DC-Build-Header: pymatgen 2025.2.18+dfsg1-4 / 2025-05-01 12:39:53 +0000 DC-Task: type:rebuild-full source:pymatgen version:2025.2.18+dfsg1-4 chroot:unstable esttime:3352 logfile:/tmp/pymatgen_2025.2.18+dfsg1-4_unstable_reverse.log modes:shuffle-reverse DC-System-Info: 8 cores (Intel(R) Xeon(R) Platinum 8175M CPU @ 2.50GHz), 32516492 kB RAM DC-Sbuild-call: su user42 -c 'SBUILD_CONFIG=/tmp/sbuildcfg.OxiCAt sbuild -n -A -s --force-orig-source --apt-update -d unstable -v --no-run-lintian pymatgen_2025.2.18+dfsg1-4' sbuild (Debian sbuild) 0.88.4~bpo12+2 (24 February 2025) on ip-10-84-234-33 +==============================================================================+ | pymatgen 2025.2.18+dfsg1-4 (amd64) Thu, 01 May 2025 12:39:54 +0000 | +==============================================================================+ Package: pymatgen Version: 2025.2.18+dfsg1-4 Source Version: 2025.2.18+dfsg1-4 Distribution: unstable Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 Build Type: full I: Unpacking /home/user42/.cache/sbuild/unstable-amd64.tar.gz to /tmp/tmp.sbuild.9wAXjaxicc... I: Setting up the chroot... I: Creating chroot session... I: Setting up log color... I: Setting up apt archive... +------------------------------------------------------------------------------+ | Update chroot Thu, 01 May 2025 12:40:03 +0000 | +------------------------------------------------------------------------------+ Hit:1 http://deb.debian.org/debian sid InRelease Reading package lists... Reading package lists... Building dependency tree... Calculating upgrade... 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. +------------------------------------------------------------------------------+ | Fetch source files Thu, 01 May 2025 12:40:06 +0000 | +------------------------------------------------------------------------------+ Check APT --------- Checking available source versions... Download source files with APT ------------------------------ Reading package lists... NOTICE: 'pymatgen' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/debichem-team/pymatgen.git Please use: git clone https://salsa.debian.org/debichem-team/pymatgen.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 9916 kB of source archives. Get:1 http://deb.debian.org/debian sid/main pymatgen 2025.2.18+dfsg1-4 (dsc) [3207 B] Get:2 http://deb.debian.org/debian sid/main pymatgen 2025.2.18+dfsg1-4 (tar) [9896 kB] Get:3 http://deb.debian.org/debian sid/main pymatgen 2025.2.18+dfsg1-4 (diff) [17.1 kB] Fetched 9916 kB in 0s (24.2 MB/s) Download complete and in download only mode +------------------------------------------------------------------------------+ | Install package build dependencies Thu, 01 May 2025 12:40:07 +0000 | +------------------------------------------------------------------------------+ Setup apt archive ----------------- Merged Build-Depends: debhelper-compat (= 13), pymatgen-test-files (>= 2025.2.18~), dh-python, dh-sequence-python3, cython3, pybuild-plugin-pyproject, python3-setuptools, python3-all-dev, python3-pytest, python3-frozendict, python3-matplotlib (>= 3.8~), python3-monty (>= 2025.1.9~), python3-networkx (>= 3~), python3-numpy (>= 1.25.0~), python3-palettable (>= 3.3.3~), python3-pandas (>= 2~), python3-plotly (>= 5.0.0~), python3-pybtex (>= 0.24.0~), python3-requests (>= 2.32~), python3-ruamel.yaml (>= 0.17.0~), python3-scipy (>= 1.13.0~), python3-spglib (>= 2.5.0~), python3-sympy (>= 1.6.2~), python3-tabulate (>= 0.9~), python3-tqdm (>= 4.60~), python3-uncertainties (>= 3.1.4~), python3-joblib (>= 1~), python3-ase (>= 3.23.0~), python3-bs4 (>= 4.9.1~), python3-vtk9 | python3-paraview, python3-h5py (>= 3.11.0~), python3-netcdf4 (>= 1.6.5~), python3-phonopy (>= 2.33.3~), python3-openbabel (>= 3.1.1~), packmol, build-essential, dh-sequence-sphinxdoc, libjs-jquery, libjs-mathjax, python3-sphinx-rtd-theme Filtered Build-Depends: debhelper-compat (= 13), pymatgen-test-files (>= 2025.2.18~), dh-python, dh-sequence-python3, cython3, pybuild-plugin-pyproject, python3-setuptools, python3-all-dev, python3-pytest, python3-frozendict, python3-matplotlib (>= 3.8~), python3-monty (>= 2025.1.9~), python3-networkx (>= 3~), python3-numpy (>= 1.25.0~), python3-palettable (>= 3.3.3~), python3-pandas (>= 2~), python3-plotly (>= 5.0.0~), python3-pybtex (>= 0.24.0~), python3-requests (>= 2.32~), python3-ruamel.yaml (>= 0.17.0~), python3-scipy (>= 1.13.0~), python3-spglib (>= 2.5.0~), python3-sympy (>= 1.6.2~), python3-tabulate (>= 0.9~), python3-tqdm (>= 4.60~), python3-uncertainties (>= 3.1.4~), python3-joblib (>= 1~), python3-ase (>= 3.23.0~), python3-bs4 (>= 4.9.1~), python3-vtk9, python3-h5py (>= 3.11.0~), python3-netcdf4 (>= 1.6.5~), python3-phonopy (>= 2.33.3~), python3-openbabel (>= 3.1.1~), packmol, build-essential, dh-sequence-sphinxdoc, libjs-jquery, libjs-mathjax, python3-sphinx-rtd-theme dpkg-deb: building package 'sbuild-build-depends-main-dummy' in '/build/reproducible-path/resolver-50Zkt0/apt_archive/sbuild-build-depends-main-dummy.deb'. Ign:1 copy:/build/reproducible-path/resolver-50Zkt0/apt_archive ./ InRelease Get:2 copy:/build/reproducible-path/resolver-50Zkt0/apt_archive ./ Release [615 B] Ign:3 copy:/build/reproducible-path/resolver-50Zkt0/apt_archive ./ Release.gpg Get:4 copy:/build/reproducible-path/resolver-50Zkt0/apt_archive ./ Sources [1649 B] Get:5 copy:/build/reproducible-path/resolver-50Zkt0/apt_archive ./ Packages [1571 B] Fetched 3835 B in 0s (348 kB/s) Reading package lists... Reading package lists... Install main build dependencies (apt-based resolver) ---------------------------------------------------- Installing build dependencies Reading package lists... Building dependency tree... The following additional packages will be installed: adduser autoconf automake autopoint autotools-dev blt bsdextrautils ca-certificates cython3 debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common dwz file fontconfig fontconfig-config fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome fonts-glyphicons-halflings fonts-lato fonts-lyx fonts-mathjax gettext gettext-base groff-base ibverbs-providers intltool-debian libaec0 libamd-comgr2 libamdhip64-5 libarchive-zip-perl libblas3 libboost-iostreams1.83.0 libbrotli1 libcairo2 libcbor0.10 libcom-err2 libcurl3t64-gnutls libcurl4t64 libdbus-1-3 libdebhelper-perl libdeflate0 libdouble-conversion3 libdrm-amdgpu1 libdrm-common libdrm-intel1 libdrm2 libedit2 libegl-mesa0 libegl1 libelf1t64 libevdev2 libevent-core-2.1-7t64 libevent-pthreads-2.1-7t64 libexpat1 libexpat1-dev libfabric1 libffi8 libfido2-1 libfile-stripnondeterminism-perl libfontconfig1 libfreetype6 libfribidi0 libfuse3-4 libgbm1 libgcrypt20 libgfortran5 libgl1 libgl1-mesa-dri libgl2ps1.4 libglew2.2 libglib2.0-0t64 libglvnd0 libglx-mesa0 libglx0 libgnutls30t64 libgpg-error0 libgraphite2-3 libgssapi-krb5-2 libgudev-1.0-0 libharfbuzz0b libhdf5-310 libhdf5-hl-310 libhsa-runtime64-1 libhsakmt1 libhwloc-plugins libhwloc15 libibmad5 libibumad3 libibverbs1 libice6 libicu76 libidn2-0 libimagequant0 libinchi1.07 libinput-bin libinput10 libjbig0 libjpeg62-turbo libjs-bootstrap libjs-jquery libjs-jquery-ui libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-perl libjsoncpp26 libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack3 liblcms2-2 libldap2 liblerc4 libllvm17t64 libllvm19 liblzf1 libmaeparser1 libmagic-mgc libmagic1t64 libmd4c0 libmtdev1t64 libmunge2 libncursesw6 libnetcdf22 libnghttp2-14 libnghttp3-9 libngtcp2-16 libngtcp2-crypto-gnutls8 libnl-3-200 libnl-route-3-200 libnuma1 libogg0 libopenbabel7 libopengl0 libopenjp2-7 libopenmpi40 libp11-kit0 libpciaccess0 libpcre2-16-0 libpipeline1 libpixman-1-0 libpmix2t64 libpng16-16t64 libproc2-0 libproj25 libpsl5t64 libpsm2-2 libpython3-all-dev libpython3-dev libpython3-stdlib libpython3.13 libpython3.13-dev libpython3.13-minimal libpython3.13-stdlib libqhull-r8.0 libqt5core5t64 libqt5dbus5t64 libqt5gui5t64 libqt5network5t64 libqt5widgets5t64 libraqm0 librdmacm1t64 libreadline8t64 librtmp1 libsasl2-2 libsasl2-modules-db libsensors-config libsensors5 libsharpyuv0 libsm6 libssh2-1t64 libsymspg2 libsz2 libtasn1-6 libtbb12 libtbbbind-2-5 libtbbmalloc2 libtcl8.6 libtheoradec1 libtheoraenc1 libtiff6 libtk8.6 libtool libuchardet0 libucx0 libunistring5 libvtk9.3 libvtk9.3-qt libvulkan1 libwacom-common libwacom9 libwayland-client0 libwayland-server0 libwebp7 libwebpdemux2 libwebpmux3 libx11-6 libx11-data libx11-xcb1 libxau6 libxcb-dri3-0 libxcb-glx0 libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-present0 libxcb-randr0 libxcb-render-util0 libxcb-render0 libxcb-shape0 libxcb-shm0 libxcb-sync1 libxcb-util1 libxcb-xfixes0 libxcb-xinerama0 libxcb-xinput0 libxcb-xkb1 libxcb1 libxdmcp6 libxext6 libxft2 libxkbcommon-x11-0 libxkbcommon0 libxml2 libxnvctrl0 libxrender1 libxshmfence1 libxslt1.1 libxss1 libxxf86vm1 libyaml-0-2 libz3-4 libzopfli1 m4 man-db media-types mesa-libgallium mpi-default-bin netbase ocl-icd-libopencl1 openmpi-bin openmpi-common openssh-client openssl packmol po-debconf procps proj-data pybuild-plugin-pyproject pymatgen-test-files python-babel-localedata python-matplotlib-data python3 python3-alabaster python3-all python3-all-dev python3-annotated-types python3-ase python3-attr python3-autocommand python3-babel python3-brotli python3-bs4 python3-bson python3-build python3-certifi python3-cftime python3-chardet python3-charset-normalizer python3-contourpy python3-cycler python3-dateutil python3-decorator python3-defusedxml python3-dev python3-dnspython python3-docutils python3-email-validator python3-fastjsonschema python3-fonttools python3-frozendict python3-fs python3-h5py python3-h5py-serial python3-idna python3-imagesize python3-inflect python3-iniconfig python3-installer python3-jaraco.context python3-jaraco.functools python3-jaraco.text python3-jinja2 python3-joblib python3-jsonschema python3-jsonschema-specifications python3-jupyter-core python3-kiwisolver python3-latexcodec python3-lxml python3-lz4 python3-markupsafe python3-matplotlib python3-minimal python3-monty python3-more-itertools python3-mpi4py python3-mpmath python3-nbformat python3-netcdf4 python3-networkx python3-numpy python3-numpy-dev python3-openbabel python3-packaging python3-palettable python3-pandas python3-pandas-lib python3-phonopy python3-pil python3-pil.imagetk python3-pkg-resources python3-platformdirs python3-plotly python3-pluggy python3-pybtex python3-pydantic python3-pydantic-core python3-pygments python3-pyparsing python3-pyproject-hooks python3-pytest python3-pytz python3-referencing python3-requests python3-roman python3-rpds-py python3-ruamel.yaml python3-ruamel.yaml.clib python3-scipy python3-setuptools python3-six python3-snowballstemmer python3-soupsieve python3-spglib python3-sphinx python3-sphinx-rtd-theme python3-sphinxcontrib.jquery python3-sympy python3-tabulate python3-tenacity python3-tk python3-toml python3-tqdm python3-traitlets python3-typeguard python3-typing-extensions python3-tz python3-ufolib2 python3-uncertainties python3-urllib3 python3-vtk9 python3-wheel python3-yaml python3-zipp python3-zopfli python3.13 python3.13-dev python3.13-minimal python3.13-tk readline-common sensible-utils sgml-base shared-mime-info sphinx-common sphinx-rtd-theme-common tk8.6-blt2.5 unicode-data x11-common xkb-data xml-core zlib1g-dev Suggested packages: liblocale-gettext-perl cron quota autoconf-archive gnu-standards autoconf-doc blt-demo cython-doc dh-make flit gettext-doc libasprintf-dev libgettextpo-dev gnulib-l10n groff fuse3 rng-tools glew-utils low-memory-monitor gnutls-bin krb5-doc krb5-user libhwloc-contrib-plugins libjs-jquery-ui-docs fonts-mathjax-extras fonts-stix libjs-mathjax-doc liblcms2-utils pciutils proj-bin libthai0 qgnomeplatform-qt5 qt5-image-formats-plugins lm-sensors tcl8.6 tk8.6 libtool-doc gfortran | fortran95-compiler gcj-jdk vtk9-doc vtk9-examples libwacom-bin m4-doc apparmor less www-browser opencl-icd gfortran | fortran-compiler keychain libpam-ssh monkeysphere ssh-askpass libmail-box-perl python3-doc python3-venv python-ase-doc python3-pycodcif python-attr-doc python3-pip python-build-doc python-charset-normalizer-doc python-cycler-doc python3-trio python3-aioquic docutils-doc fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french texlive-latex-base texlive-latex-recommended python-fastjsonschema-doc python-h5py-doc python-installer-doc python-jinja2-doc python-joblib-doc python-jsonschema-doc python-jupyter-core-doc python-latexcodec-doc python-lxml-doc cm-super-minimal dvipng ffmpeg fonts-staypuft ghostscript gir1.2-gtk-3.0 gir1.2-gtk-4.0 inkscape ipython3 librsvg2-common python-matplotlib-doc python3-cairocffi python3-gi python3-gi-cairo python3-gobject python3-pyqt5 python3-sip python3-tornado texlive-extra-utils texlive-latex-extra python-mpmath-doc python3-gmpy2 gfortran python-numpy-doc python-pandas-doc python3-statsmodels python-pil-doc python3-ipykernel python-pybtex-doc python-pygments-doc ttf-bitstream-vera python-pyparsing-doc python3-cryptography python3-openssl python3-socks python-requests-doc python-scipy-doc python-setuptools-doc python3-stemmer dvisvgm fonts-freefont-otf imagemagick latexmk node-mathjax-full sphinx-doc tex-gyre texlive-fonts-extra texlive-fonts-recommended texlive-plain-generic python-sympy-doc python-tenacity-doc tix python3-tk-dbg python-traitlets-doc python-uncertainties-doc mayavi2 python3.13-venv python3.13-doc binfmt-support readline-doc sgml-base-doc Recommended packages: curl | wget | lynx dbus libarchive-cpio-perl libglib2.0-data xdg-user-dirs libgpg-error-l10n javascript-common libjson-xs-perl krb5-locales libldap-common libgpm2 publicsuffix qttranslations5-l10n libqt5svg5 qt5-gtk-platformtheme qtwayland5 libsasl2-modules libltdl-dev mesa-vulkan-drivers | vulkan-icd xauth tcl libmail-sendmail-perl psmisc linux-sysctl-defaults python3-pymatgen python3-bson-ext python3-cryptography python3-h2 python3-httpcore python3-httpx libpaper-utils python3-psutil python3-fqdn python3-isoduration python3-json-pointer python3-rfc3339-validator python3-rfc3986-validator python3-rfc3987 python3-uritemplate python3-webcolors python3-cssselect python3-html5lib python-monty-doc python3-torch python3-gdal python3-pydot python3-pygraphviz python3-bottleneck python3-numexpr python3-odf python3-openpyxl python3-tables python3-numba python3-olefile python3-pooch isympy-common The following NEW packages will be installed: adduser autoconf automake autopoint autotools-dev blt bsdextrautils ca-certificates cython3 debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common dwz file fontconfig fontconfig-config fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome fonts-glyphicons-halflings fonts-lato fonts-lyx fonts-mathjax gettext gettext-base groff-base ibverbs-providers intltool-debian libaec0 libamd-comgr2 libamdhip64-5 libarchive-zip-perl libblas3 libboost-iostreams1.83.0 libbrotli1 libcairo2 libcbor0.10 libcom-err2 libcurl3t64-gnutls libcurl4t64 libdbus-1-3 libdebhelper-perl libdeflate0 libdouble-conversion3 libdrm-amdgpu1 libdrm-common libdrm-intel1 libdrm2 libedit2 libegl-mesa0 libegl1 libelf1t64 libevdev2 libevent-core-2.1-7t64 libevent-pthreads-2.1-7t64 libexpat1 libexpat1-dev libfabric1 libffi8 libfido2-1 libfile-stripnondeterminism-perl libfontconfig1 libfreetype6 libfribidi0 libfuse3-4 libgbm1 libgcrypt20 libgfortran5 libgl1 libgl1-mesa-dri libgl2ps1.4 libglew2.2 libglib2.0-0t64 libglvnd0 libglx-mesa0 libglx0 libgnutls30t64 libgpg-error0 libgraphite2-3 libgssapi-krb5-2 libgudev-1.0-0 libharfbuzz0b libhdf5-310 libhdf5-hl-310 libhsa-runtime64-1 libhsakmt1 libhwloc-plugins libhwloc15 libibmad5 libibumad3 libibverbs1 libice6 libicu76 libidn2-0 libimagequant0 libinchi1.07 libinput-bin libinput10 libjbig0 libjpeg62-turbo libjs-bootstrap libjs-jquery libjs-jquery-ui libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-perl libjsoncpp26 libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack3 liblcms2-2 libldap2 liblerc4 libllvm17t64 libllvm19 liblzf1 libmaeparser1 libmagic-mgc libmagic1t64 libmd4c0 libmtdev1t64 libmunge2 libncursesw6 libnetcdf22 libnghttp2-14 libnghttp3-9 libngtcp2-16 libngtcp2-crypto-gnutls8 libnl-3-200 libnl-route-3-200 libnuma1 libogg0 libopenbabel7 libopengl0 libopenjp2-7 libopenmpi40 libp11-kit0 libpciaccess0 libpcre2-16-0 libpipeline1 libpixman-1-0 libpmix2t64 libpng16-16t64 libproc2-0 libproj25 libpsl5t64 libpsm2-2 libpython3-all-dev libpython3-dev libpython3-stdlib libpython3.13 libpython3.13-dev libpython3.13-minimal libpython3.13-stdlib libqhull-r8.0 libqt5core5t64 libqt5dbus5t64 libqt5gui5t64 libqt5network5t64 libqt5widgets5t64 libraqm0 librdmacm1t64 libreadline8t64 librtmp1 libsasl2-2 libsasl2-modules-db libsensors-config libsensors5 libsharpyuv0 libsm6 libssh2-1t64 libsymspg2 libsz2 libtasn1-6 libtbb12 libtbbbind-2-5 libtbbmalloc2 libtcl8.6 libtheoradec1 libtheoraenc1 libtiff6 libtk8.6 libtool libuchardet0 libucx0 libunistring5 libvtk9.3 libvtk9.3-qt libvulkan1 libwacom-common libwacom9 libwayland-client0 libwayland-server0 libwebp7 libwebpdemux2 libwebpmux3 libx11-6 libx11-data libx11-xcb1 libxau6 libxcb-dri3-0 libxcb-glx0 libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-present0 libxcb-randr0 libxcb-render-util0 libxcb-render0 libxcb-shape0 libxcb-shm0 libxcb-sync1 libxcb-util1 libxcb-xfixes0 libxcb-xinerama0 libxcb-xinput0 libxcb-xkb1 libxcb1 libxdmcp6 libxext6 libxft2 libxkbcommon-x11-0 libxkbcommon0 libxml2 libxnvctrl0 libxrender1 libxshmfence1 libxslt1.1 libxss1 libxxf86vm1 libyaml-0-2 libz3-4 libzopfli1 m4 man-db media-types mesa-libgallium mpi-default-bin netbase ocl-icd-libopencl1 openmpi-bin openmpi-common openssh-client openssl packmol po-debconf procps proj-data pybuild-plugin-pyproject pymatgen-test-files python-babel-localedata python-matplotlib-data python3 python3-alabaster python3-all python3-all-dev python3-annotated-types python3-ase python3-attr python3-autocommand python3-babel python3-brotli python3-bs4 python3-bson python3-build python3-certifi python3-cftime python3-chardet python3-charset-normalizer python3-contourpy python3-cycler python3-dateutil python3-decorator python3-defusedxml python3-dev python3-dnspython python3-docutils python3-email-validator python3-fastjsonschema python3-fonttools python3-frozendict python3-fs python3-h5py python3-h5py-serial python3-idna python3-imagesize python3-inflect python3-iniconfig python3-installer python3-jaraco.context python3-jaraco.functools python3-jaraco.text python3-jinja2 python3-joblib python3-jsonschema python3-jsonschema-specifications python3-jupyter-core python3-kiwisolver python3-latexcodec python3-lxml python3-lz4 python3-markupsafe python3-matplotlib python3-minimal python3-monty python3-more-itertools python3-mpi4py python3-mpmath python3-nbformat python3-netcdf4 python3-networkx python3-numpy python3-numpy-dev python3-openbabel python3-packaging python3-palettable python3-pandas python3-pandas-lib python3-phonopy python3-pil python3-pil.imagetk python3-pkg-resources python3-platformdirs python3-plotly python3-pluggy python3-pybtex python3-pydantic python3-pydantic-core python3-pygments python3-pyparsing python3-pyproject-hooks python3-pytest python3-pytz python3-referencing python3-requests python3-roman python3-rpds-py python3-ruamel.yaml python3-ruamel.yaml.clib python3-scipy python3-setuptools python3-six python3-snowballstemmer python3-soupsieve python3-spglib python3-sphinx python3-sphinx-rtd-theme python3-sphinxcontrib.jquery python3-sympy python3-tabulate python3-tenacity python3-tk python3-toml python3-tqdm python3-traitlets python3-typeguard python3-typing-extensions python3-tz python3-ufolib2 python3-uncertainties python3-urllib3 python3-vtk9 python3-wheel python3-yaml python3-zipp python3-zopfli python3.13 python3.13-dev python3.13-minimal python3.13-tk readline-common sbuild-build-depends-main-dummy sensible-utils sgml-base shared-mime-info sphinx-common sphinx-rtd-theme-common tk8.6-blt2.5 unicode-data x11-common xkb-data xml-core zlib1g-dev 0 upgraded, 388 newly installed, 0 to remove and 0 not upgraded. Need to get 555 MB of archives. After this operation, 2178 MB of additional disk space will be used. Get:1 copy:/build/reproducible-path/resolver-50Zkt0/apt_archive ./ sbuild-build-depends-main-dummy 0.invalid.0 [1208 B] Get:2 http://deb.debian.org/debian sid/main amd64 fonts-lato all 2.015-1 [2780 kB] Get:3 http://deb.debian.org/debian sid/main amd64 libpython3.13-minimal amd64 3.13.3-2 [861 kB] Get:4 http://deb.debian.org/debian sid/main amd64 libexpat1 amd64 2.7.1-1 [108 kB] Get:5 http://deb.debian.org/debian sid/main amd64 python3.13-minimal amd64 3.13.3-2 [2212 kB] Get:6 http://deb.debian.org/debian sid/main amd64 python3-minimal amd64 3.13.3-1 [27.2 kB] Get:7 http://deb.debian.org/debian sid/main amd64 media-types all 13.0.0 [29.3 kB] Get:8 http://deb.debian.org/debian sid/main amd64 netbase all 6.5 [12.4 kB] Get:9 http://deb.debian.org/debian sid/main amd64 libffi8 amd64 3.4.8-2 [24.1 kB] Get:10 http://deb.debian.org/debian sid/main amd64 libncursesw6 amd64 6.5+20250216-2 [135 kB] Get:11 http://deb.debian.org/debian sid/main amd64 readline-common all 8.2-6 [69.4 kB] Get:12 http://deb.debian.org/debian sid/main amd64 libreadline8t64 amd64 8.2-6 [169 kB] Get:13 http://deb.debian.org/debian sid/main amd64 libpython3.13-stdlib amd64 3.13.3-2 [1953 kB] Get:14 http://deb.debian.org/debian sid/main amd64 python3.13 amd64 3.13.3-2 [751 kB] Get:15 http://deb.debian.org/debian sid/main amd64 libpython3-stdlib amd64 3.13.3-1 [10.2 kB] Get:16 http://deb.debian.org/debian sid/main amd64 python3 amd64 3.13.3-1 [28.2 kB] Get:17 http://deb.debian.org/debian sid/main amd64 python3-numpy-dev amd64 1:2.2.4+ds-1 [139 kB] Get:18 http://deb.debian.org/debian sid/main amd64 libblas3 amd64 3.12.1-2 [160 kB] Get:19 http://deb.debian.org/debian sid/main amd64 libgfortran5 amd64 14.2.0-19 [836 kB] Get:20 http://deb.debian.org/debian sid/main amd64 liblapack3 amd64 3.12.1-2 [2452 kB] Get:21 http://deb.debian.org/debian sid/main amd64 python3-numpy amd64 1:2.2.4+ds-1 [5096 kB] Get:22 http://deb.debian.org/debian sid/main amd64 adduser all 3.150 [187 kB] Get:23 http://deb.debian.org/debian sid/main amd64 libproc2-0 amd64 2:4.0.4-8 [65.4 kB] Get:24 http://deb.debian.org/debian sid/main amd64 procps amd64 2:4.0.4-8 [881 kB] Get:25 http://deb.debian.org/debian sid/main amd64 sensible-utils all 0.0.25 [25.0 kB] Get:26 http://deb.debian.org/debian sid/main amd64 openssl amd64 3.5.0-1 [1491 kB] Get:27 http://deb.debian.org/debian sid/main amd64 ca-certificates all 20250419 [162 kB] Get:28 http://deb.debian.org/debian sid/main amd64 libmagic-mgc amd64 1:5.46-5 [338 kB] Get:29 http://deb.debian.org/debian sid/main amd64 libmagic1t64 amd64 1:5.46-5 [109 kB] Get:30 http://deb.debian.org/debian sid/main amd64 file amd64 1:5.46-5 [43.6 kB] Get:31 http://deb.debian.org/debian sid/main amd64 gettext-base amd64 0.23.1-2 [243 kB] Get:32 http://deb.debian.org/debian sid/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get:33 http://deb.debian.org/debian sid/main amd64 groff-base amd64 1.23.0-7 [1185 kB] Get:34 http://deb.debian.org/debian sid/main amd64 bsdextrautils amd64 2.41-4 [94.6 kB] Get:35 http://deb.debian.org/debian sid/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get:36 http://deb.debian.org/debian sid/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get:37 http://deb.debian.org/debian sid/main amd64 libedit2 amd64 3.1-20250104-1 [93.8 kB] Get:38 http://deb.debian.org/debian sid/main amd64 libcbor0.10 amd64 0.10.2-2 [28.3 kB] Get:39 http://deb.debian.org/debian sid/main amd64 libfido2-1 amd64 1.15.0-1+b1 [78.7 kB] Get:40 http://deb.debian.org/debian sid/main amd64 libkrb5support0 amd64 1.21.3-5 [33.0 kB] Get:41 http://deb.debian.org/debian sid/main amd64 libcom-err2 amd64 1.47.2-1+b1 [24.3 kB] Get:42 http://deb.debian.org/debian sid/main amd64 libk5crypto3 amd64 1.21.3-5 [81.5 kB] Get:43 http://deb.debian.org/debian sid/main amd64 libkeyutils1 amd64 1.6.3-6 [9456 B] Get:44 http://deb.debian.org/debian sid/main amd64 libkrb5-3 amd64 1.21.3-5 [326 kB] Get:45 http://deb.debian.org/debian sid/main amd64 libgssapi-krb5-2 amd64 1.21.3-5 [138 kB] Get:46 http://deb.debian.org/debian sid/main amd64 openssh-client amd64 1:10.0p1-2 [985 kB] Get:47 http://deb.debian.org/debian sid/main amd64 m4 amd64 1.4.19-8 [294 kB] Get:48 http://deb.debian.org/debian sid/main amd64 autoconf all 2.72-3.1 [494 kB] Get:49 http://deb.debian.org/debian sid/main amd64 autotools-dev all 20240727.1 [60.2 kB] Get:50 http://deb.debian.org/debian sid/main amd64 automake all 1:1.17-4 [862 kB] Get:51 http://deb.debian.org/debian sid/main amd64 autopoint all 0.23.1-2 [770 kB] Get:52 http://deb.debian.org/debian sid/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1042 kB] Get:53 http://deb.debian.org/debian sid/main amd64 libbrotli1 amd64 1.1.0-2+b7 [307 kB] Get:54 http://deb.debian.org/debian sid/main amd64 libpng16-16t64 amd64 1.6.47-1.1 [282 kB] Get:55 http://deb.debian.org/debian sid/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get:56 http://deb.debian.org/debian sid/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get:57 http://deb.debian.org/debian sid/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get:58 http://deb.debian.org/debian sid/main amd64 fontconfig-config amd64 2.15.0-2.3 [318 kB] Get:59 http://deb.debian.org/debian sid/main amd64 libfontconfig1 amd64 2.15.0-2.3 [392 kB] Get:60 http://deb.debian.org/debian sid/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get:61 http://deb.debian.org/debian sid/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get:62 http://deb.debian.org/debian sid/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get:63 http://deb.debian.org/debian sid/main amd64 libx11-data all 2:1.8.12-1 [343 kB] Get:64 http://deb.debian.org/debian sid/main amd64 libx11-6 amd64 2:1.8.12-1 [815 kB] Get:65 http://deb.debian.org/debian sid/main amd64 libxrender1 amd64 1:0.9.12-1 [27.9 kB] Get:66 http://deb.debian.org/debian sid/main amd64 libxft2 amd64 2.3.6-1+b4 [54.5 kB] Get:67 http://deb.debian.org/debian sid/main amd64 libxext6 amd64 2:1.3.4-1+b3 [50.4 kB] Get:68 http://deb.debian.org/debian sid/main amd64 x11-common all 1:7.7+24 [217 kB] Get:69 http://deb.debian.org/debian sid/main amd64 libxss1 amd64 1:1.2.3-1+b3 [17.0 kB] Get:70 http://deb.debian.org/debian sid/main amd64 libtk8.6 amd64 8.6.16-1 [793 kB] Get:71 http://deb.debian.org/debian sid/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-8 [591 kB] Get:72 http://deb.debian.org/debian sid/main amd64 blt amd64 2.5.3+dfsg-8 [5984 B] Get:73 http://deb.debian.org/debian sid/main amd64 cython3 amd64 3.0.11+dfsg-2+b1 [2504 kB] Get:74 http://deb.debian.org/debian sid/main amd64 libdebhelper-perl all 13.24.2 [90.9 kB] Get:75 http://deb.debian.org/debian sid/main amd64 libtool all 2.5.4-4 [539 kB] Get:76 http://deb.debian.org/debian sid/main amd64 dh-autoreconf all 20 [17.1 kB] Get:77 http://deb.debian.org/debian sid/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get:78 http://deb.debian.org/debian sid/main amd64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get:79 http://deb.debian.org/debian sid/main amd64 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get:80 http://deb.debian.org/debian sid/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get:81 http://deb.debian.org/debian sid/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get:82 http://deb.debian.org/debian sid/main amd64 libunistring5 amd64 1.3-2 [477 kB] Get:83 http://deb.debian.org/debian sid/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.4 [698 kB] Get:84 http://deb.debian.org/debian sid/main amd64 gettext amd64 0.23.1-2 [1680 kB] Get:85 http://deb.debian.org/debian sid/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get:86 http://deb.debian.org/debian sid/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get:87 http://deb.debian.org/debian sid/main amd64 debhelper all 13.24.2 [919 kB] Get:88 http://deb.debian.org/debian sid/main amd64 dh-python all 6.20250414 [116 kB] Get:89 http://deb.debian.org/debian sid/main amd64 sgml-base all 1.31+nmu1 [10.9 kB] Get:90 http://deb.debian.org/debian sid/main amd64 xml-core all 0.19 [20.1 kB] Get:91 http://deb.debian.org/debian sid/main amd64 docutils-common all 0.21.2+dfsg-2 [128 kB] Get:92 http://deb.debian.org/debian sid/main amd64 fontconfig amd64 2.15.0-2.3 [463 kB] Get:93 http://deb.debian.org/debian sid/main amd64 fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [517 kB] Get:94 http://deb.debian.org/debian sid/main amd64 fonts-glyphicons-halflings all 1.009~3.4.1+dfsg-4 [163 kB] Get:95 http://deb.debian.org/debian sid/main amd64 fonts-lyx all 2.4.3-1 [190 kB] Get:96 http://deb.debian.org/debian sid/main amd64 fonts-mathjax all 2.7.9+dfsg-1 [2210 kB] Get:97 http://deb.debian.org/debian sid/main amd64 libnl-3-200 amd64 3.7.0-2 [59.4 kB] Get:98 http://deb.debian.org/debian sid/main amd64 libnl-route-3-200 amd64 3.7.0-2 [182 kB] Get:99 http://deb.debian.org/debian sid/main amd64 libibverbs1 amd64 56.1-1 [62.4 kB] Get:100 http://deb.debian.org/debian sid/main amd64 ibverbs-providers amd64 56.1-1 [357 kB] Get:101 http://deb.debian.org/debian sid/main amd64 libaec0 amd64 1.1.3-1+b1 [23.8 kB] Get:102 http://deb.debian.org/debian sid/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB] Get:103 http://deb.debian.org/debian sid/main amd64 libllvm17t64 amd64 1:17.0.6-21+b1 [23.6 MB] Get:104 http://deb.debian.org/debian sid/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b2 [13.0 MB] Get:105 http://deb.debian.org/debian sid/main amd64 libdrm-common all 2.4.124-2 [8288 B] Get:106 http://deb.debian.org/debian sid/main amd64 libdrm2 amd64 2.4.124-2 [39.0 kB] Get:107 http://deb.debian.org/debian sid/main amd64 libdrm-amdgpu1 amd64 2.4.124-2 [22.6 kB] Get:108 http://deb.debian.org/debian sid/main amd64 libnuma1 amd64 2.0.19-1 [22.2 kB] Get:109 http://deb.debian.org/debian sid/main amd64 libhsakmt1 amd64 6.2.4+ds-1 [61.1 kB] Get:110 http://deb.debian.org/debian sid/main amd64 libhsa-runtime64-1 amd64 6.1.2-3 [535 kB] Get:111 http://deb.debian.org/debian sid/main amd64 libamdhip64-5 amd64 5.7.1-5.1 [8922 kB] Get:112 http://deb.debian.org/debian sid/main amd64 libboost-iostreams1.83.0 amd64 1.83.0-4.2 [254 kB] Get:113 http://deb.debian.org/debian sid/main amd64 libpixman-1-0 amd64 0.44.0-3 [248 kB] Get:114 http://deb.debian.org/debian sid/main amd64 libxcb-render0 amd64 1.17.0-2+b1 [115 kB] Get:115 http://deb.debian.org/debian sid/main amd64 libxcb-shm0 amd64 1.17.0-2+b1 [105 kB] Get:116 http://deb.debian.org/debian sid/main amd64 libcairo2 amd64 1.18.4-1+b1 [538 kB] Get:117 http://deb.debian.org/debian sid/main amd64 libidn2-0 amd64 2.3.8-2 [109 kB] Get:118 http://deb.debian.org/debian sid/main amd64 libp11-kit0 amd64 0.25.5-3 [425 kB] Get:119 http://deb.debian.org/debian sid/main amd64 libtasn1-6 amd64 4.20.0-2 [49.9 kB] Get:120 http://deb.debian.org/debian sid/main amd64 libgnutls30t64 amd64 3.8.9-2 [1464 kB] Get:121 http://deb.debian.org/debian sid/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-9 [19.8 kB] Get:122 http://deb.debian.org/debian sid/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-9 [57.5 kB] Get:123 http://deb.debian.org/debian sid/main amd64 libldap2 amd64 2.6.9+dfsg-2 [194 kB] Get:124 http://deb.debian.org/debian sid/main amd64 libnghttp2-14 amd64 1.64.0-1.1 [76.0 kB] Get:125 http://deb.debian.org/debian sid/main amd64 libnghttp3-9 amd64 1.8.0-1 [67.7 kB] Get:126 http://deb.debian.org/debian sid/main amd64 libngtcp2-16 amd64 1.11.0-1 [131 kB] Get:127 http://deb.debian.org/debian sid/main amd64 libngtcp2-crypto-gnutls8 amd64 1.11.0-1 [29.3 kB] Get:128 http://deb.debian.org/debian sid/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB] Get:129 http://deb.debian.org/debian sid/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB] Get:130 http://deb.debian.org/debian sid/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB] Get:131 http://deb.debian.org/debian sid/main amd64 libcurl3t64-gnutls amd64 8.13.0-5 [375 kB] Get:132 http://deb.debian.org/debian sid/main amd64 libcurl4t64 amd64 8.13.0-5 [382 kB] Get:133 http://deb.debian.org/debian sid/main amd64 libdbus-1-3 amd64 1.16.2-2 [178 kB] Get:134 http://deb.debian.org/debian sid/main amd64 libdeflate0 amd64 1.23-2 [47.3 kB] Get:135 http://deb.debian.org/debian sid/main amd64 libdouble-conversion3 amd64 3.3.1-1 [41.8 kB] Get:136 http://deb.debian.org/debian sid/main amd64 libpciaccess0 amd64 0.17-3+b3 [51.9 kB] Get:137 http://deb.debian.org/debian sid/main amd64 libdrm-intel1 amd64 2.4.124-2 [64.1 kB] Get:138 http://deb.debian.org/debian sid/main amd64 libwayland-server0 amd64 1.23.1-3 [34.4 kB] Get:139 http://deb.debian.org/debian sid/main amd64 libllvm19 amd64 1:19.1.7-3 [26.0 MB] Get:140 http://deb.debian.org/debian sid/main amd64 libsensors-config all 1:3.6.2-2 [16.2 kB] Get:141 http://deb.debian.org/debian sid/main amd64 libsensors5 amd64 1:3.6.2-2 [37.5 kB] Get:142 http://deb.debian.org/debian sid/main amd64 libx11-xcb1 amd64 2:1.8.12-1 [247 kB] Get:143 http://deb.debian.org/debian sid/main amd64 libxcb-dri3-0 amd64 1.17.0-2+b1 [107 kB] Get:144 http://deb.debian.org/debian sid/main amd64 libxcb-present0 amd64 1.17.0-2+b1 [106 kB] Get:145 http://deb.debian.org/debian sid/main amd64 libxcb-randr0 amd64 1.17.0-2+b1 [117 kB] Get:146 http://deb.debian.org/debian sid/main amd64 libxcb-sync1 amd64 1.17.0-2+b1 [109 kB] Get:147 http://deb.debian.org/debian sid/main amd64 libxcb-xfixes0 amd64 1.17.0-2+b1 [109 kB] Get:148 http://deb.debian.org/debian sid/main amd64 libxshmfence1 amd64 1.3.3-1 [10.9 kB] Get:149 http://deb.debian.org/debian sid/main amd64 mesa-libgallium amd64 25.0.4-1 [9625 kB] Get:150 http://deb.debian.org/debian sid/main amd64 libgbm1 amd64 25.0.4-1 [44.1 kB] Get:151 http://deb.debian.org/debian sid/main amd64 libwayland-client0 amd64 1.23.1-3 [26.8 kB] Get:152 http://deb.debian.org/debian sid/main amd64 libegl-mesa0 amd64 25.0.4-1 [128 kB] Get:153 http://deb.debian.org/debian sid/main amd64 libevdev2 amd64 1.13.4+dfsg-1 [32.4 kB] Get:154 http://deb.debian.org/debian sid/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10+b1 [132 kB] Get:155 http://deb.debian.org/debian sid/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10+b1 [54.3 kB] Get:156 http://deb.debian.org/debian sid/main amd64 libexpat1-dev amd64 2.7.1-1 [161 kB] Get:157 http://deb.debian.org/debian sid/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get:158 http://deb.debian.org/debian sid/main amd64 librdmacm1t64 amd64 56.1-1 [70.4 kB] Get:159 http://deb.debian.org/debian sid/main amd64 libfabric1 amd64 2.1.0-1 [706 kB] Get:160 http://deb.debian.org/debian sid/main amd64 libfribidi0 amd64 1.0.16-1 [26.5 kB] Get:161 http://deb.debian.org/debian sid/main amd64 libfuse3-4 amd64 3.17.1+git250416-1 [98.1 kB] Get:162 http://deb.debian.org/debian sid/main amd64 libgpg-error0 amd64 1.51-4 [82.1 kB] Get:163 http://deb.debian.org/debian sid/main amd64 libgcrypt20 amd64 1.11.0-7 [843 kB] Get:164 http://deb.debian.org/debian sid/main amd64 libglvnd0 amd64 1.7.0-1+b2 [52.0 kB] Get:165 http://deb.debian.org/debian sid/main amd64 libxcb-glx0 amd64 1.17.0-2+b1 [122 kB] Get:166 http://deb.debian.org/debian sid/main amd64 libxxf86vm1 amd64 1:1.1.4-1+b4 [19.3 kB] Get:167 http://deb.debian.org/debian sid/main amd64 libvulkan1 amd64 1.4.309.0-1 [130 kB] Get:168 http://deb.debian.org/debian sid/main amd64 libgl1-mesa-dri amd64 25.0.4-1 [45.7 kB] Get:169 http://deb.debian.org/debian sid/main amd64 libglx-mesa0 amd64 25.0.4-1 [143 kB] Get:170 http://deb.debian.org/debian sid/main amd64 libglx0 amd64 1.7.0-1+b2 [34.9 kB] Get:171 http://deb.debian.org/debian sid/main amd64 libgl1 amd64 1.7.0-1+b2 [89.5 kB] Get:172 http://deb.debian.org/debian sid/main amd64 libgl2ps1.4 amd64 1.4.2+dfsg1-2 [41.3 kB] Get:173 http://deb.debian.org/debian sid/main amd64 libglew2.2 amd64 2.2.0-4+b2 [168 kB] Get:174 http://deb.debian.org/debian sid/main amd64 libglib2.0-0t64 amd64 2.84.1-2 [1514 kB] Get:175 http://deb.debian.org/debian sid/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB] Get:176 http://deb.debian.org/debian sid/main amd64 libgudev-1.0-0 amd64 238-6 [14.5 kB] Get:177 http://deb.debian.org/debian sid/main amd64 libharfbuzz0b amd64 10.2.0-1+b1 [479 kB] Get:178 http://deb.debian.org/debian sid/main amd64 libsz2 amd64 1.1.3-1+b1 [8080 B] Get:179 http://deb.debian.org/debian sid/main amd64 libhdf5-310 amd64 1.14.5+repack-3 [1344 kB] Get:180 http://deb.debian.org/debian sid/main amd64 libhdf5-hl-310 amd64 1.14.5+repack-3 [69.3 kB] Get:181 http://deb.debian.org/debian sid/main amd64 libxnvctrl0 amd64 535.171.04-1+b2 [14.2 kB] Get:182 http://deb.debian.org/debian sid/main amd64 ocl-icd-libopencl1 amd64 2.3.3-1 [42.9 kB] Get:183 http://deb.debian.org/debian sid/main amd64 libhwloc15 amd64 2.12.0-1 [164 kB] Get:184 http://deb.debian.org/debian sid/main amd64 libhwloc-plugins amd64 2.12.0-1 [18.1 kB] Get:185 http://deb.debian.org/debian sid/main amd64 libibumad3 amd64 56.1-1 [30.0 kB] Get:186 http://deb.debian.org/debian sid/main amd64 libibmad5 amd64 56.1-1 [44.5 kB] Get:187 http://deb.debian.org/debian sid/main amd64 libice6 amd64 2:1.1.1-1 [65.4 kB] Get:188 http://deb.debian.org/debian sid/main amd64 libicu76 amd64 76.1-3 [9721 kB] Get:189 http://deb.debian.org/debian sid/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB] Get:190 http://deb.debian.org/debian sid/main amd64 libinchi1.07 amd64 1.07.3+dfsg-1 [557 kB] Get:191 http://deb.debian.org/debian sid/main amd64 libwacom-common all 2.14.0-1 [103 kB] Get:192 http://deb.debian.org/debian sid/main amd64 libwacom9 amd64 2.14.0-1 [25.3 kB] Get:193 http://deb.debian.org/debian sid/main amd64 libinput-bin amd64 1.28.1-1 [26.3 kB] Get:194 http://deb.debian.org/debian sid/main amd64 libmtdev1t64 amd64 1.1.7-1 [22.6 kB] Get:195 http://deb.debian.org/debian sid/main amd64 libinput10 amd64 1.28.1-1 [143 kB] Get:196 http://deb.debian.org/debian sid/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB] Get:197 http://deb.debian.org/debian sid/main amd64 libjpeg62-turbo amd64 1:2.1.5-3.1 [168 kB] Get:198 http://deb.debian.org/debian sid/main amd64 libjs-bootstrap all 3.4.1+dfsg-4 [172 kB] Get:199 http://deb.debian.org/debian sid/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get:200 http://deb.debian.org/debian sid/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get:201 http://deb.debian.org/debian sid/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5667 kB] Get:202 http://deb.debian.org/debian sid/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get:203 http://deb.debian.org/debian sid/main amd64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB] Get:204 http://deb.debian.org/debian sid/main amd64 libjson-perl all 4.10000-1 [87.5 kB] Get:205 http://deb.debian.org/debian sid/main amd64 libjsoncpp26 amd64 1.9.6-3 [81.7 kB] Get:206 http://deb.debian.org/debian sid/main amd64 liblcms2-2 amd64 2.16-2 [160 kB] Get:207 http://deb.debian.org/debian sid/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB] Get:208 http://deb.debian.org/debian sid/main amd64 liblzf1 amd64 3.6-4+b3 [10.1 kB] Get:209 http://deb.debian.org/debian sid/main amd64 libmaeparser1 amd64 1.3.1-1+b2 [94.0 kB] Get:210 http://deb.debian.org/debian sid/main amd64 libmd4c0 amd64 0.5.2-2+b1 [49.0 kB] Get:211 http://deb.debian.org/debian sid/main amd64 libmunge2 amd64 0.5.16-1 [19.7 kB] Get:212 http://deb.debian.org/debian sid/main amd64 libnetcdf22 amd64 1:4.9.3-1 [517 kB] Get:213 http://deb.debian.org/debian sid/main amd64 libogg0 amd64 1.3.5-3+b2 [23.8 kB] Get:214 http://deb.debian.org/debian sid/main amd64 libopenbabel7 amd64 3.1.1+dfsg-12 [3282 kB] Get:215 http://deb.debian.org/debian sid/main amd64 libopenjp2-7 amd64 2.5.3-2 [204 kB] Get:216 http://deb.debian.org/debian sid/main amd64 libpmix2t64 amd64 5.0.7-1 [660 kB] Get:217 http://deb.debian.org/debian sid/main amd64 libucx0 amd64 1.18.1+ds-2+b1 [1196 kB] Get:218 http://deb.debian.org/debian sid/main amd64 libopenmpi40 amd64 5.0.7-1 [2365 kB] Get:219 http://deb.debian.org/debian sid/main amd64 libpcre2-16-0 amd64 10.45-1 [281 kB] Get:220 http://deb.debian.org/debian sid/main amd64 proj-data all 9.6.0-1 [6303 kB] Get:221 http://deb.debian.org/debian sid/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [116 kB] Get:222 http://deb.debian.org/debian sid/main amd64 libwebp7 amd64 1.5.0-0.1 [318 kB] Get:223 http://deb.debian.org/debian sid/main amd64 libtiff6 amd64 4.7.0-3 [346 kB] Get:224 http://deb.debian.org/debian sid/main amd64 libproj25 amd64 9.6.0-1 [1453 kB] Get:225 http://deb.debian.org/debian sid/main amd64 libpython3.13 amd64 3.13.3-2 [2156 kB] Get:226 http://deb.debian.org/debian sid/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB] Get:227 http://deb.debian.org/debian sid/main amd64 libpython3.13-dev amd64 3.13.3-2 [5015 kB] Get:228 http://deb.debian.org/debian sid/main amd64 libpython3-dev amd64 3.13.3-1 [10.4 kB] Get:229 http://deb.debian.org/debian sid/main amd64 libpython3-all-dev amd64 3.13.3-1 [1068 B] Get:230 http://deb.debian.org/debian sid/main amd64 libqhull-r8.0 amd64 2020.2-6+b2 [248 kB] Get:231 http://deb.debian.org/debian sid/main amd64 shared-mime-info amd64 2.4-5+b2 [760 kB] Get:232 http://deb.debian.org/debian sid/main amd64 libqt5core5t64 amd64 5.15.15+dfsg-5 [1872 kB] Get:233 http://deb.debian.org/debian sid/main amd64 libqt5dbus5t64 amd64 5.15.15+dfsg-5 [217 kB] Get:234 http://deb.debian.org/debian sid/main amd64 libegl1 amd64 1.7.0-1+b2 [34.6 kB] Get:235 http://deb.debian.org/debian sid/main amd64 libqt5network5t64 amd64 5.15.15+dfsg-5 [682 kB] Get:236 http://deb.debian.org/debian sid/main amd64 libsm6 amd64 2:1.2.6-1 [37.3 kB] Get:237 http://deb.debian.org/debian sid/main amd64 libxcb-icccm4 amd64 0.4.2-1 [27.5 kB] Get:238 http://deb.debian.org/debian sid/main amd64 libxcb-util1 amd64 0.4.1-1 [23.5 kB] Get:239 http://deb.debian.org/debian sid/main amd64 libxcb-image0 amd64 0.4.0-2+b2 [22.2 kB] Get:240 http://deb.debian.org/debian sid/main amd64 libxcb-keysyms1 amd64 0.4.1-1 [16.7 kB] Get:241 http://deb.debian.org/debian sid/main amd64 libxcb-render-util0 amd64 0.3.10-1 [18.4 kB] Get:242 http://deb.debian.org/debian sid/main amd64 libxcb-shape0 amd64 1.17.0-2+b1 [106 kB] Get:243 http://deb.debian.org/debian sid/main amd64 libxcb-xinerama0 amd64 1.17.0-2+b1 [105 kB] Get:244 http://deb.debian.org/debian sid/main amd64 libxcb-xinput0 amd64 1.17.0-2+b1 [130 kB] Get:245 http://deb.debian.org/debian sid/main amd64 libxcb-xkb1 amd64 1.17.0-2+b1 [130 kB] Get:246 http://deb.debian.org/debian sid/main amd64 xkb-data all 2.42-1 [790 kB] Get:247 http://deb.debian.org/debian sid/main amd64 libxkbcommon0 amd64 1.7.0-2 [113 kB] Get:248 http://deb.debian.org/debian sid/main amd64 libxkbcommon-x11-0 amd64 1.7.0-2 [16.2 kB] Get:249 http://deb.debian.org/debian sid/main amd64 libqt5gui5t64 amd64 5.15.15+dfsg-5 [3497 kB] Get:250 http://deb.debian.org/debian sid/main amd64 libqt5widgets5t64 amd64 5.15.15+dfsg-5 [2398 kB] Get:251 http://deb.debian.org/debian sid/main amd64 libraqm0 amd64 0.10.2-1 [13.9 kB] Get:252 http://deb.debian.org/debian sid/main amd64 libsymspg2 amd64 2.6.0-3 [194 kB] Get:253 http://deb.debian.org/debian sid/main amd64 libtbbbind-2-5 amd64 2022.1.0-1 [14.0 kB] Get:254 http://deb.debian.org/debian sid/main amd64 libtbbmalloc2 amd64 2022.1.0-1 [50.2 kB] Get:255 http://deb.debian.org/debian sid/main amd64 libtbb12 amd64 2022.1.0-1 [91.7 kB] Get:256 http://deb.debian.org/debian sid/main amd64 libtheoradec1 amd64 1.2.0~alpha1+dfsg-6 [58.4 kB] Get:257 http://deb.debian.org/debian sid/main amd64 libtheoraenc1 amd64 1.2.0~alpha1+dfsg-6 [108 kB] Get:258 http://deb.debian.org/debian sid/main amd64 libopengl0 amd64 1.7.0-1+b2 [30.9 kB] Get:259 http://deb.debian.org/debian sid/main amd64 libvtk9.3 amd64 9.3.0+dfsg1-4+b1 [23.2 MB] Get:260 http://deb.debian.org/debian sid/main amd64 libvtk9.3-qt amd64 9.3.0+dfsg1-4+b1 [173 kB] Get:261 http://deb.debian.org/debian sid/main amd64 libwebpdemux2 amd64 1.5.0-0.1 [113 kB] Get:262 http://deb.debian.org/debian sid/main amd64 libwebpmux3 amd64 1.5.0-0.1 [126 kB] Get:263 http://deb.debian.org/debian sid/main amd64 libxslt1.1 amd64 1.1.35-1.2 [233 kB] Get:264 http://deb.debian.org/debian sid/main amd64 libyaml-0-2 amd64 0.2.5-2 [52.5 kB] Get:265 http://deb.debian.org/debian sid/main amd64 libzopfli1 amd64 1.0.3-3 [106 kB] Get:266 http://deb.debian.org/debian sid/main amd64 openmpi-common all 5.0.7-1 [97.2 kB] Get:267 http://deb.debian.org/debian sid/main amd64 openmpi-bin amd64 5.0.7-1 [189 kB] Get:268 http://deb.debian.org/debian sid/main amd64 mpi-default-bin amd64 1.18 [2576 B] Get:269 http://deb.debian.org/debian sid/main amd64 packmol amd64 1:21.0.1-1 [118 kB] Get:270 http://deb.debian.org/debian sid/main amd64 python3-packaging all 25.0-1 [56.6 kB] Get:271 http://deb.debian.org/debian sid/main amd64 python3-pyproject-hooks all 1.2.0-1 [11.7 kB] Get:272 http://deb.debian.org/debian sid/main amd64 python3-toml all 0.10.2-1 [16.2 kB] Get:273 http://deb.debian.org/debian sid/main amd64 python3-wheel all 0.46.1-2 [21.7 kB] Get:274 http://deb.debian.org/debian sid/main amd64 python3-build all 1.2.2-1 [36.0 kB] Get:275 http://deb.debian.org/debian sid/main amd64 python3-installer all 0.7.0+dfsg1-3 [18.6 kB] Get:276 http://deb.debian.org/debian sid/main amd64 pybuild-plugin-pyproject all 6.20250414 [11.8 kB] Get:277 http://deb.debian.org/debian sid/main amd64 pymatgen-test-files all 2025.2.18-1 [211 MB] Get:278 http://deb.debian.org/debian sid/main amd64 python-babel-localedata all 2.17.0-1 [6050 kB] Get:279 http://deb.debian.org/debian sid/main amd64 python-matplotlib-data all 3.10.1+dfsg1-3 [2736 kB] Get:280 http://deb.debian.org/debian sid/main amd64 python3-alabaster all 0.7.16-0.1 [27.9 kB] Get:281 http://deb.debian.org/debian sid/main amd64 python3-all amd64 3.13.3-1 [1048 B] Get:282 http://deb.debian.org/debian sid/main amd64 python3.13-dev amd64 3.13.3-2 [508 kB] Get:283 http://deb.debian.org/debian sid/main amd64 python3-dev amd64 3.13.3-1 [26.1 kB] Get:284 http://deb.debian.org/debian sid/main amd64 python3-all-dev amd64 3.13.3-1 [1068 B] Get:285 http://deb.debian.org/debian sid/main amd64 python3-typing-extensions all 4.13.2-1 [90.5 kB] Get:286 http://deb.debian.org/debian sid/main amd64 python3-annotated-types all 0.7.0-1 [18.8 kB] Get:287 http://deb.debian.org/debian sid/main amd64 python3-decorator all 5.2.1-2 [33.0 kB] Get:288 http://deb.debian.org/debian sid/main amd64 python3-scipy amd64 1.15.2-8 [16.3 MB] Get:289 http://deb.debian.org/debian sid/main amd64 python3-spglib amd64 2.6.0-3 [53.6 kB] Get:290 http://deb.debian.org/debian sid/main amd64 python3-dateutil all 2.9.0-4 [79.4 kB] Get:291 http://deb.debian.org/debian sid/main amd64 python3-pil amd64 11.1.0-5+b1 [513 kB] Get:292 http://deb.debian.org/debian sid/main amd64 python3.13-tk amd64 3.13.3-2 [107 kB] Get:293 http://deb.debian.org/debian sid/main amd64 python3-tk amd64 3.13.3-1 [9548 B] Get:294 http://deb.debian.org/debian sid/main amd64 python3-pil.imagetk amd64 11.1.0-5+b1 [81.6 kB] Get:295 http://deb.debian.org/debian sid/main amd64 python3-pyparsing all 3.1.2-1 [146 kB] Get:296 http://deb.debian.org/debian sid/main amd64 python3-contourpy amd64 1.3.1-1+b1 [216 kB] Get:297 http://deb.debian.org/debian sid/main amd64 python3-cycler all 0.12.1-1 [9496 B] Get:298 http://deb.debian.org/debian sid/main amd64 python3-brotli amd64 1.1.0-2+b7 [320 kB] Get:299 http://deb.debian.org/debian sid/main amd64 python3-platformdirs all 4.3.7-1 [16.6 kB] Get:300 http://deb.debian.org/debian sid/main amd64 python3-fs all 2.4.16-7 [95.2 kB] Get:301 http://deb.debian.org/debian sid/main amd64 python3-lxml amd64 5.3.2-1 [1297 kB] Get:302 http://deb.debian.org/debian sid/main amd64 python3-lz4 amd64 4.4.0+dfsg-2 [25.3 kB] Get:303 http://deb.debian.org/debian sid/main amd64 python3-mpmath all 1.3.0-1 [419 kB] Get:304 http://deb.debian.org/debian sid/main amd64 python3-sympy all 1.13.3-5 [4148 kB] Get:305 http://deb.debian.org/debian sid/main amd64 python3-attr all 25.3.0-1 [69.5 kB] Get:306 http://deb.debian.org/debian sid/main amd64 python3-ufolib2 all 0.17.1+dfsg1-1 [33.0 kB] Get:307 http://deb.debian.org/debian sid/main amd64 python3-zopfli amd64 0.2.3.post1-1+b1 [10.5 kB] Get:308 http://deb.debian.org/debian sid/main amd64 unicode-data all 15.1.0-1 [8547 kB] Get:309 http://deb.debian.org/debian sid/main amd64 python3-fonttools amd64 4.57.0-1 [1438 kB] Get:310 http://deb.debian.org/debian sid/main amd64 python3-kiwisolver amd64 1.4.7-3+b1 [62.0 kB] Get:311 http://deb.debian.org/debian sid/main amd64 python3-matplotlib amd64 3.10.1+dfsg1-3 [23.8 MB] Get:312 http://deb.debian.org/debian sid/main amd64 python3-ase all 3.24.0-1 [1730 kB] Get:313 http://deb.debian.org/debian sid/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get:314 http://deb.debian.org/debian sid/main amd64 python3-babel all 2.17.0-1 [117 kB] Get:315 http://deb.debian.org/debian sid/main amd64 python3-soupsieve all 2.7-1 [39.0 kB] Get:316 http://deb.debian.org/debian sid/main amd64 python3-bs4 all 4.13.4-1 [167 kB] Get:317 http://deb.debian.org/debian sid/main amd64 python3-bson all 4.10.1-6 [87.2 kB] Get:318 http://deb.debian.org/debian sid/main amd64 python3-certifi all 2025.1.31+ds-1 [9652 B] Get:319 http://deb.debian.org/debian sid/main amd64 python3-cftime amd64 1.6.4-2 [216 kB] Get:320 http://deb.debian.org/debian sid/main amd64 python3-chardet all 5.2.0+dfsg-2 [108 kB] Get:321 http://deb.debian.org/debian sid/main amd64 python3-charset-normalizer amd64 3.4.1-1+b1 [125 kB] Get:322 http://deb.debian.org/debian sid/main amd64 python3-defusedxml all 0.7.1-3 [43.4 kB] Get:323 http://deb.debian.org/debian sid/main amd64 python3-dnspython all 2.7.0-1 [164 kB] Get:324 http://deb.debian.org/debian sid/main amd64 python3-roman all 5.0-1 [10.6 kB] Get:325 http://deb.debian.org/debian sid/main amd64 python3-docutils all 0.21.2+dfsg-2 [403 kB] Get:326 http://deb.debian.org/debian sid/main amd64 python3-idna all 3.10-1 [42.0 kB] Get:327 http://deb.debian.org/debian sid/main amd64 python3-email-validator all 2.2.0-1 [31.6 kB] Get:328 http://deb.debian.org/debian sid/main amd64 python3-fastjsonschema all 2.21.1-1 [22.4 kB] Get:329 http://deb.debian.org/debian sid/main amd64 python3-frozendict all 2.4.6-1 [13.0 kB] Get:330 http://deb.debian.org/debian sid/main amd64 python3-h5py-serial amd64 3.13.0-1+b1 [1065 kB] Get:331 http://deb.debian.org/debian sid/main amd64 python3-h5py all 3.13.0-1 [15.0 kB] Get:332 http://deb.debian.org/debian sid/main amd64 python3-imagesize all 1.4.1-1 [6688 B] Get:333 http://deb.debian.org/debian sid/main amd64 python3-more-itertools all 10.7.0-1 [67.4 kB] Get:334 http://deb.debian.org/debian sid/main amd64 python3-typeguard all 4.4.2-1 [37.3 kB] Get:335 http://deb.debian.org/debian sid/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get:336 http://deb.debian.org/debian sid/main amd64 python3-iniconfig all 1.1.1-2 [6396 B] Get:337 http://deb.debian.org/debian sid/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get:338 http://deb.debian.org/debian sid/main amd64 python3-pkg-resources all 78.1.0-1.2 [224 kB] Get:339 http://deb.debian.org/debian sid/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get:340 http://deb.debian.org/debian sid/main amd64 python3-zipp all 3.21.0-1 [10.6 kB] Get:341 http://deb.debian.org/debian sid/main amd64 python3-setuptools all 78.1.0-1.2 [738 kB] Get:342 http://deb.debian.org/debian sid/main amd64 python3-jaraco.context all 6.0.1-1 [8276 B] Get:343 http://deb.debian.org/debian sid/main amd64 python3-markupsafe amd64 2.1.5-1+b3 [14.0 kB] Get:344 http://deb.debian.org/debian sid/main amd64 python3-jinja2 all 3.1.6-1 [107 kB] Get:345 http://deb.debian.org/debian sid/main amd64 python3-joblib all 1.4.2-3 [216 kB] Get:346 http://deb.debian.org/debian sid/main amd64 python3-rpds-py amd64 0.21.0-2+b1 [257 kB] Get:347 http://deb.debian.org/debian sid/main amd64 python3-referencing all 0.36.2-1 [23.7 kB] Get:348 http://deb.debian.org/debian sid/main amd64 python3-jsonschema-specifications all 2023.12.1-2 [9020 B] Get:349 http://deb.debian.org/debian sid/main amd64 python3-jsonschema all 4.19.2-6 [71.4 kB] Get:350 http://deb.debian.org/debian sid/main amd64 python3-traitlets all 5.14.3+really5.14.3-1 [70.9 kB] Get:351 http://deb.debian.org/debian sid/main amd64 python3-jupyter-core all 5.7.2-5 [35.3 kB] Get:352 http://deb.debian.org/debian sid/main amd64 python3-latexcodec all 3.0.0-1 [17.5 kB] Get:353 http://deb.debian.org/debian sid/main amd64 python3-pytz all 2025.2-2 [151 kB] Get:354 http://deb.debian.org/debian sid/main amd64 python3-pandas-lib amd64 2.2.3+dfsg-9 [4595 kB] Get:355 http://deb.debian.org/debian sid/main amd64 python3-pandas all 2.2.3+dfsg-9 [3097 kB] Get:356 http://deb.debian.org/debian sid/main amd64 python3-pydantic-core amd64 2.27.2-3 [1505 kB] Get:357 http://deb.debian.org/debian sid/main amd64 python3-pydantic amd64 2.10.6-2 [346 kB] Get:358 http://deb.debian.org/debian sid/main amd64 python3-tqdm all 4.67.1-4 [90.8 kB] Get:359 http://deb.debian.org/debian sid/main amd64 python3-ruamel.yaml.clib amd64 0.2.12+ds-1+b1 [135 kB] Get:360 http://deb.debian.org/debian sid/main amd64 python3-ruamel.yaml all 0.18.10+ds-1 [147 kB] Get:361 http://deb.debian.org/debian sid/main amd64 python3-monty all 2025.3.3-1 [46.1 kB] Get:362 http://deb.debian.org/debian sid/main amd64 python3-mpi4py amd64 4.0.3-4 [765 kB] Get:363 http://deb.debian.org/debian sid/main amd64 python3-nbformat all 5.9.1-1 [45.1 kB] Get:364 http://deb.debian.org/debian sid/main amd64 python3-netcdf4 amd64 1.7.2-1+b4 [622 kB] Get:365 http://deb.debian.org/debian sid/main amd64 python3-networkx all 3.2.1-5 [13.0 MB] Get:366 http://deb.debian.org/debian sid/main amd64 python3-openbabel amd64 3.1.1+dfsg-12 [578 kB] Get:367 http://deb.debian.org/debian sid/main amd64 python3-palettable all 3.3.3-1 [69.7 kB] Get:368 http://deb.debian.org/debian sid/main amd64 python3-yaml amd64 6.0.2-1+b2 [136 kB] Get:369 http://deb.debian.org/debian sid/main amd64 python3-phonopy amd64 2.38.1-1 [335 kB] Get:370 http://deb.debian.org/debian sid/main amd64 python3-urllib3 all 2.3.0-2 [114 kB] Get:371 http://deb.debian.org/debian sid/main amd64 python3-requests all 2.32.3+dfsg-5 [72.2 kB] Get:372 http://deb.debian.org/debian sid/main amd64 python3-tz all 2025.2-2 [4164 B] Get:373 http://deb.debian.org/debian sid/main amd64 python3-tenacity all 8.4.2+really8.4.1-2 [46.0 kB] Get:374 http://deb.debian.org/debian sid/main amd64 python3-plotly all 5.20.0+dfsg-1 [2726 kB] Get:375 http://deb.debian.org/debian sid/main amd64 python3-pluggy all 1.5.0-1 [26.9 kB] Get:376 http://deb.debian.org/debian sid/main amd64 python3-six all 1.17.0-1 [16.5 kB] Get:377 http://deb.debian.org/debian sid/main amd64 python3-pybtex all 0.24.0-4 [74.6 kB] Get:378 http://deb.debian.org/debian sid/main amd64 python3-pygments all 2.18.0+dfsg-2 [836 kB] Get:379 http://deb.debian.org/debian sid/main amd64 python3-pytest all 8.3.5-2 [250 kB] Get:380 http://deb.debian.org/debian sid/main amd64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get:381 http://deb.debian.org/debian sid/main amd64 sphinx-common all 8.1.3-5 [617 kB] Get:382 http://deb.debian.org/debian sid/main amd64 python3-sphinx all 8.1.3-5 [468 kB] Get:383 http://deb.debian.org/debian sid/main amd64 sphinx-rtd-theme-common all 3.0.2+dfsg-2 [1023 kB] Get:384 http://deb.debian.org/debian sid/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get:385 http://deb.debian.org/debian sid/main amd64 python3-sphinx-rtd-theme all 3.0.2+dfsg-2 [29.7 kB] Get:386 http://deb.debian.org/debian sid/main amd64 python3-tabulate all 0.9.0-1 [45.9 kB] Get:387 http://deb.debian.org/debian sid/main amd64 python3-uncertainties all 3.2.2-1 [54.7 kB] Get:388 http://deb.debian.org/debian sid/main amd64 python3-vtk9 amd64 9.3.0+dfsg1-4+b1 [7224 kB] Preconfiguring packages ... Fetched 555 MB in 7s (78.6 MB/s) Selecting previously unselected package fonts-lato. (Reading database ... 12856 files and directories currently installed.) Preparing to unpack .../fonts-lato_2.015-1_all.deb ... Unpacking fonts-lato (2.015-1) ... Selecting previously unselected package libpython3.13-minimal:amd64. Preparing to unpack .../libpython3.13-minimal_3.13.3-2_amd64.deb ... Unpacking libpython3.13-minimal:amd64 (3.13.3-2) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.7.1-1_amd64.deb ... Unpacking libexpat1:amd64 (2.7.1-1) ... Selecting previously unselected package python3.13-minimal. Preparing to unpack .../python3.13-minimal_3.13.3-2_amd64.deb ... Unpacking python3.13-minimal (3.13.3-2) ... Setting up libpython3.13-minimal:amd64 (3.13.3-2) ... Setting up libexpat1:amd64 (2.7.1-1) ... Setting up python3.13-minimal (3.13.3-2) ... Selecting previously unselected package python3-minimal. 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Setting up libhwloc15:amd64 (2.12.0-1) ... Setting up python3-numpy-dev:amd64 (1:2.2.4+ds-1) ... Setting up libtcl8.6:amd64 (8.6.16+dfsg-1) ... Setting up autopoint (0.23.1-2) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up libsensors5:amd64 (1:3.6.2-2) ... Setting up libncursesw6:amd64 (6.5+20250216-2) ... Setting up libk5crypto3:amd64 (1.21.3-5) ... Setting up libsasl2-2:amd64 (2.1.28+dfsg1-9) ... Setting up libgfortran5:amd64 (14.2.0-19) ... Setting up libvulkan1:amd64 (1.4.309.0-1) ... Setting up autoconf (2.72-3.1) ... Setting up libnghttp3-9:amd64 (1.8.0-1) ... Setting up libwebp7:amd64 (1.5.0-0.1) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libffi8:amd64 (3.4.8-2) ... Setting up libnuma1:amd64 (2.0.19-1) ... Setting up dwz (0.15-1+b1) ... Setting up libmtdev1t64:amd64 (1.1.7-1) ... Setting up sensible-utils (0.0.25) ... Setting up ocl-icd-libopencl1:amd64 (2.3.3-1) ... Setting up libxshmfence1:amd64 (1.3.3-1) ... Setting up libtiff6:amd64 (4.7.0-3) ... Setting up libxcb-randr0:amd64 (1.17.0-2+b1) ... Setting up libuchardet0:amd64 (0.0.8-1+b2) ... Setting up procps (2:4.0.4-8) ... Setting up libjson-perl (4.10000-1) ... Setting up libnl-3-200:amd64 (3.7.0-2) ... Setting up libpsm2-2 (11.2.185-2.1) ... Setting up openmpi-common (5.0.7-1) ... Setting up libtasn1-6:amd64 (4.20.0-2) ... Setting up libmd4c0:amd64 (0.5.2-2+b1) ... Setting up libopenjp2-7:amd64 (2.5.3-2) ... Setting up libx11-6:amd64 (2:1.8.12-1) ... Setting up netbase (6.5) ... Setting up libngtcp2-16:amd64 (1.11.0-1) ... Setting up sgml-base (1.31+nmu1) ... Setting up libkrb5-3:amd64 (1.21.3-5) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up libicu76:amd64 (76.1-3) ... Setting up libssh2-1t64:amd64 (1.11.1-1) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libfuse3-4:amd64 (3.17.1+git250416-1) ... Setting up libfido2-1:amd64 (1.15.0-1+b1) ... Setting up python-matplotlib-data (3.10.1+dfsg1-3) ... Setting up openssl (3.5.0-1) ... Setting up libwebpmux3:amd64 (1.5.0-0.1) ... Setting up libinchi1.07 (1.07.3+dfsg-1) ... Setting up libdrm-common (2.4.124-2) ... Setting up libevdev2:amd64 (1.13.4+dfsg-1) ... Setting up readline-common (8.2-6) ... Setting up libxml2:amd64 (2.12.7+dfsg+really2.9.14-0.4) ... Setting up pymatgen-test-files (2025.2.18-1) ... Setting up fonts-font-awesome (5.0.10+really4.7.0~dfsg-4.1) ... Setting up sphinx-rtd-theme-common (3.0.2+dfsg-2) ... Setting up libldap2:amd64 (2.6.9+dfsg-2) ... Setting up libsz2:amd64 (1.1.3-1+b1) ... Setting up libjs-bootstrap (3.4.1+dfsg-4) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up libwacom-common (2.14.0-1) ... Setting up libxkbcommon0:amd64 (1.7.0-2) ... Setting up libwayland-client0:amd64 (1.23.1-3) ... Setting up automake (1:1.17-4) ... update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode Setting up libfile-stripnondeterminism-perl (1.14.1-2) ... Setting up libxcb-dri3-0:amd64 (1.17.0-2+b1) ... Setting up libllvm19:amd64 (1:19.1.7-3) ... Setting up libwayland-server0:amd64 (1.23.1-3) ... Setting up libx11-xcb1:amd64 (2:1.8.12-1) ... Setting up libice6:amd64 (2:1.1.1-1) ... Setting up liblapack3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up gettext (0.23.1-2) ... Setting up libxrender1:amd64 (1:0.9.12-1) ... Setting up libtool (2.5.4-4) ... Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up fontconfig-config (2.15.0-2.3) ... Setting up libwebpdemux2:amd64 (1.5.0-0.1) ... Setting up libxext6:amd64 (2:1.3.4-1+b3) ... Setting up libidn2-0:amd64 (2.3.8-2) ... Setting up libxxf86vm1:amd64 (1:1.1.4-1+b4) ... Setting up libtbbbind-2-5:amd64 (2022.1.0-1) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:amd64 (3.7.0-2) ... Setting up libmaeparser1:amd64 (1.3.1-1+b2) ... Setting up libxnvctrl0:amd64 (535.171.04-1+b2) ... Setting up dh-autoreconf (20) ... Setting up ca-certificates (20250419) ... Updating certificates in /etc/ssl/certs... 150 added, 0 removed; done. Setting up libglib2.0-0t64:amd64 (2.84.1-2) ... No schema files found: doing nothing. Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:amd64 (1:17.0.6-21+b1) ... Setting up packmol (1:21.0.1-1) ... Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ... Setting up shared-mime-info (2.4-5+b2) ... Setting up libp11-kit0:amd64 (0.25.5-3) ... Setting up libxkbcommon-x11-0:amd64 (1.7.0-2) ... Setting up libgssapi-krb5-2:amd64 (1.21.3-5) ... Setting up libjs-sphinxdoc (8.1.3-5) ... Setting up libreadline8t64:amd64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.1-2) ... Setting up libdrm2:amd64 (2.4.124-2) ... Setting up groff-base (1.23.0-7) ... Setting up xml-core (0.19) ... Setting up libxslt1.1:amd64 (1.1.35-1.2) ... Setting up libharfbuzz0b:amd64 (10.2.0-1+b1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libxss1:amd64 (1:1.2.3-1+b3) ... Setting up libfontconfig1:amd64 (2.15.0-2.3) ... Setting up libsm6:amd64 (2:1.2.6-1) ... Setting up libpython3.13-stdlib:amd64 (3.13.3-2) ... Setting up libgudev-1.0-0:amd64 (238-6) ... Setting up libpython3-stdlib:amd64 (3.13.3-1) ... Setting up libdrm-amdgpu1:amd64 (2.4.124-2) ... Setting up libpython3.13:amd64 (3.13.3-2) ... Setting up libgnutls30t64:amd64 (3.8.9-2) ... Setting up libibverbs1:amd64 (56.1-1) ... Setting up fontconfig (2.15.0-2.3) ... Regenerating fonts cache... done. Setting up libxft2:amd64 (2.3.6-1+b4) ... Setting up ibverbs-providers:amd64 (56.1-1) ... Setting up python3.13 (3.13.3-2) ... Setting up libwacom9:amd64 (2.14.0-1) ... Setting up openssh-client (1:10.0p1-2) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:amd64 (8.6.16-1) ... Setting up libdrm-intel1:amd64 (2.4.124-2) ... Setting up libpsl5t64:amd64 (0.21.2-1.1+b1) ... Setting up python3 (3.13.3-1) ... Setting up libtbb12:amd64 (2022.1.0-1) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up libhwloc-plugins:amd64 (2.12.0-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up python3-markupsafe (2.1.5-1+b3) ... Setting up libcairo2:amd64 (1.18.4-1+b1) ... Setting up python3.13-tk (3.13.3-2) ... Setting up python3-annotated-types (0.7.0-1) ... Setting up python3-platformdirs (4.3.7-1) ... Setting up python3-zopfli (0.2.3.post1-1+b1) ... Setting up libinput-bin (1.28.1-1) ... Setting up python3-fs (2.4.16-7) ... Setting up python3-six (1.17.0-1) ... Setting up python3-bson (4.10.1-6) ... Setting up python3-roman (5.0-1) ... Setting up libqt5core5t64:amd64 (5.15.15+dfsg-5) ... Setting up python3-decorator (5.2.1-2) ... Setting up python3-jinja2 (3.1.6-1) ... Setting up python3-pygments (2.18.0+dfsg-2) ... Setting up python3-packaging (25.0-1) ... Setting up python3-chardet (5.2.0+dfsg-2) ... Setting up python3-pyproject-hooks (1.2.0-1) ... Setting up libtheoradec1:amd64 (1.2.0~alpha1+dfsg-6) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up python3-certifi (2025.1.31+ds-1) ... Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up python3-snowballstemmer (2.2.0-4) ... Setting up python3-brotli (1.1.0-2+b7) ... Setting up libraqm0:amd64 (0.10.2-1) ... Setting up libpython3.13-dev:amd64 (3.13.3-2) ... Setting up sphinx-common (8.1.3-5) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-3+b1) ... Setting up python3-idna (3.10-1) ... Setting up cython3 (3.0.11+dfsg-2+b1) ... Setting up python3-typing-extensions (4.13.2-1) ... Setting up libpmix2t64:amd64 (5.0.7-1) ... Setting up python3-numpy (1:2.2.4+ds-1) ... Setting up python3-toml (0.10.2-1) ... Setting up python3-installer (0.7.0+dfsg1-3) ... Setting up python3-urllib3 (2.3.0-2) ... Setting up python3-pluggy (1.5.0-1) ... Setting up python3-rpds-py (0.21.0-2+b1) ... Setting up python3-fastjsonschema (2.21.1-1) ... Setting up python3-lxml:amd64 (5.3.2-1) ... Setting up python3-dnspython (2.7.0-1) ... Setting up python3-traitlets (5.14.3+really5.14.3-1) ... Setting up librdmacm1t64:amd64 (56.1-1) ... Setting up python3-dateutil (2.9.0-4) ... Setting up python3-contourpy (1.3.1-1+b1) ... Setting up python3-email-validator (2.2.0-1) ... Setting up python3-mpmath (1.3.0-1) ... Setting up python3-spglib (2.6.0-3) ... Setting up python3-soupsieve (2.7-1) ... Setting up python3-jupyter-core (5.7.2-5) ... Setting up libngtcp2-crypto-gnutls8:amd64 (1.11.0-1) ... Setting up libhsakmt1:amd64 (6.2.4+ds-1) ... Setting up python3-imagesize (1.4.1-1) ... Setting up python3-uncertainties (3.2.2-1) ... Setting up dh-python (6.20250414) ... Setting up python3-more-itertools (10.7.0-1) ... Setting up libfabric1:amd64 (2.1.0-1) ... Setting up python3-iniconfig (1.1.1-2) ... Setting up libinput10:amd64 (1.28.1-1) ... Setting up python3-sympy (1.13.3-5) ... Setting up python3-attr (25.3.0-1) ... Setting up mesa-libgallium:amd64 (25.0.4-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-8) ... Setting up libqt5dbus5t64:amd64 (5.15.15+dfsg-5) ... Setting up python3-scipy (1.15.2-8) ... Setting up libpython3-dev:amd64 (3.13.3-1) ... Setting up python3-pydantic-core (2.27.2-3) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.1-1) ... Setting up libcurl4t64:amd64 (8.13.0-5) ... Setting up python3-joblib (1.4.2-3) ... Setting up libgbm1:amd64 (25.0.4-1) ... Setting up python3-babel (2.17.0-1) ... update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up python3-lz4 (4.4.0+dfsg-2) ... Setting up python3-defusedxml (0.7.1-3) ... Setting up python3-charset-normalizer (3.4.1-1+b1) ... Setting up python3.13-dev (3.13.3-2) ... Setting up python3-pytest (8.3.5-2) ... Setting up python3-alabaster (0.7.16-0.1) ... Setting up blt (2.5.3+dfsg-8) ... Setting up python3-tenacity (8.4.2+really8.4.1-2) ... Setting up python3-pandas-lib:amd64 (2.2.3+dfsg-9) ... Setting up python3-tqdm (4.67.1-4) ... Setting up python3-typeguard (4.4.2-1) ... Setting up libgl1-mesa-dri:amd64 (25.0.4-1) ... Setting up libqt5network5t64:amd64 (5.15.15+dfsg-5) ... Setting up python3-ruamel.yaml.clib (0.2.12+ds-1+b1) ... Setting up python3-frozendict (2.4.6-1) ... Setting up libcurl3t64-gnutls:amd64 (8.13.0-5) ... Setting up python3-tabulate (0.9.0-1) ... Setting up python3-latexcodec (3.0.0-1) ... Setting up python3-all (3.13.3-1) ... Setting up libopenbabel7 (3.1.1+dfsg-12) ... Setting up python3-yaml (6.0.2-1+b2) ... Setting up python3-tk:amd64 (3.13.3-1) ... Setting up debhelper (13.24.2) ... Setting up python3-pytz (2025.2-2) ... Setting up python3-wheel (0.46.1-2) ... Setting up python3-tz (2025.2-2) ... Setting up python3-bs4 (4.13.4-1) ... Setting up python3-pil:amd64 (11.1.0-5+b1) ... Setting up python3-inflect (7.3.1-2) ... Setting up libegl-mesa0:amd64 (25.0.4-1) ... Setting up python3-pandas (2.2.3+dfsg-9) ... Setting up python3-pil.imagetk:amd64 (11.1.0-5+b1) ... Setting up libpython3-all-dev:amd64 (3.13.3-1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-pydantic (2.10.6-2) ... Setting up python3-dev (3.13.3-1) ... Setting up python3-requests (2.32.3+dfsg-5) ... Setting up python3-cftime (1.6.4-2) ... Setting up python3-ruamel.yaml (0.18.10+ds-1) ... Setting up libhdf5-310:amd64 (1.14.5+repack-3) ... Setting up libhsa-runtime64-1:amd64 (6.1.2-3) ... Setting up python3-monty (2025.3.3-1) ... Setting up libegl1:amd64 (1.7.0-1+b2) ... Setting up python3-build (1.2.2-1) ... Setting up python3-referencing (0.36.2-1) ... Setting up python3-pkg-resources (78.1.0-1.2) ... Setting up python3-all-dev (3.13.3-1) ... Setting up libhdf5-hl-310:amd64 (1.14.5+repack-3) ... Setting up libglx-mesa0:amd64 (25.0.4-1) ... Setting up python3-setuptools (78.1.0-1.2) ... Setting up libglx0:amd64 (1.7.0-1+b2) ... Setting up python3-openbabel (3.1.1+dfsg-12) ... Setting up libproj25:amd64 (9.6.0-1) ... Setting up pybuild-plugin-pyproject (6.20250414) ... Setting up libnetcdf22:amd64 (1:4.9.3-1) ... Setting up python3-h5py-serial (3.13.0-1+b1) ... Setting up python3-networkx (3.2.1-5) ... Setting up python3-palettable (3.3.3-1) ... Setting up libgl1:amd64 (1.7.0-1+b2) ... Setting up libamdhip64-5 (5.7.1-5.1) ... Setting up python3-h5py (3.13.0-1) ... Setting up libglew2.2:amd64 (2.2.0-4+b2) ... Setting up python3-pybtex (0.24.0-4) ... Setting up python3-jsonschema-specifications (2023.12.1-2) ... Setting up python3-netcdf4 (1.7.2-1+b4) ... Setting up libucx0:amd64 (1.18.1+ds-2+b1) ... Setting up libgl2ps1.4 (1.4.2+dfsg1-2) ... Setting up libqt5gui5t64:amd64 (5.15.15+dfsg-5) ... Setting up python3-jsonschema (4.19.2-6) ... Setting up libopenmpi40:amd64 (5.0.7-1) ... Setting up libqt5widgets5t64:amd64 (5.15.15+dfsg-5) ... Setting up python3-nbformat (5.9.1-1) ... Setting up libvtk9.3:amd64 (9.3.0+dfsg1-4+b1) ... Setting up python3-plotly (5.20.0+dfsg-1) ... Setting up openmpi-bin (5.0.7-1) ... update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up libvtk9.3-qt:amd64 (9.3.0+dfsg1-4+b1) ... Setting up mpi-default-bin (1.18) ... Setting up python3-mpi4py (4.0.3-4) ... Setting up python3-vtk9 (9.3.0+dfsg1-4+b1) ... /usr/lib/python3/dist-packages/vtkmodules/util/vtkMethodParser.py:304: SyntaxWarning: invalid escape sequence '\S' patn = re.compile (" \S") Setting up python3-ufolib2 (0.17.1+dfsg1-1) ... Setting up python3-fonttools (4.57.0-1) ... Setting up python3-matplotlib (3.10.1+dfsg1-3) ... Setting up python3-ase (3.24.0-1) ... Setting up python3-phonopy (2.38.1-1) ... Processing triggers for libc-bin (2.41-7) ... Processing triggers for sgml-base (1.31+nmu1) ... Setting up docutils-common (0.21.2+dfsg-2) ... Processing triggers for sgml-base (1.31+nmu1) ... Setting up python3-docutils (0.21.2+dfsg-2) ... Setting up python3-sphinx (8.1.3-5) ... Setting up python3-sphinxcontrib.jquery (4.1-5) ... Setting up python3-sphinx-rtd-theme (3.0.2+dfsg-2) ... Setting up sbuild-build-depends-main-dummy (0.invalid.0) ... Processing triggers for ca-certificates (20250419) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. +------------------------------------------------------------------------------+ | Check architectures Thu, 01 May 2025 12:43:02 +0000 | +------------------------------------------------------------------------------+ Arch check ok (amd64 included in any all) +------------------------------------------------------------------------------+ | Build environment Thu, 01 May 2025 12:43:02 +0000 | +------------------------------------------------------------------------------+ Kernel: Linux 6.1.0-32-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) amd64 (x86_64) Toolchain package versions: binutils_2.44-3 dpkg-dev_1.22.18 g++-14_14.2.0-19 gcc-14_14.2.0-19 libc6-dev_2.41-7 libstdc++-14-dev_14.2.0-19 libstdc++6_14.2.0-19 linux-libc-dev_6.12.25-1 Package versions: adduser_3.150 apt_3.0.1 autoconf_2.72-3.1 automake_1:1.17-4 autopoint_0.23.1-2 autotools-dev_20240727.1 base-files_13.7 base-passwd_3.6.7 bash_5.2.37-2 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sgml-base_1.31+nmu1 shared-mime-info_2.4-5+b2 sphinx-common_8.1.3-5 sphinx-rtd-theme-common_3.0.2+dfsg-2 sqv_1.3.0-1 sysvinit-utils_3.14-4 tar_1.35+dfsg-3.1 tk8.6-blt2.5_2.5.3+dfsg-8 tzdata_2025b-2 unicode-data_15.1.0-1 util-linux_2.41-4 x11-common_1:7.7+24 xkb-data_2.42-1 xml-core_0.19 xz-utils_5.8.1-1 zlib1g_1:1.3.dfsg+really1.3.1-1+b1 zlib1g-dev_1:1.3.dfsg+really1.3.1-1+b1 +------------------------------------------------------------------------------+ | Build Thu, 01 May 2025 12:43:02 +0000 | +------------------------------------------------------------------------------+ Unpack source ------------- -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: pymatgen Binary: python3-pymatgen, python-pymatgen-doc Architecture: any all Version: 2025.2.18+dfsg1-4 Maintainer: Debichem Team Uploaders: Drew Parsons Homepage: https://pymatgen.org/ Standards-Version: 4.7.0 Vcs-Browser: https://salsa.debian.org/debichem-team/pymatgen Vcs-Git: https://salsa.debian.org/debichem-team/pymatgen.git Testsuite: autopkgtest Testsuite-Triggers: @builddeps@, packmol, python3-all Build-Depends: debhelper-compat (= 13), pymatgen-test-files (>= 2025.2.18~) , dh-python, dh-sequence-python3, cython3, pybuild-plugin-pyproject, python3-setuptools, python3-all-dev, python3-pytest, python3-frozendict, python3-matplotlib (>= 3.8~), python3-monty (>= 2025.1.9~), python3-networkx (>= 3~), python3-numpy (>= 1.25.0~), python3-palettable (>= 3.3.3~), python3-pandas (>= 2~), python3-plotly (>= 5.0.0~), python3-pybtex (>= 0.24.0~), python3-requests (>= 2.32~), python3-ruamel.yaml (>= 0.17.0~), python3-scipy (>= 1.13.0~), python3-spglib (>= 2.5.0~), python3-sympy (>= 1.6.2~), python3-tabulate (>= 0.9~), python3-tqdm (>= 4.60~), python3-uncertainties (>= 3.1.4~), python3-joblib (>= 1~), python3-ase (>= 3.23.0~), python3-bs4 (>= 4.9.1~), python3-vtk9 | python3-paraview, python3-h5py (>= 3.11.0~), python3-netcdf4 (>= 1.6.5~), python3-phonopy (>= 2.33.3~), python3-openbabel (>= 3.1.1~), packmol [!armel !riscv64] Build-Depends-Indep: dh-sequence-sphinxdoc , libjs-jquery , libjs-mathjax , python3-sphinx-rtd-theme Package-List: python-pymatgen-doc deb doc optional arch=all python3-pymatgen deb python optional arch=any Checksums-Sha1: 57f055559e446fa33793273f98b9ee4fa34030b5 9895876 pymatgen_2025.2.18+dfsg1.orig.tar.xz 13a536ce1f3a04dc013deb1addaa75d1c35bb29d 17056 pymatgen_2025.2.18+dfsg1-4.debian.tar.xz Checksums-Sha256: 02b118ff423e2bbaeb00976a844b3c806f2b65accdd50c8cf2099afc0723a512 9895876 pymatgen_2025.2.18+dfsg1.orig.tar.xz 72459190bae30cef346c32e3dc3a9c8768515410dc931de9c974518095e5a820 17056 pymatgen_2025.2.18+dfsg1-4.debian.tar.xz Files: d003415e9252d3de96370b91417a20c3 9895876 pymatgen_2025.2.18+dfsg1.orig.tar.xz 146030da807a885094c4d66d069dd64d 17056 pymatgen_2025.2.18+dfsg1-4.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQJIBAEBCgAyFiEEI8mpPlhYGekSbQo2Vz7x5L1aAfoFAmfARJUUHGRwYXJzb25z 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pymatgen_2025.2.18+dfsg1.orig.tar.xz dpkg-source: info: unpacking pymatgen_2025.2.18+dfsg1-4.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying test_lammps_regex_path.patch dpkg-source: info: applying skip_nonfree_testfile.patch dpkg-source: info: applying CVE-2022-42964_ReDOS_vulnerability.patch dpkg-source: info: applying skip_test_zsl_numba.patch dpkg-source: info: applying no_sphinx_markdown_builder.patch dpkg-source: info: applying tests_init.patch dpkg-source: info: applying tests_pass_or_skip.patch dpkg-source: info: applying docs_index.patch dpkg-source: info: applying docs_libjs_local.patch dpkg-source: info: applying test_files_writing.patch dpkg-source: info: applying test_tolerance.patch Check disk space ---------------- Sufficient free space for build User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf GNUMAKEFLAGS=--trace --shuffle=reverse HOME=/sbuild-nonexistent LANG=C.UTF-8 LC_ALL=C.UTF-8 LOGNAME=sbuild PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games SHELL=/bin/sh USER=sbuild dpkg-buildpackage ----------------- Command: dpkg-buildpackage --sanitize-env -us -uc -sa dpkg-buildpackage: info: source package pymatgen dpkg-buildpackage: info: source version 2025.2.18+dfsg1-4 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Drew Parsons dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 dpkg-source: info: using options from pymatgen-2025.2.18+dfsg1/debian/source/options: --extend-diff-ignore=^[^/]*[.]egg-info/ debian/rules clean debian/rules:100: update target 'clean' due to: target does not exist dh clean --buildsystem=pybuild dh_auto_clean -O--buildsystem=pybuild debian/rules execute_after_dh_auto_clean make[1]: Entering directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' debian/rules:103: update target 'execute_after_dh_auto_clean' due to: target does not exist rm -f pymatgen/optimization/linear_assignment.c pymatgen/optimization/neighbors.c pymatgen/util/coord_cython.c rm -rf pd.json .hypothesis tmp_dir make[1]: Leaving directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' dh_autoreconf_clean -O--buildsystem=pybuild dh_clean -O--buildsystem=pybuild dpkg-source -b . dpkg-source: info: using options from pymatgen-2025.2.18+dfsg1/debian/source/options: --extend-diff-ignore=^[^/]*[.]egg-info/ dpkg-source: info: using source format '3.0 (quilt)' dpkg-source: info: building pymatgen using existing ./pymatgen_2025.2.18+dfsg1.orig.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: building pymatgen in pymatgen_2025.2.18+dfsg1-4.debian.tar.xz dpkg-source: info: building pymatgen in pymatgen_2025.2.18+dfsg1-4.dsc debian/rules binary debian/rules:100: update target 'binary' due to: target does not exist dh binary --buildsystem=pybuild dh_update_autotools_config -O--buildsystem=pybuild dh_autoreconf -O--buildsystem=pybuild dh_auto_configure -O--buildsystem=pybuild dh_auto_build -O--buildsystem=pybuild I: pybuild plugin_pyproject:129: Building wheel for python3.13 with "build" module I: pybuild base:311: python3.13 -m build --skip-dependency-check --no-isolation --wheel --outdir /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen * Building wheel... /usr/lib/python3/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated !! ******************************************************************************** Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). By 2026-Feb-18, you need to update your project and remove deprecated calls or your builds will no longer be supported. See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. ******************************************************************************** !! corresp(dist, value, root_dir) /usr/lib/python3/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. !! ******************************************************************************** Please consider removing the following classifiers in favor of a SPDX license expression: License :: OSI Approved :: MIT License See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. ******************************************************************************** !! dist._finalize_license_expression() /usr/lib/python3/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. !! ******************************************************************************** Please consider removing the following classifiers in favor of a SPDX license expression: License :: OSI Approved :: MIT License See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. ******************************************************************************** !! self._finalize_license_expression() running bdist_wheel running build running build_py creating build/lib.linux-x86_64-cpython-313/pymatgen copying src/pymatgen/dao.py -> build/lib.linux-x86_64-cpython-313/pymatgen creating build/lib.linux-x86_64-cpython-313/pymatgen/apps copying src/pymatgen/apps/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps creating build/lib.linux-x86_64-cpython-313/pymatgen/transformations copying src/pymatgen/transformations/site_transformations.py -> build/lib.linux-x86_64-cpython-313/pymatgen/transformations copying src/pymatgen/transformations/transformation_abc.py -> build/lib.linux-x86_64-cpython-313/pymatgen/transformations copying src/pymatgen/transformations/standard_transformations.py -> build/lib.linux-x86_64-cpython-313/pymatgen/transformations copying src/pymatgen/transformations/advanced_transformations.py -> build/lib.linux-x86_64-cpython-313/pymatgen/transformations copying src/pymatgen/transformations/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/transformations creating build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/composition.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/libxcfunc.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/surface.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/molecular_orbitals.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/lattice.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/units.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/spectrum.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/bonds.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/tensors.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/operations.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/structure.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/sites.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/interface.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/periodic_table.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/trajectory.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/ion.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/xcfunc.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core creating build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/ir_spectra.py -> build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/thermal_displacements.py -> build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/plotter.py -> build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/dos.py -> build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/bandstructure.py -> build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/gruneisen.py -> build/lib.linux-x86_64-cpython-313/pymatgen/phonon creating build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/shengbte.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/core.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/prismatic.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/multiwfn.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/ase.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/adf.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/common.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/cssr.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/babel.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/atat.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/xyz.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/openff.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/pwscf.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/cif.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/fiesta.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/xcrysden.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/lmto.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/gaussian.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/optimade.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/template.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/jarvis.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/icet.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/zeopp.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/phonopy.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/nwchem.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/packmol.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/wannier90.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/res.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/xr.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io creating build/lib.linux-x86_64-cpython-313/pymatgen/vis copying src/pymatgen/vis/plotters.py -> build/lib.linux-x86_64-cpython-313/pymatgen/vis copying src/pymatgen/vis/structure_vtk.py -> build/lib.linux-x86_64-cpython-313/pymatgen/vis copying src/pymatgen/vis/structure_chemview.py -> build/lib.linux-x86_64-cpython-313/pymatgen/vis copying src/pymatgen/vis/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/vis creating build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/core.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/cohp.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/boltztrap2.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/boltztrap.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/plotter.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/dos.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/bandstructure.py -> build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure creating build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/testing.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/num.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/coord.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/due.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/joblib.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/numba.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/string.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/graph_hashing.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/misc.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/typing.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/io_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/plotting.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/provenance.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util creating build/lib.linux-x86_64-cpython-313/pymatgen/ext copying src/pymatgen/ext/cod.py -> build/lib.linux-x86_64-cpython-313/pymatgen/ext copying src/pymatgen/ext/matproj.py -> build/lib.linux-x86_64-cpython-313/pymatgen/ext copying src/pymatgen/ext/optimade.py -> build/lib.linux-x86_64-cpython-313/pymatgen/ext copying src/pymatgen/ext/matproj_legacy.py -> build/lib.linux-x86_64-cpython-313/pymatgen/ext creating build/lib.linux-x86_64-cpython-313/pymatgen/optimization copying src/pymatgen/optimization/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/optimization creating build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/maggroups.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/settings.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/groups.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/structure.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/kpath.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/site_symmetries.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/analyzer.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/bandstructure.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry creating build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/compatibility.py -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/correction_calculator.py -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/entry_tools.py -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/exp_entries.py -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/computed_entries.py -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/mixing_scheme.py -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/entries creating build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/mcsqs_caller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/bader_caller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/gulp_caller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/chargemol_caller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/vampire_caller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/critic2_caller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/enumlib_caller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/energy_models.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/functional_groups.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/quasiharmonic.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/eos.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/fragmenter.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/cost.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/transition_state.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/bond_valence.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/chempot_diagram.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/thermochemistry.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/phase_diagram.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/molecule_matcher.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/xps.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/nmr.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/bond_dissociation.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/ewald.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/molecule_structure_comparator.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/reaction_calculator.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/disorder.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/piezo_sensitivity.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/interface_reactions.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/structure_matcher.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/structure_analyzer.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/wulff.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/quasirrho.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/prototypes.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/excitation.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/local_env.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/hhi.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/dimensionality.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/piezo.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/adsorption.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/pourbaix_diagram.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/graphs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/surface_analysis.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis creating build/lib.linux-x86_64-cpython-313/pymatgen/alchemy copying src/pymatgen/alchemy/filters.py -> build/lib.linux-x86_64-cpython-313/pymatgen/alchemy copying src/pymatgen/alchemy/materials.py -> build/lib.linux-x86_64-cpython-313/pymatgen/alchemy copying src/pymatgen/alchemy/transmuters.py -> build/lib.linux-x86_64-cpython-313/pymatgen/alchemy copying src/pymatgen/alchemy/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/alchemy creating build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/pmg_potcar.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/feff_plot_dos.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/pmg_plot.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/get_environment.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/pmg.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/pmg_structure.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/pmg_config.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/feff_plot_cross_section.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/pmg_analyze.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli copying src/pymatgen/cli/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli creating build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg copying src/pymatgen/apps/borg/hive.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg copying src/pymatgen/apps/borg/queen.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg copying src/pymatgen/apps/borg/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg creating build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery copying src/pymatgen/apps/battery/conversion_battery.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery copying src/pymatgen/apps/battery/battery_abc.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery copying src/pymatgen/apps/battery/insertion_battery.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery copying src/pymatgen/apps/battery/analyzer.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery copying src/pymatgen/apps/battery/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery copying src/pymatgen/apps/battery/plotter.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery creating build/lib.linux-x86_64-cpython-313/pymatgen/io/exciting copying src/pymatgen/io/exciting/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/exciting copying src/pymatgen/io/exciting/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/exciting creating build/lib.linux-x86_64-cpython-313/pymatgen/io/xtb copying src/pymatgen/io/xtb/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/xtb copying src/pymatgen/io/xtb/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/xtb copying src/pymatgen/io/xtb/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/xtb creating build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster copying src/pymatgen/io/lobster/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster copying src/pymatgen/io/lobster/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster copying src/pymatgen/io/lobster/lobsterenv.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster copying src/pymatgen/io/lobster/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster creating build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/sets.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/help.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/optics.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp creating build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/sets.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k creating build/lib.linux-x86_64-cpython-313/pymatgen/io/pwmat copying src/pymatgen/io/pwmat/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/pwmat copying src/pymatgen/io/pwmat/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/pwmat copying src/pymatgen/io/pwmat/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/pwmat creating build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/feff/sets.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/feff/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/feff/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/feff/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff creating build/lib.linux-x86_64-cpython-313/pymatgen/io/aims copying src/pymatgen/io/aims/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims copying src/pymatgen/io/aims/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims copying src/pymatgen/io/aims/parsers.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims copying src/pymatgen/io/aims/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims creating build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps copying src/pymatgen/io/lammps/sets.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps copying src/pymatgen/io/lammps/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps copying src/pymatgen/io/lammps/generators.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps copying src/pymatgen/io/lammps/data.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps copying src/pymatgen/io/lammps/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps copying src/pymatgen/io/lammps/utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps copying src/pymatgen/io/lammps/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps creating build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/generic_tags.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/jdftxinfile_master_format.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/jdftxinfile_ref_options.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/jdftxoutfileslice.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/_output_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/joutstructures.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/jminsettings.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/jelstep.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx copying src/pymatgen/io/jdftx/joutstructure.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx creating build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit copying src/pymatgen/io/abinit/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit copying src/pymatgen/io/abinit/netcdf.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit copying src/pymatgen/io/abinit/abitimer.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit copying src/pymatgen/io/abinit/variable.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit copying src/pymatgen/io/abinit/pseudos.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit copying src/pymatgen/io/abinit/abiobjects.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit copying src/pymatgen/io/abinit/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit creating build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem copying src/pymatgen/io/qchem/sets.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem copying src/pymatgen/io/qchem/inputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem copying src/pymatgen/io/qchem/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem copying src/pymatgen/io/qchem/utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem copying src/pymatgen/io/qchem/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem creating build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/core.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/bs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/magnetism.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/base.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/heisenberg.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/jahnteller.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/analyzer.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/gb copying src/pymatgen/analysis/gb/grain.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/gb copying src/pymatgen/analysis/gb/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/gb creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/strain.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/elastic.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/stress.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/coherent_interfaces.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/substrate_analyzer.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/zsl.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/topological copying src/pymatgen/analysis/topological/spillage.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/topological copying src/pymatgen/analysis/topological/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/topological creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ferroelectricity copying src/pymatgen/analysis/ferroelectricity/polarization.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ferroelectricity copying src/pymatgen/analysis/ferroelectricity/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ferroelectricity creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/core.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/neutron.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/xrd.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/tem.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar copying src/pymatgen/analysis/solar/slme.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar copying src/pymatgen/analysis/solar/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/volume_predictor.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/substitution_probability.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/substitutor.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/dopant_predictor.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv copying src/pymatgen/analysis/chemenv/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/xas copying src/pymatgen/analysis/xas/spectrum.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/xas copying src/pymatgen/analysis/xas/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/xas creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/voronoi.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/environment_nodes.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/connectivity_finder.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/structure_connectivity.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/connected_components.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/defs_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/func_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/scripts_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/chemenv_errors.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/math_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/chemenv_config.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/graph_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/py.typed -> build/lib.linux-x86_64-cpython-313/pymatgen copying src/pymatgen/core/bond_lengths.json -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/quad_data.json -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/libxc_docs.json -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/reconstructions_archive.json -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/func_groups.json -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/core/periodic_table.json -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/vis/ElementColorSchemes.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/vis copying src/pymatgen/util/plotly_chempot_layouts.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/plotly_interface_rxn_layouts.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util copying src/pymatgen/util/plotly_pd_layouts.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util creating build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/NaFePO4.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/TiO2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/TlBiSe2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Li3V2(PO4)3.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Li2O.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/LiFePO4.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Pb2TiZrO6.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/K2O2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Si_SiO2_Interface.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Graphite.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/CsCl.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Li10GeP2S12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Sn.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/He_BCC.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/VO2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/SiO2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/BaNiO3.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/SrTiO3.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Si.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/La2CoO4F.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/util/structures/Li2O2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util/structures copying src/pymatgen/symmetry/symm_data.json -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/symm_ops.json -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/symm_data_magnetic.sqlite -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/symm_ops.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/symm_data.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/entries/exp_compounds.json.gz -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/calc_compounds.json.gz -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/MITCompatibility.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/MP2020Compatibility.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/entries copying src/pymatgen/entries/MPCompatibility.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/entries creating build/lib.linux-x86_64-cpython-313/pymatgen/entries/data copying src/pymatgen/entries/data/g_els.json -> build/lib.linux-x86_64-cpython-313/pymatgen/entries/data copying src/pymatgen/entries/data/nist_gas_gf.json -> build/lib.linux-x86_64-cpython-313/pymatgen/entries/data copying src/pymatgen/analysis/costdb_elements.csv -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/hhi_data.csv -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/atomic_subshell_photoionization_cross_sections.csv -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/aflow_prototypes.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/ionic_radii.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/cn_opt_params.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/icsd_bv.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/op_params.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/bonds_jmol_ob.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/vesta_cutoffs.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis copying src/pymatgen/analysis/bvparam_1991.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis creating build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobster_basis copying src/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_standard.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobster_basis copying src/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_max.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobster_basis copying src/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_min.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobster_basis copying src/pymatgen/io/vasp/vasp_potcar_file_hashes.json -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/vasp_potcar_pymatgen_hashes.json -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/incar_parameters.json -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/potcar-summary-stats.json.bz2 -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MatPESStaticSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPHSERelaxSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/PBE64Base.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MP24RelaxSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/vdW_parameters.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/VASPIncarBase.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MITRelaxSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MVLGWSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPAbsorptionSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/PBE54Base.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPSCANRelaxSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MVLRelax52Set.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPRelaxSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp copying src/pymatgen/io/feff/MPELNESSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/feff/MPEXAFSSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/feff/MPXANESSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/feff/MPEXELFSSet.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff copying src/pymatgen/io/lammps/CoeffsDataType.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps creating build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/minimization.template -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/md.template -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/thermalization.template -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/msd.template -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates copying src/pymatgen/analysis/magnetism/default_magmoms.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism copying src/pymatgen/analysis/diffraction/atomic_scattering_params.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/neutron_scattering_length.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction copying src/pymatgen/analysis/solar/am1.5G.dat -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar copying src/pymatgen/analysis/structure_prediction/DLS_bond_params.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction creating build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/data copying src/pymatgen/analysis/structure_prediction/data/pair_correlation.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/data copying src/pymatgen/analysis/structure_prediction/data/lambda.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/data copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TI#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBSA#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#5.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DI#11.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SC#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6_explicit.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#5.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_3#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_1#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ET#7.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PCPA#11.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#11.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SA#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SY#4.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#4.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/A#2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#4.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#4.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PB#7.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#1.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_3#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/FO#7.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TC#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HB#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TS#3.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/MI#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#13.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBSA#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBT#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TL#3.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/AC#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_2#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#6.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/I#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TY#3.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#20.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_2#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DDPN#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_2#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/CO#11.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PA#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PBP#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_1#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HD#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_3#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#10.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SMA#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_2#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#5.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ST#7.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HP#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#11.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBT#8.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HA#12.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_1#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_1#9.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/L#2.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#6.json -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/allcg.txt -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files running build_ext Compiling src/pymatgen/optimization/linear_assignment.pyx because it changed. [1/1] Cythonizing src/pymatgen/optimization/linear_assignment.pyx building 'pymatgen.optimization.linear_assignment' extension creating build/temp.linux-x86_64-cpython-313/src/pymatgen/optimization x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2025.2.18+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I/usr/include/python3.13 -c src/pymatgen/optimization/linear_assignment.c -o build/temp.linux-x86_64-cpython-313/src/pymatgen/optimization/linear_assignment.o In file included from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarraytypes.h:1913, from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarrayobject.h:12, from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/arrayobject.h:5, from src/pymatgen/optimization/linear_assignment.c:1240: /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ x86_64-linux-gnu-gcc -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2025.2.18+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-cpython-313/src/pymatgen/optimization/linear_assignment.o -L/usr/lib/x86_64-linux-gnu -o build/lib.linux-x86_64-cpython-313/pymatgen/optimization/linear_assignment.cpython-313-x86_64-linux-gnu.so performance hint: src/pymatgen/util/coord_cython.pyx:36:5: Exception check on 'dot_2d' will always require the GIL to be acquired. Possible solutions: 1. Declare 'dot_2d' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'dot_2d' to allow an error code to be returned. performance hint: src/pymatgen/util/coord_cython.pyx:51:5: Exception check on 'dot_2d_mod' will always require the GIL to be acquired. Possible solutions: 1. Declare 'dot_2d_mod' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'dot_2d_mod' to allow an error code to be returned. warning: src/pymatgen/util/coord_cython.pyx:219:25: Non-trivial type declarators in shared declaration (e.g. mix of pointers and values). Each pointer declaration should be on its own line. warning: src/pymatgen/util/coord_cython.pyx:268:41: Non-trivial type declarators in shared declaration (e.g. mix of pointers and values). Each pointer declaration should be on its own line. Compiling src/pymatgen/util/coord_cython.pyx because it changed. [1/1] Cythonizing src/pymatgen/util/coord_cython.pyx building 'pymatgen.util.coord_cython' extension creating build/temp.linux-x86_64-cpython-313/src/pymatgen/util x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2025.2.18+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I/usr/include/python3.13 -c src/pymatgen/util/coord_cython.c -o build/temp.linux-x86_64-cpython-313/src/pymatgen/util/coord_cython.o In file included from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarraytypes.h:1913, from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarrayobject.h:12, from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/arrayobject.h:5, from src/pymatgen/util/coord_cython.c:1240: /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ x86_64-linux-gnu-gcc -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2025.2.18+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-cpython-313/src/pymatgen/util/coord_cython.o -L/usr/lib/x86_64-linux-gnu -o build/lib.linux-x86_64-cpython-313/pymatgen/util/coord_cython.cpython-313-x86_64-linux-gnu.so performance hint: src/pymatgen/optimization/neighbors.pyx:525:5: Exception check on 'get_bounds' will always require the GIL to be acquired. Possible solutions: 1. Declare 'get_bounds' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'get_bounds' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:552:5: Exception check on 'get_frac_coords' will always require the GIL to be acquired. Possible solutions: 1. Declare 'get_frac_coords' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'get_frac_coords' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:564:5: Exception check on 'matmul' will always require the GIL to be acquired. Possible solutions: 1. Declare 'matmul' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'matmul' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:582:5: Exception check on 'matrix_inv' will always require the GIL to be acquired. Possible solutions: 1. Declare 'matrix_inv' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'matrix_inv' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:610:5: Exception check on 'get_max_rep' will always require the GIL to be acquired. Possible solutions: 1. Declare 'get_max_rep' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'get_max_rep' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:626:5: Exception check on 'get_reciprocal_lattice' will always require the GIL to be acquired. Possible solutions: 1. Declare 'get_reciprocal_lattice' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'get_reciprocal_lattice' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:641:5: Exception check on 'recip_component' will always require the GIL to be acquired. Possible solutions: 1. Declare 'recip_component' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'recip_component' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:675:5: Exception check on 'cross' will always require the GIL to be acquired. Possible solutions: 1. Declare 'cross' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'cross' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:702:5: Exception check on 'get_max_and_min' will always require the GIL to be acquired. Possible solutions: 1. Declare 'get_max_and_min' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'get_max_and_min' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:726:5: Exception check on 'compute_cube_index' will always require the GIL to be acquired. Possible solutions: 1. Declare 'compute_cube_index' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'compute_cube_index' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:743:5: Exception check on 'three_to_one' will always require the GIL to be acquired. Possible solutions: 1. Declare 'three_to_one' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'three_to_one' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:778:5: Exception check on 'offset_cube' will always require the GIL to be acquired. Possible solutions: 1. Declare 'offset_cube' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'offset_cube' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:496:27: Exception check after calling 'offset_cube' will always require the GIL to be acquired. Possible solutions: 1. Declare 'offset_cube' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'offset_cube' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:541:19: Exception check after calling 'get_max_and_min' will always require the GIL to be acquired. Possible solutions: 1. Declare 'get_max_and_min' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'get_max_and_min' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:561:14: Exception check after calling 'matrix_inv' will always require the GIL to be acquired. Possible solutions: 1. Declare 'matrix_inv' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'matrix_inv' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:562:10: Exception check after calling 'matmul' will always require the GIL to be acquired. Possible solutions: 1. Declare 'matmul' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'matmul' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:635:23: Exception check after calling 'recip_component' will always require the GIL to be acquired. Possible solutions: 1. Declare 'recip_component' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'recip_component' to allow an error code to be returned. performance hint: src/pymatgen/optimization/neighbors.pyx:655:9: Exception check after calling 'cross' will always require the GIL to be acquired. Possible solutions: 1. Declare 'cross' as 'noexcept' if you control the definition and you're sure you don't want the function to raise exceptions. 2. Use an 'int' return type on 'cross' to allow an error code to be returned. Compiling src/pymatgen/optimization/neighbors.pyx because it changed. [1/1] Cythonizing src/pymatgen/optimization/neighbors.pyx building 'pymatgen.optimization.neighbors' extension x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2025.2.18+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I/usr/include/python3.13 -c src/pymatgen/optimization/neighbors.c -o build/temp.linux-x86_64-cpython-313/src/pymatgen/optimization/neighbors.o In file included from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarraytypes.h:1913, from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarrayobject.h:12, from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/arrayobject.h:5, from src/pymatgen/optimization/neighbors.c:1241: /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ src/pymatgen/optimization/neighbors.c: In function ‘__pyx_pf_8pymatgen_12optimization_9neighbors_find_points_in_spheres’: src/pymatgen/optimization/neighbors.c:21919:97: warning: passing argument 3 of ‘__pyx_f_8pymatgen_12optimization_9neighbors_get_bounds’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 21919 | __pyx_f_8pymatgen_12optimization_9neighbors_get_bounds(__pyx_v_frac_coords, __pyx_v_max_rep, (&(*((__pyx_t_5numpy_int64_t const *) ( /* dim=0 */ ((char *) (((__pyx_t_5numpy_int64_t const *) __pyx_v_pbc.data) + __pyx_t_30)) )))), __pyx_v_max_bounds, __pyx_v_min_bounds); if (unlikely(PyErr_Occurred())) __PYX_ERR(0, 172, __pyx_L1_error) | ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ src/pymatgen/optimization/neighbors.c:3263:98: note: expected ‘__pyx_t_5numpy_int64_t *’ {aka ‘long int *’} but argument is of type ‘const __pyx_t_5numpy_int64_t *’ {aka ‘const long int *’} 3263 | static void __pyx_f_8pymatgen_12optimization_9neighbors_get_bounds(__Pyx_memviewslice, double *, __pyx_t_5numpy_int64_t *, __pyx_t_5numpy_int64_t *, __pyx_t_5numpy_int64_t *); /*proto*/ | ^~~~~~~~~~~~~~~~~~~~~~~~ src/pymatgen/optimization/neighbors.c: In function ‘__pyx_f_8pymatgen_12optimization_9neighbors_recip_component’: src/pymatgen/optimization/neighbors.c:25983:54: warning: passing argument 1 of ‘__pyx_f_8pymatgen_12optimization_9neighbors_cross’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 25983 | __pyx_f_8pymatgen_12optimization_9neighbors_cross((&(*((double const *) ( /* dim=0 */ ((char *) (((double const *) __pyx_v_a2.data) + __pyx_t_1)) )))), (&(*((double const *) ( /* dim=0 */ ((char *) (((double const *) __pyx_v_a3.data) + __pyx_t_2)) )))), __pyx_v_ai_cross_aj); if (unlikely(__Pyx_ErrOccurredWithGIL())) __PYX_ERR(0, 655, __pyx_L1_error) | ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ src/pymatgen/optimization/neighbors.c:3272:63: note: expected ‘double *’ but argument is of type ‘const double *’ 3272 | static void __pyx_f_8pymatgen_12optimization_9neighbors_cross(double *, double *, double *); /*proto*/ | ^~~~~~~~ src/pymatgen/optimization/neighbors.c:25983:158: warning: passing argument 2 of ‘__pyx_f_8pymatgen_12optimization_9neighbors_cross’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 25983 | __pyx_f_8pymatgen_12optimization_9neighbors_cross((&(*((double const *) ( /* dim=0 */ ((char *) (((double const *) __pyx_v_a2.data) + __pyx_t_1)) )))), (&(*((double const *) ( /* dim=0 */ ((char *) (((double const *) __pyx_v_a3.data) + __pyx_t_2)) )))), __pyx_v_ai_cross_aj); if (unlikely(__Pyx_ErrOccurredWithGIL())) __PYX_ERR(0, 655, __pyx_L1_error) | ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ src/pymatgen/optimization/neighbors.c:3272:73: note: expected ‘double *’ but argument is of type ‘const double *’ 3272 | static void __pyx_f_8pymatgen_12optimization_9neighbors_cross(double *, double *, double *); /*proto*/ | ^~~~~~~~ src/pymatgen/optimization/neighbors.c:25993:66: warning: passing argument 1 of ‘__pyx_f_8pymatgen_12optimization_9neighbors_inner’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 25993 | __pyx_t_3 = __pyx_f_8pymatgen_12optimization_9neighbors_inner((&(*((double const *) ( /* dim=0 */ ((char *) (((double const *) __pyx_v_a1.data) + __pyx_t_2)) )))), __pyx_v_ai_cross_aj); if (unlikely(__pyx_t_3 == ((double)-1) && __Pyx_ErrOccurredWithGIL())) __PYX_ERR(0, 656, __pyx_L1_error) | ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ src/pymatgen/optimization/neighbors.c:3271:65: note: expected ‘double *’ but argument is of type ‘const double *’ 3271 | static double __pyx_f_8pymatgen_12optimization_9neighbors_inner(double *, double *); /*proto*/ | ^~~~~~~~ x86_64-linux-gnu-gcc -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2025.2.18+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-cpython-313/src/pymatgen/optimization/neighbors.o -L/usr/lib/x86_64-linux-gnu -o build/lib.linux-x86_64-cpython-313/pymatgen/optimization/neighbors.cpython-313-x86_64-linux-gnu.so installing to build/bdist.linux-x86_64/wheel running install running install_lib creating build/bdist.linux-x86_64/wheel creating build/bdist.linux-x86_64/wheel/pymatgen creating build/bdist.linux-x86_64/wheel/pymatgen/apps creating build/bdist.linux-x86_64/wheel/pymatgen/apps/borg copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg/hive.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/borg copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg/queen.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/borg copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/borg creating build/bdist.linux-x86_64/wheel/pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery/conversion_battery.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery/battery_abc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery/insertion_battery.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery/analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery/plotter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps creating build/bdist.linux-x86_64/wheel/pymatgen/transformations copying build/lib.linux-x86_64-cpython-313/pymatgen/transformations/site_transformations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-313/pymatgen/transformations/transformation_abc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-313/pymatgen/transformations/standard_transformations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-313/pymatgen/transformations/advanced_transformations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-313/pymatgen/transformations/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations creating build/bdist.linux-x86_64/wheel/pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/bond_lengths.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/composition.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/libxcfunc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/surface.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/molecular_orbitals.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/quad_data.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/lattice.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/units.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/spectrum.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/bonds.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/tensors.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/libxc_docs.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/reconstructions_archive.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/operations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/structure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/func_groups.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/sites.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/interface.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/periodic_table.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/trajectory.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/ion.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/periodic_table.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/xcfunc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-313/pymatgen/core/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core creating build/bdist.linux-x86_64/wheel/pymatgen/phonon copying build/lib.linux-x86_64-cpython-313/pymatgen/phonon/ir_spectra.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-313/pymatgen/phonon/thermal_displacements.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-313/pymatgen/phonon/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-313/pymatgen/phonon/plotter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-313/pymatgen/phonon/dos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-313/pymatgen/phonon/bandstructure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-313/pymatgen/phonon/gruneisen.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon creating build/bdist.linux-x86_64/wheel/pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/shengbte.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/prismatic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/multiwfn.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/exciting copying build/lib.linux-x86_64-cpython-313/pymatgen/io/exciting/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/exciting copying build/lib.linux-x86_64-cpython-313/pymatgen/io/exciting/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/exciting creating build/bdist.linux-x86_64/wheel/pymatgen/io/xtb copying build/lib.linux-x86_64-cpython-313/pymatgen/io/xtb/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/xtb copying build/lib.linux-x86_64-cpython-313/pymatgen/io/xtb/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/xtb copying build/lib.linux-x86_64-cpython-313/pymatgen/io/xtb/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/xtb copying build/lib.linux-x86_64-cpython-313/pymatgen/io/ase.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/adf.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/common.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/lobster creating build/bdist.linux-x86_64/wheel/pymatgen/io/lobster/lobster_basis copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_standard.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster/lobster_basis copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_max.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster/lobster_basis copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_min.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster/lobster_basis copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/lobsterenv.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster copying build/lib.linux-x86_64-cpython-313/pymatgen/io/cssr.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/babel.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/atat.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/xyz.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/openff.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/pwscf.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/cif.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MatPESStaticSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/potcar-summary-stats.json.bz2 -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MPHSERelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/PBE64Base.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/help.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MP24RelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/vasp_potcar_file_hashes.json -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/vdW_parameters.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/VASPIncarBase.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MITRelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MVLGWSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/vasp_potcar_pymatgen_hashes.json -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MPAbsorptionSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/PBE54Base.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MPSCANRelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/incar_parameters.json -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MVLRelax52Set.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/optics.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/MPRelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-313/pymatgen/io/fiesta.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/xcrysden.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k/utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-313/pymatgen/io/cp2k/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k creating build/bdist.linux-x86_64/wheel/pymatgen/io/pwmat copying build/lib.linux-x86_64-cpython-313/pymatgen/io/pwmat/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/pwmat copying build/lib.linux-x86_64-cpython-313/pymatgen/io/pwmat/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/pwmat copying build/lib.linux-x86_64-cpython-313/pymatgen/io/pwmat/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/pwmat copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lmto.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/MPELNESSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/MPEXAFSSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/MPXANESSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/MPEXELFSSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/feff/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-313/pymatgen/io/gaussian.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/optimade.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/template.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jarvis.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/icet.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/aims copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/parsers.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims creating build/bdist.linux-x86_64/wheel/pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets/bs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets/magnetism.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets/base.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/sets/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-313/pymatgen/io/aims/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims copying build/lib.linux-x86_64-cpython-313/pymatgen/io/zeopp.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps creating build/bdist.linux-x86_64/wheel/pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates/minimization.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates/md.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates/thermalization.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates/msd.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/generators.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/data.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/CoeffsDataType.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-313/pymatgen/io/phonopy.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/nwchem.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/generic_tags.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/jdftxinfile_master_format.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/jdftxinfile_ref_options.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/jdftxoutfileslice.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/_output_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/joutstructures.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/jminsettings.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/jelstep.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx copying build/lib.linux-x86_64-cpython-313/pymatgen/io/jdftx/joutstructure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/jdftx creating build/bdist.linux-x86_64/wheel/pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit/netcdf.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit/abitimer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit/variable.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit/pseudos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit/abiobjects.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/abinit/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-313/pymatgen/io/packmol.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/wannier90.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/res.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/xr.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem/utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-313/pymatgen/io/qchem/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem creating build/bdist.linux-x86_64/wheel/pymatgen/vis copying build/lib.linux-x86_64-cpython-313/pymatgen/vis/ElementColorSchemes.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-313/pymatgen/vis/plotters.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-313/pymatgen/vis/structure_vtk.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-313/pymatgen/vis/structure_chemview.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-313/pymatgen/vis/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis creating build/bdist.linux-x86_64/wheel/pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/cohp.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/boltztrap2.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/boltztrap.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/plotter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/dos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-313/pymatgen/electronic_structure/bandstructure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure creating build/bdist.linux-x86_64/wheel/pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/testing.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/coord_cython.cpython-313-x86_64-linux-gnu.so -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/num.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/plotly_chempot_layouts.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/coord.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/due.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/joblib.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/numba.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/string.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/graph_hashing.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util creating build/bdist.linux-x86_64/wheel/pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/NaFePO4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/TiO2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/TlBiSe2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Li3V2(PO4)3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Li2O.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/LiFePO4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Pb2TiZrO6.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/K2O2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Si_SiO2_Interface.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Graphite.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/CsCl.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Li10GeP2S12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Sn.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/He_BCC.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/VO2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/SiO2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/BaNiO3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/SrTiO3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Si.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/La2CoO4F.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/structures/Li2O2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-313/pymatgen/util/misc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/typing.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/io_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/plotting.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/provenance.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/plotly_interface_rxn_layouts.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/plotly_pd_layouts.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-313/pymatgen/util/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util creating build/bdist.linux-x86_64/wheel/pymatgen/ext copying build/lib.linux-x86_64-cpython-313/pymatgen/ext/cod.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext copying build/lib.linux-x86_64-cpython-313/pymatgen/ext/matproj.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext copying build/lib.linux-x86_64-cpython-313/pymatgen/ext/optimade.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext copying build/lib.linux-x86_64-cpython-313/pymatgen/ext/matproj_legacy.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext creating build/bdist.linux-x86_64/wheel/pymatgen/optimization copying build/lib.linux-x86_64-cpython-313/pymatgen/optimization/neighbors.cpython-313-x86_64-linux-gnu.so -> build/bdist.linux-x86_64/wheel/./pymatgen/optimization copying build/lib.linux-x86_64-cpython-313/pymatgen/optimization/linear_assignment.cpython-313-x86_64-linux-gnu.so -> build/bdist.linux-x86_64/wheel/./pymatgen/optimization copying build/lib.linux-x86_64-cpython-313/pymatgen/optimization/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/optimization copying build/lib.linux-x86_64-cpython-313/pymatgen/dao.py -> build/bdist.linux-x86_64/wheel/./pymatgen creating build/bdist.linux-x86_64/wheel/pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/maggroups.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/symm_ops.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/symm_data_magnetic.sqlite -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/settings.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/symm_data.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/groups.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/symm_data.json -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/structure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/kpath.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/site_symmetries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/symm_ops.json -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/bandstructure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry creating build/bdist.linux-x86_64/wheel/pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/exp_compounds.json.gz -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/MITCompatibility.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/compatibility.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/correction_calculator.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/entry_tools.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/calc_compounds.json.gz -> build/bdist.linux-x86_64/wheel/./pymatgen/entries creating build/bdist.linux-x86_64/wheel/pymatgen/entries/data copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/data/g_els.json -> build/bdist.linux-x86_64/wheel/./pymatgen/entries/data copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/data/nist_gas_gf.json -> build/bdist.linux-x86_64/wheel/./pymatgen/entries/data copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/MP2020Compatibility.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/exp_entries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/computed_entries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/mixing_scheme.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/MPCompatibility.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-313/pymatgen/entries/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries creating build/bdist.linux-x86_64/wheel/pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/mcsqs_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/bader_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/gulp_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/chargemol_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/vampire_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/critic2_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/enumlib_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line creating build/bdist.linux-x86_64/wheel/pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/energy_models.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism/default_magmoms.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism/heisenberg.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism/jahnteller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism/analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/functional_groups.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/quasiharmonic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/gb copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/gb/grain.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/gb copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/gb/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/gb creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity/strain.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity/elastic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity/stress.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/eos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/cn_opt_params.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces/coherent_interfaces.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces/substrate_analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces/zsl.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/topological copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/topological/spillage.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/topological copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/topological/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/topological creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/ferroelectricity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ferroelectricity/polarization.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/ferroelectricity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ferroelectricity/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/ferroelectricity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/fragmenter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/cost.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/transition_state.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/bond_valence.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chempot_diagram.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/thermochemistry.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/phase_diagram.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/icsd_bv.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/costdb_elements.csv -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/molecule_matcher.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/hhi_data.csv -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/xps.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/nmr.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/bond_dissociation.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ewald.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction/atomic_scattering_params.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction/neutron.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction/neutron_scattering_length.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction/xrd.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/diffraction/tem.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/molecule_structure_comparator.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/atomic_subshell_photoionization_cross_sections.csv -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/reaction_calculator.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/disorder.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/piezo_sensitivity.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/op_params.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/solar copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar/am1.5G.dat -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/solar copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar/slme.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/solar copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/solar copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interface_reactions.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_matcher.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/bonds_jmol_ob.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/volume_predictor.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/substitution_probability.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/substitutor.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/structure_prediction/data copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/data/pair_correlation.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction/data copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/data/lambda.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction/data copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/DLS_bond_params.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/dopant_predictor.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/wulff.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/quasirrho.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/prototypes.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/excitation.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/vesta_cutoffs.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/aflow_prototypes.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/chemenv creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/chemenv/coordination_environments creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TI#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBSA#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#5.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DI#11.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SC#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6_explicit.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#5.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_3#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_1#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ET#7.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PCPA#11.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#11.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SA#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SY#4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/A#2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PB#7.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#1.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_3#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/FO#7.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TC#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HB#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TS#3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/MI#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#13.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/allcg.txt -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBSA#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBT#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TL#3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/AC#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_2#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#6.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/I#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TY#3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#20.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_2#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DDPN#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_2#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/CO#11.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PA#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PBP#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_1#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HD#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_3#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#10.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SMA#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_2#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#5.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ST#7.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HP#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#11.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBT#8.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HA#12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_1#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_1#9.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/L#2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#6.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/voronoi.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity/environment_nodes.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity/connectivity_finder.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity/structure_connectivity.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity/connected_components.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/connectivity/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/defs_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/func_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/scripts_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/chemenv_errors.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/math_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/chemenv_config.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/graph_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/utils/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/local_env.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/hhi.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/dimensionality.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/piezo.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/adsorption.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/pourbaix_diagram.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/bvparam_1991.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/graphs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/xas copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/xas/spectrum.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/xas copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/xas/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/xas copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ionic_radii.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/surface_analysis.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/py.typed -> build/bdist.linux-x86_64/wheel/./pymatgen creating build/bdist.linux-x86_64/wheel/pymatgen/alchemy copying build/lib.linux-x86_64-cpython-313/pymatgen/alchemy/filters.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy copying build/lib.linux-x86_64-cpython-313/pymatgen/alchemy/materials.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy copying build/lib.linux-x86_64-cpython-313/pymatgen/alchemy/transmuters.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy copying build/lib.linux-x86_64-cpython-313/pymatgen/alchemy/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy creating build/bdist.linux-x86_64/wheel/pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/pmg_potcar.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/feff_plot_dos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/pmg_plot.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/get_environment.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/pmg.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/pmg_structure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/pmg_config.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/feff_plot_cross_section.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/pmg_analyze.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-313/pymatgen/cli/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli running install_egg_info running egg_info creating src/pymatgen.egg-info writing src/pymatgen.egg-info/PKG-INFO /usr/lib/python3/dist-packages/setuptools/_core_metadata.py:163: SetuptoolsDeprecationWarning: Invalid config. !! ******************************************************************************** newlines are not allowed in `summary` and will break in the future ******************************************************************************** !! write_field('Summary', single_line(summary)) writing dependency_links to src/pymatgen.egg-info/dependency_links.txt writing entry points to src/pymatgen.egg-info/entry_points.txt writing requirements to src/pymatgen.egg-info/requires.txt writing top-level names to src/pymatgen.egg-info/top_level.txt writing manifest file 'src/pymatgen.egg-info/SOURCES.txt' reading manifest file 'src/pymatgen.egg-info/SOURCES.txt' adding license file 'LICENSE' writing manifest file 'src/pymatgen.egg-info/SOURCES.txt' Copying src/pymatgen.egg-info to build/bdist.linux-x86_64/wheel/./pymatgen-2025.2.18.egg-info running install_scripts creating build/bdist.linux-x86_64/wheel/pymatgen-2025.2.18.dist-info/WHEEL creating '/build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/.tmp-fatcoplg/pymatgen-2025.2.18-cp313-cp313-linux_x86_64.whl' and adding 'build/bdist.linux-x86_64/wheel' to it adding 'pymatgen/dao.py' adding 'pymatgen/py.typed' adding 'pymatgen/alchemy/__init__.py' adding 'pymatgen/alchemy/filters.py' adding 'pymatgen/alchemy/materials.py' adding 'pymatgen/alchemy/transmuters.py' adding 'pymatgen/analysis/adsorption.py' adding 'pymatgen/analysis/aflow_prototypes.json' adding 'pymatgen/analysis/atomic_subshell_photoionization_cross_sections.csv' adding 'pymatgen/analysis/bond_dissociation.py' adding 'pymatgen/analysis/bond_valence.py' adding 'pymatgen/analysis/bonds_jmol_ob.yaml' adding 'pymatgen/analysis/bvparam_1991.yaml' adding 'pymatgen/analysis/chempot_diagram.py' adding 'pymatgen/analysis/cn_opt_params.yaml' adding 'pymatgen/analysis/cost.py' adding 'pymatgen/analysis/costdb_elements.csv' adding 'pymatgen/analysis/dimensionality.py' adding 'pymatgen/analysis/disorder.py' adding 'pymatgen/analysis/energy_models.py' adding 'pymatgen/analysis/eos.py' adding 'pymatgen/analysis/ewald.py' adding 'pymatgen/analysis/excitation.py' adding 'pymatgen/analysis/fragmenter.py' adding 'pymatgen/analysis/functional_groups.py' adding 'pymatgen/analysis/graphs.py' adding 'pymatgen/analysis/hhi.py' adding 'pymatgen/analysis/hhi_data.csv' adding 'pymatgen/analysis/icsd_bv.yaml' adding 'pymatgen/analysis/interface_reactions.py' adding 'pymatgen/analysis/ionic_radii.json' adding 'pymatgen/analysis/local_env.py' adding 'pymatgen/analysis/molecule_matcher.py' adding 'pymatgen/analysis/molecule_structure_comparator.py' adding 'pymatgen/analysis/nmr.py' adding 'pymatgen/analysis/op_params.yaml' adding 'pymatgen/analysis/phase_diagram.py' adding 'pymatgen/analysis/piezo.py' adding 'pymatgen/analysis/piezo_sensitivity.py' adding 'pymatgen/analysis/pourbaix_diagram.py' adding 'pymatgen/analysis/prototypes.py' adding 'pymatgen/analysis/quasiharmonic.py' adding 'pymatgen/analysis/quasirrho.py' adding 'pymatgen/analysis/reaction_calculator.py' adding 'pymatgen/analysis/structure_analyzer.py' adding 'pymatgen/analysis/structure_matcher.py' adding 'pymatgen/analysis/surface_analysis.py' adding 'pymatgen/analysis/thermochemistry.py' adding 'pymatgen/analysis/transition_state.py' adding 'pymatgen/analysis/vesta_cutoffs.yaml' adding 'pymatgen/analysis/wulff.py' adding 'pymatgen/analysis/xps.py' adding 'pymatgen/analysis/chemenv/__init__.py' adding 'pymatgen/analysis/chemenv/connectivity/__init__.py' adding 'pymatgen/analysis/chemenv/connectivity/connected_components.py' adding 'pymatgen/analysis/chemenv/connectivity/connectivity_finder.py' adding 'pymatgen/analysis/chemenv/connectivity/environment_nodes.py' adding 'pymatgen/analysis/chemenv/connectivity/structure_connectivity.py' adding 'pymatgen/analysis/chemenv/coordination_environments/__init__.py' adding 'pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py' adding 'pymatgen/analysis/chemenv/coordination_environments/structure_environments.py' adding 'pymatgen/analysis/chemenv/coordination_environments/voronoi.py' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/A#2.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/AC#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_1#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_2#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_3#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_1#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_2#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/CO#11.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#20.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DDPN#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DI#11.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ET#7.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/FO#7.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#11.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HA#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HB#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HD#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HP#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/I#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/L#2.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/MI#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6_explicit.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PA#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PB#7.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PBP#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PCPA#11.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#5.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#6.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#1.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#4.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#5.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SA#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBSA#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBT#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SC#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#11.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#13.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SMA#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#4.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ST#7.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SY#4.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#4.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#5.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#6.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBSA#10.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBT#8.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TC#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TI#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TL#3.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_1#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_2#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_3#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TS#3.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT#12.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_1#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_2#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_3#9.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TY#3.json' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/__init__.py' adding 'pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/allcg.txt' adding 'pymatgen/analysis/chemenv/utils/__init__.py' adding 'pymatgen/analysis/chemenv/utils/chemenv_config.py' adding 'pymatgen/analysis/chemenv/utils/chemenv_errors.py' adding 'pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py' adding 'pymatgen/analysis/chemenv/utils/defs_utils.py' adding 'pymatgen/analysis/chemenv/utils/func_utils.py' adding 'pymatgen/analysis/chemenv/utils/graph_utils.py' adding 'pymatgen/analysis/chemenv/utils/math_utils.py' adding 'pymatgen/analysis/chemenv/utils/scripts_utils.py' adding 'pymatgen/analysis/diffraction/__init__.py' adding 'pymatgen/analysis/diffraction/atomic_scattering_params.json' adding 'pymatgen/analysis/diffraction/core.py' adding 'pymatgen/analysis/diffraction/neutron.py' adding 'pymatgen/analysis/diffraction/neutron_scattering_length.json' adding 'pymatgen/analysis/diffraction/tem.py' adding 'pymatgen/analysis/diffraction/xrd.py' adding 'pymatgen/analysis/elasticity/__init__.py' adding 'pymatgen/analysis/elasticity/elastic.py' adding 'pymatgen/analysis/elasticity/strain.py' adding 'pymatgen/analysis/elasticity/stress.py' adding 'pymatgen/analysis/ferroelectricity/__init__.py' adding 'pymatgen/analysis/ferroelectricity/polarization.py' adding 'pymatgen/analysis/gb/__init__.py' adding 'pymatgen/analysis/gb/grain.py' adding 'pymatgen/analysis/interfaces/__init__.py' adding 'pymatgen/analysis/interfaces/coherent_interfaces.py' adding 'pymatgen/analysis/interfaces/substrate_analyzer.py' adding 'pymatgen/analysis/interfaces/zsl.py' adding 'pymatgen/analysis/magnetism/__init__.py' adding 'pymatgen/analysis/magnetism/analyzer.py' adding 'pymatgen/analysis/magnetism/default_magmoms.yaml' adding 'pymatgen/analysis/magnetism/heisenberg.py' adding 'pymatgen/analysis/magnetism/jahnteller.py' adding 'pymatgen/analysis/solar/__init__.py' adding 'pymatgen/analysis/solar/am1.5G.dat' adding 'pymatgen/analysis/solar/slme.py' adding 'pymatgen/analysis/structure_prediction/DLS_bond_params.yaml' adding 'pymatgen/analysis/structure_prediction/__init__.py' adding 'pymatgen/analysis/structure_prediction/dopant_predictor.py' adding 'pymatgen/analysis/structure_prediction/substitution_probability.py' adding 'pymatgen/analysis/structure_prediction/substitutor.py' adding 'pymatgen/analysis/structure_prediction/volume_predictor.py' adding 'pymatgen/analysis/structure_prediction/data/lambda.json' adding 'pymatgen/analysis/structure_prediction/data/pair_correlation.json' adding 'pymatgen/analysis/topological/__init__.py' adding 'pymatgen/analysis/topological/spillage.py' adding 'pymatgen/analysis/xas/__init__.py' adding 'pymatgen/analysis/xas/spectrum.py' adding 'pymatgen/apps/__init__.py' adding 'pymatgen/apps/battery/__init__.py' adding 'pymatgen/apps/battery/analyzer.py' adding 'pymatgen/apps/battery/battery_abc.py' adding 'pymatgen/apps/battery/conversion_battery.py' adding 'pymatgen/apps/battery/insertion_battery.py' adding 'pymatgen/apps/battery/plotter.py' adding 'pymatgen/apps/borg/__init__.py' adding 'pymatgen/apps/borg/hive.py' adding 'pymatgen/apps/borg/queen.py' adding 'pymatgen/cli/__init__.py' adding 'pymatgen/cli/feff_plot_cross_section.py' adding 'pymatgen/cli/feff_plot_dos.py' adding 'pymatgen/cli/get_environment.py' adding 'pymatgen/cli/pmg.py' adding 'pymatgen/cli/pmg_analyze.py' adding 'pymatgen/cli/pmg_config.py' adding 'pymatgen/cli/pmg_plot.py' adding 'pymatgen/cli/pmg_potcar.py' adding 'pymatgen/cli/pmg_structure.py' adding 'pymatgen/command_line/__init__.py' adding 'pymatgen/command_line/bader_caller.py' adding 'pymatgen/command_line/chargemol_caller.py' adding 'pymatgen/command_line/critic2_caller.py' adding 'pymatgen/command_line/enumlib_caller.py' adding 'pymatgen/command_line/gulp_caller.py' adding 'pymatgen/command_line/mcsqs_caller.py' adding 'pymatgen/command_line/vampire_caller.py' adding 'pymatgen/core/__init__.py' adding 'pymatgen/core/bond_lengths.json' adding 'pymatgen/core/bonds.py' adding 'pymatgen/core/composition.py' adding 'pymatgen/core/func_groups.json' adding 'pymatgen/core/interface.py' adding 'pymatgen/core/ion.py' adding 'pymatgen/core/lattice.py' adding 'pymatgen/core/libxc_docs.json' adding 'pymatgen/core/libxcfunc.py' adding 'pymatgen/core/molecular_orbitals.py' adding 'pymatgen/core/operations.py' adding 'pymatgen/core/periodic_table.json' adding 'pymatgen/core/periodic_table.py' adding 'pymatgen/core/quad_data.json' adding 'pymatgen/core/reconstructions_archive.json' adding 'pymatgen/core/sites.py' adding 'pymatgen/core/spectrum.py' adding 'pymatgen/core/structure.py' adding 'pymatgen/core/surface.py' adding 'pymatgen/core/tensors.py' adding 'pymatgen/core/trajectory.py' adding 'pymatgen/core/units.py' adding 'pymatgen/core/xcfunc.py' adding 'pymatgen/electronic_structure/__init__.py' adding 'pymatgen/electronic_structure/bandstructure.py' adding 'pymatgen/electronic_structure/boltztrap.py' adding 'pymatgen/electronic_structure/boltztrap2.py' adding 'pymatgen/electronic_structure/cohp.py' adding 'pymatgen/electronic_structure/core.py' adding 'pymatgen/electronic_structure/dos.py' adding 'pymatgen/electronic_structure/plotter.py' adding 'pymatgen/entries/MITCompatibility.yaml' adding 'pymatgen/entries/MP2020Compatibility.yaml' adding 'pymatgen/entries/MPCompatibility.yaml' adding 'pymatgen/entries/__init__.py' adding 'pymatgen/entries/calc_compounds.json.gz' adding 'pymatgen/entries/compatibility.py' adding 'pymatgen/entries/computed_entries.py' adding 'pymatgen/entries/correction_calculator.py' adding 'pymatgen/entries/entry_tools.py' adding 'pymatgen/entries/exp_compounds.json.gz' adding 'pymatgen/entries/exp_entries.py' adding 'pymatgen/entries/mixing_scheme.py' adding 'pymatgen/entries/data/g_els.json' adding 'pymatgen/entries/data/nist_gas_gf.json' adding 'pymatgen/ext/cod.py' adding 'pymatgen/ext/matproj.py' adding 'pymatgen/ext/matproj_legacy.py' adding 'pymatgen/ext/optimade.py' adding 'pymatgen/io/adf.py' adding 'pymatgen/io/ase.py' adding 'pymatgen/io/atat.py' adding 'pymatgen/io/babel.py' adding 'pymatgen/io/cif.py' adding 'pymatgen/io/common.py' adding 'pymatgen/io/core.py' adding 'pymatgen/io/cssr.py' adding 'pymatgen/io/fiesta.py' adding 'pymatgen/io/gaussian.py' adding 'pymatgen/io/icet.py' adding 'pymatgen/io/jarvis.py' adding 'pymatgen/io/lmto.py' adding 'pymatgen/io/multiwfn.py' adding 'pymatgen/io/nwchem.py' adding 'pymatgen/io/openff.py' adding 'pymatgen/io/optimade.py' adding 'pymatgen/io/packmol.py' adding 'pymatgen/io/phonopy.py' adding 'pymatgen/io/prismatic.py' adding 'pymatgen/io/pwscf.py' adding 'pymatgen/io/res.py' adding 'pymatgen/io/shengbte.py' adding 'pymatgen/io/template.py' adding 'pymatgen/io/wannier90.py' adding 'pymatgen/io/xcrysden.py' adding 'pymatgen/io/xr.py' adding 'pymatgen/io/xyz.py' adding 'pymatgen/io/zeopp.py' adding 'pymatgen/io/abinit/__init__.py' adding 'pymatgen/io/abinit/abiobjects.py' adding 'pymatgen/io/abinit/abitimer.py' adding 'pymatgen/io/abinit/inputs.py' adding 'pymatgen/io/abinit/netcdf.py' adding 'pymatgen/io/abinit/pseudos.py' adding 'pymatgen/io/abinit/variable.py' adding 'pymatgen/io/aims/__init__.py' adding 'pymatgen/io/aims/inputs.py' adding 'pymatgen/io/aims/outputs.py' adding 'pymatgen/io/aims/parsers.py' adding 'pymatgen/io/aims/sets/__init__.py' adding 'pymatgen/io/aims/sets/base.py' adding 'pymatgen/io/aims/sets/bs.py' adding 'pymatgen/io/aims/sets/core.py' adding 'pymatgen/io/aims/sets/magnetism.py' adding 'pymatgen/io/cp2k/__init__.py' adding 'pymatgen/io/cp2k/inputs.py' adding 'pymatgen/io/cp2k/outputs.py' adding 'pymatgen/io/cp2k/sets.py' adding 'pymatgen/io/cp2k/utils.py' adding 'pymatgen/io/exciting/__init__.py' adding 'pymatgen/io/exciting/inputs.py' adding 'pymatgen/io/feff/MPELNESSet.yaml' adding 'pymatgen/io/feff/MPEXAFSSet.yaml' adding 'pymatgen/io/feff/MPEXELFSSet.yaml' adding 'pymatgen/io/feff/MPXANESSet.yaml' adding 'pymatgen/io/feff/__init__.py' adding 'pymatgen/io/feff/inputs.py' adding 'pymatgen/io/feff/outputs.py' adding 'pymatgen/io/feff/sets.py' adding 'pymatgen/io/jdftx/__init__.py' adding 'pymatgen/io/jdftx/_output_utils.py' adding 'pymatgen/io/jdftx/generic_tags.py' adding 'pymatgen/io/jdftx/inputs.py' adding 'pymatgen/io/jdftx/jdftxinfile_master_format.py' adding 'pymatgen/io/jdftx/jdftxinfile_ref_options.py' adding 'pymatgen/io/jdftx/jdftxoutfileslice.py' adding 'pymatgen/io/jdftx/jelstep.py' adding 'pymatgen/io/jdftx/jminsettings.py' adding 'pymatgen/io/jdftx/joutstructure.py' adding 'pymatgen/io/jdftx/joutstructures.py' adding 'pymatgen/io/jdftx/outputs.py' adding 'pymatgen/io/lammps/CoeffsDataType.yaml' adding 'pymatgen/io/lammps/__init__.py' adding 'pymatgen/io/lammps/data.py' adding 'pymatgen/io/lammps/generators.py' adding 'pymatgen/io/lammps/inputs.py' adding 'pymatgen/io/lammps/outputs.py' adding 'pymatgen/io/lammps/sets.py' adding 'pymatgen/io/lammps/utils.py' adding 'pymatgen/io/lammps/templates/md.template' adding 'pymatgen/io/lammps/templates/minimization.template' adding 'pymatgen/io/lammps/templates/msd.template' adding 'pymatgen/io/lammps/templates/thermalization.template' adding 'pymatgen/io/lobster/__init__.py' adding 'pymatgen/io/lobster/inputs.py' adding 'pymatgen/io/lobster/lobsterenv.py' adding 'pymatgen/io/lobster/outputs.py' adding 'pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_max.yaml' adding 'pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_min.yaml' adding 'pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_standard.yaml' adding 'pymatgen/io/pwmat/__init__.py' adding 'pymatgen/io/pwmat/inputs.py' adding 'pymatgen/io/pwmat/outputs.py' adding 'pymatgen/io/qchem/__init__.py' adding 'pymatgen/io/qchem/inputs.py' adding 'pymatgen/io/qchem/outputs.py' adding 'pymatgen/io/qchem/sets.py' adding 'pymatgen/io/qchem/utils.py' adding 'pymatgen/io/vasp/MITRelaxSet.yaml' adding 'pymatgen/io/vasp/MP24RelaxSet.yaml' adding 'pymatgen/io/vasp/MPAbsorptionSet.yaml' adding 'pymatgen/io/vasp/MPHSERelaxSet.yaml' adding 'pymatgen/io/vasp/MPRelaxSet.yaml' adding 'pymatgen/io/vasp/MPSCANRelaxSet.yaml' adding 'pymatgen/io/vasp/MVLGWSet.yaml' adding 'pymatgen/io/vasp/MVLRelax52Set.yaml' adding 'pymatgen/io/vasp/MatPESStaticSet.yaml' adding 'pymatgen/io/vasp/PBE54Base.yaml' adding 'pymatgen/io/vasp/PBE64Base.yaml' adding 'pymatgen/io/vasp/VASPIncarBase.yaml' adding 'pymatgen/io/vasp/__init__.py' adding 'pymatgen/io/vasp/help.py' adding 'pymatgen/io/vasp/incar_parameters.json' adding 'pymatgen/io/vasp/inputs.py' adding 'pymatgen/io/vasp/optics.py' adding 'pymatgen/io/vasp/outputs.py' adding 'pymatgen/io/vasp/potcar-summary-stats.json.bz2' adding 'pymatgen/io/vasp/sets.py' adding 'pymatgen/io/vasp/vasp_potcar_file_hashes.json' adding 'pymatgen/io/vasp/vasp_potcar_pymatgen_hashes.json' adding 'pymatgen/io/vasp/vdW_parameters.yaml' adding 'pymatgen/io/xtb/__init__.py' adding 'pymatgen/io/xtb/inputs.py' adding 'pymatgen/io/xtb/outputs.py' adding 'pymatgen/optimization/__init__.py' adding 'pymatgen/optimization/linear_assignment.cpython-313-x86_64-linux-gnu.so' adding 'pymatgen/optimization/neighbors.cpython-313-x86_64-linux-gnu.so' adding 'pymatgen/phonon/__init__.py' adding 'pymatgen/phonon/bandstructure.py' adding 'pymatgen/phonon/dos.py' adding 'pymatgen/phonon/gruneisen.py' adding 'pymatgen/phonon/ir_spectra.py' adding 'pymatgen/phonon/plotter.py' adding 'pymatgen/phonon/thermal_displacements.py' adding 'pymatgen/symmetry/__init__.py' adding 'pymatgen/symmetry/analyzer.py' adding 'pymatgen/symmetry/bandstructure.py' adding 'pymatgen/symmetry/groups.py' adding 'pymatgen/symmetry/kpath.py' adding 'pymatgen/symmetry/maggroups.py' adding 'pymatgen/symmetry/settings.py' adding 'pymatgen/symmetry/site_symmetries.py' adding 'pymatgen/symmetry/structure.py' adding 'pymatgen/symmetry/symm_data.json' adding 'pymatgen/symmetry/symm_data.yaml' adding 'pymatgen/symmetry/symm_data_magnetic.sqlite' adding 'pymatgen/symmetry/symm_ops.json' adding 'pymatgen/symmetry/symm_ops.yaml' adding 'pymatgen/transformations/__init__.py' adding 'pymatgen/transformations/advanced_transformations.py' adding 'pymatgen/transformations/site_transformations.py' adding 'pymatgen/transformations/standard_transformations.py' adding 'pymatgen/transformations/transformation_abc.py' adding 'pymatgen/util/__init__.py' adding 'pymatgen/util/coord.py' adding 'pymatgen/util/coord_cython.cpython-313-x86_64-linux-gnu.so' adding 'pymatgen/util/due.py' adding 'pymatgen/util/graph_hashing.py' adding 'pymatgen/util/io_utils.py' adding 'pymatgen/util/joblib.py' adding 'pymatgen/util/misc.py' adding 'pymatgen/util/num.py' adding 'pymatgen/util/numba.py' adding 'pymatgen/util/plotly_chempot_layouts.json' adding 'pymatgen/util/plotly_interface_rxn_layouts.json' adding 'pymatgen/util/plotly_pd_layouts.json' adding 'pymatgen/util/plotting.py' adding 'pymatgen/util/provenance.py' adding 'pymatgen/util/string.py' adding 'pymatgen/util/testing.py' adding 'pymatgen/util/typing.py' adding 'pymatgen/util/structures/BaNiO3.json' adding 'pymatgen/util/structures/CsCl.json' adding 'pymatgen/util/structures/Graphite.json' adding 'pymatgen/util/structures/He_BCC.json' adding 'pymatgen/util/structures/K2O2.json' adding 'pymatgen/util/structures/La2CoO4F.json' adding 'pymatgen/util/structures/Li10GeP2S12.json' adding 'pymatgen/util/structures/Li2O.json' adding 'pymatgen/util/structures/Li2O2.json' adding 'pymatgen/util/structures/Li3V2(PO4)3.json' adding 'pymatgen/util/structures/LiFePO4.json' adding 'pymatgen/util/structures/NaFePO4.json' adding 'pymatgen/util/structures/Pb2TiZrO6.json' adding 'pymatgen/util/structures/Si.json' adding 'pymatgen/util/structures/SiO2.json' adding 'pymatgen/util/structures/Si_SiO2_Interface.json' adding 'pymatgen/util/structures/Sn.json' adding 'pymatgen/util/structures/SrTiO3.json' adding 'pymatgen/util/structures/TiO2.json' adding 'pymatgen/util/structures/TlBiSe2.json' adding 'pymatgen/util/structures/VO2.json' adding 'pymatgen/vis/ElementColorSchemes.yaml' adding 'pymatgen/vis/__init__.py' adding 'pymatgen/vis/plotters.py' adding 'pymatgen/vis/structure_chemview.py' adding 'pymatgen/vis/structure_vtk.py' adding 'pymatgen-2025.2.18.dist-info/licenses/LICENSE' adding 'pymatgen-2025.2.18.dist-info/METADATA' adding 'pymatgen-2025.2.18.dist-info/WHEEL' adding 'pymatgen-2025.2.18.dist-info/entry_points.txt' adding 'pymatgen-2025.2.18.dist-info/top_level.txt' adding 'pymatgen-2025.2.18.dist-info/RECORD' removing build/bdist.linux-x86_64/wheel Successfully built pymatgen-2025.2.18-cp313-cp313-linux_x86_64.whl I: pybuild plugin_pyproject:144: Unpacking wheel built for python3.13 with "installer" module debian/rules execute_after_dh_auto_build-indep make[1]: Entering directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' debian/rules:110: update target 'execute_after_dh_auto_build-indep' due to: target does not exist PYTHONPATH=/build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build \ sphinx-build docs/apidoc build/html Running Sphinx v8.1.3 loading translations [en]... done making output directory... done WARNING: html_static_path entry 'assets' does not exist WARNING: favicon file 'favicon.ico' does not exist Converting `source_suffix = '.rst'` to `source_suffix = {'.rst': 'restructuredtext'}`. building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 50 source files that are out of date updating environment: [new config] 50 added, 0 changed, 0 removed reading sources... [ 2%] index The 道 of Pymatgen 1. Great code enables great materials science. 2. Comprehensive tests ensure robustness. 3. Clear documentation leads to more usage. 4. More usage improves code quality (and increases citations). 5. Even complex scientific ideas can be broken down into simple interfaces. 6. Deep (Hulk-level) understanding is often necessary to develop the right interface design. 7. Slow and accurate is better than fast and wrong. 8. But efficiency matters for core classes. 9. Code entropy always increases in a closed system. 10. Constant refactoring is the hallmark of an open platform. --- First Coder reading sources... [ 4%] modules reading sources... [ 6%] pymatgen reading sources... [ 8%] pymatgen.alchemy reading sources... 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[ 60%] pymatgen.io /usr/lib/python3.13/importlib/__init__.py:88: UserWarning: To use the pymatgen.io.openff module install openff-toolkit and openff-unitswith `conda install -c conda-forge openff-toolkit openff-units`. return _bootstrap._gcd_import(name[level:], package, level) reading sources... [ 62%] pymatgen.io.abinit reading sources... [ 64%] pymatgen.io.aims reading sources... [ 66%] pymatgen.io.aims.sets reading sources... [ 68%] pymatgen.io.cp2k reading sources... [ 70%] pymatgen.io.exciting reading sources... [ 72%] pymatgen.io.feff reading sources... [ 74%] pymatgen.io.jdftx reading sources... [ 76%] pymatgen.io.lammps reading sources... [ 78%] pymatgen.io.lobster reading sources... [ 80%] pymatgen.io.pwmat reading sources... [ 82%] pymatgen.io.qchem reading sources... [ 84%] pymatgen.io.vasp reading sources... [ 86%] pymatgen.io.xtb reading sources... [ 88%] pymatgen.optimization reading sources... [ 90%] pymatgen.phonon reading sources... 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[docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/graphs.py:docstring of pymatgen.analysis.graphs.MoleculeGraph.substitute_group:19: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/graphs.py:docstring of pymatgen.analysis.graphs.StructureGraph.insert_node:15: WARNING: Field list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/graphs.py:docstring of pymatgen.analysis.graphs.StructureGraph.substitute_group:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/graphs.py:docstring of pymatgen.analysis.graphs.StructureGraph.substitute_group:20: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/interface_reactions.py:docstring of pymatgen.analysis.interface_reactions.InterfacialReactivity.labels:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.CrystalNN:28: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.CrystalNN:34: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.CrystalNN:39: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.CutOffDictNN:17: WARNING: Field list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:9: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:12: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:16: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:20: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:24: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:25: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:34: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:36: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:39: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:40: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:42: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:46: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:54: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.VoronoiNN.get_all_voronoi_polyhedra:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.VoronoiNN.get_voronoi_polyhedra:14: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/nmr.py:docstring of pymatgen.analysis.nmr.ElectricFieldGradient.coupling_constant:8: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.CompoundPhaseDiagram.num2str:6: WARNING: Field list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PDEntry.energy:1: WARNING: duplicate object description of pymatgen.analysis.phase_diagram.PDEntry.energy, other instance in pymatgen.analysis, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PDPlotter:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PDPlotter:27: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PhaseDiagram:5: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PhaseDiagram:9: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PhaseDiagram.get_phase_separation_energy:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PhaseDiagram.get_phase_separation_energy:16: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.order_phase_diagram:17: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/quasiharmonic.py:docstring of pymatgen.analysis.quasiharmonic.QuasiHarmonicDebyeApprox:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/quasiharmonic.py:docstring of pymatgen.analysis.quasiharmonic.QuasiHarmonicDebyeApprox.gruneisen_parameter:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/quasiharmonic.py:docstring of pymatgen.analysis.quasiharmonic.QuasiHarmonicDebyeApprox.gruneisen_parameter:9: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/quasiharmonic.py:docstring of pymatgen.analysis.quasiharmonic.QuasiharmonicDebyeApprox:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/structure_analyzer.py:docstring of pymatgen.analysis.structure_analyzer.VoronoiAnalyzer:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/structure_matcher.py:docstring of pymatgen.analysis.structure_matcher.StructureMatcher:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/structure_matcher.py:docstring of pymatgen.analysis.structure_matcher.StructureMatcher:15: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/structure_matcher.py:docstring of pymatgen.analysis.structure_matcher.StructureMatcher.get_transformation:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/surface_analysis.py:docstring of pymatgen.analysis.surface_analysis:6: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/surface_analysis.py:docstring of pymatgen.analysis.surface_analysis:24: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/surface_analysis.py:docstring of pymatgen.analysis.surface_analysis:28: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/wulff.py:docstring of pymatgen.analysis.wulff.WulffShape.shape_factor:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/xps.py:docstring of pymatgen.analysis.xps.XPS:8: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/xps.py:docstring of pymatgen.analysis.xps.XPS:12: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/connectivity/connected_components.py:docstring of pymatgen.analysis.chemenv.connectivity.connected_components.ConnectedComponent.coordination_sequence:24: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/connectivity/connected_components.py:docstring of pymatgen.analysis.chemenv.connectivity.connected_components.ConnectedComponent.coordination_sequence:26: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/connectivity/connected_components.py:docstring of pymatgen.analysis.chemenv.connectivity.connected_components.ConnectedComponent.coordination_sequence:29: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/connectivity/connected_components.py:docstring of pymatgen.analysis.chemenv.connectivity.connected_components.ConnectedComponent.coordination_sequence:33: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py:docstring of pymatgen.analysis.chemenv.coordination_environments.coordination_geometries:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py:docstring of pymatgen.analysis.chemenv.coordination_environments.coordination_geometries:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py:docstring of pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.voronoi_grid_surface_points:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py:docstring of pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.voronoi_grid_surface_points:10: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py:docstring of pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.voronoi_grid_surface_points:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py:docstring of pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.voronoi_grid_surface_points:20: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.collinear:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.diamond_functions:19: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.diamond_functions:19: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.diamond_functions:20: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.diamond_functions:21: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.diamond_functions:22: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.diamond_functions:22: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.collinear:5: ERROR: Undefined substitution referenced: "p2-p1". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py:docstring of pymatgen.analysis.chemenv.utils.coordination_geometry_utils.collinear:5: ERROR: Undefined substitution referenced: "p2-p1". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/diffraction/tem.py:docstring of pymatgen.analysis.diffraction.tem.TEMCalculator:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/diffraction/tem.py:docstring of pymatgen.analysis.diffraction.tem.TEMCalculator:4: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/diffraction/tem.py:docstring of pymatgen.analysis.diffraction.tem.TEMCalculator.cell_intensity:1: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/elasticity/elastic.py:docstring of pymatgen.analysis.elasticity.elastic.generate_pseudo:14: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization:34: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization.Polarization:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization.Polarization:7: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization.Polarization:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization.Polarization:16: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization.Polarization.get_same_branch_polarization_data:35: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/interfaces/zsl.py:docstring of pymatgen.analysis.interfaces.zsl.ZSLGenerator:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/interfaces/zsl.py:docstring of pymatgen.analysis.interfaces.zsl.ZSLGenerator:10: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/interfaces/zsl.py:docstring of pymatgen.analysis.interfaces.zsl.ZSLGenerator:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/magnetism/analyzer.py:docstring of pymatgen.analysis.magnetism.analyzer.CollinearMagneticStructureAnalyzer:14: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/magnetism/analyzer.py:docstring of pymatgen.analysis.magnetism.analyzer.CollinearMagneticStructureAnalyzer:16: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/structure_prediction/substitutor.py:docstring of pymatgen.analysis.structure_prediction.substitutor.Substitutor.pred_from_list:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/structure_prediction/substitutor.py:docstring of pymatgen.analysis.structure_prediction.substitutor.Substitutor.pred_from_list:10: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/xas/spectrum.py:docstring of pymatgen.analysis.xas.spectrum.XAS.stitch:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/analysis/xas/spectrum.py:docstring of pymatgen.analysis.xas.spectrum.XAS.stitch:10: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractElectrode.framework_formula:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractElectrode.framework_formula, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractElectrode.voltage_pairs:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractElectrode.voltage_pairs, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion_entry:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion_entry, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_charge:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_charge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_discharge:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_discharge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework_formula:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework_formula, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mAh:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mAh, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_charge:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_charge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_discharge:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_discharge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_charge:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_charge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_discharge:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_discharge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.voltage:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.voltage, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/battery_abc.py:docstring of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion_entry:1: WARNING: duplicate object description of pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion_entry, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/conversion_battery.py:docstring of pymatgen.apps.battery.conversion_battery.ConversionElectrode:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/conversion_battery.py:docstring of pymatgen.apps.battery.conversion_battery.ConversionElectrode:11: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/conversion_battery.py:docstring of pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.entries_charge:1: WARNING: duplicate object description of pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.entries_charge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/conversion_battery.py:docstring of pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.entries_discharge:1: WARNING: duplicate object description of pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.entries_discharge, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/apps/battery/conversion_battery.py:docstring of pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.rxn:1: WARNING: duplicate object description of pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.rxn, other instance in pymatgen.apps.battery, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/chargemol_caller.py:docstring of pymatgen.command_line.chargemol_caller.ChargemolAnalysis.summary:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/chargemol_caller.py:docstring of pymatgen.command_line.chargemol_caller.ChargemolAnalysis.summary:11: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/chargemol_caller.py:docstring of pymatgen.command_line.chargemol_caller.ChargemolAnalysis.summary:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/chargemol_caller.py:docstring of pymatgen.command_line.chargemol_caller.ChargemolAnalysis.summary:14: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/chargemol_caller.py:docstring of pymatgen.command_line.chargemol_caller.ChargemolAnalysis.summary:15: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/critic2_caller.py:docstring of pymatgen.command_line.critic2_caller:25: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/critic2_caller.py:docstring of pymatgen.command_line.critic2_caller:26: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/critic2_caller.py:docstring of pymatgen.command_line.critic2_caller.Critic2Caller.from_chgcar:21: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/critic2_caller.py:docstring of pymatgen.command_line.critic2_caller.Critic2Caller.from_chgcar:22: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/enumlib_caller.py:docstring of pymatgen.command_line.enumlib_caller:12: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/enumlib_caller.py:docstring of pymatgen.command_line.enumlib_caller:15: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/enumlib_caller.py:docstring of pymatgen.command_line.enumlib_caller:18: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/enumlib_caller.py:docstring of pymatgen.command_line.enumlib_caller:22: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/mcsqs_caller.py:docstring of pymatgen.command_line.mcsqs_caller.run_mcsqs:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/mcsqs_caller.py:docstring of pymatgen.command_line.mcsqs_caller.run_mcsqs:6: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/mcsqs_caller.py:docstring of pymatgen.command_line.mcsqs_caller.run_mcsqs:13: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/command_line/vampire_caller.py:docstring of pymatgen.command_line.vampire_caller.VampireCaller:74: ERROR: Unknown directive type "todo". .. todo:: * Create input files in a temp folder that gets cleaned up after run terminates [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/bonds.py:docstring of pymatgen.core.bonds.obtain_all_bond_lengths:14: ERROR: Unknown directive type "todo". .. todo:: it's better to avoid using float as dict keys. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/composition.py:docstring of pymatgen.core.composition.Composition:8: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/composition.py:docstring of pymatgen.core.composition.Composition:16: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/composition.py:docstring of pymatgen.core.composition.Composition:76: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/composition.py:docstring of pymatgen.core.composition.Composition:80: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/composition.py:docstring of pymatgen.core.composition.Composition:100: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/composition.py:docstring of pymatgen.core.composition.Composition.to_data_dict:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/ion.py:docstring of pymatgen.core.ion.Ion.to_reduced_dict:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.DummySpecies.A:1: WARNING: duplicate object description of pymatgen.core.periodic_table.DummySpecies.A, other instance in pymatgen.core, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.DummySpecies.X:1: WARNING: duplicate object description of pymatgen.core.periodic_table.DummySpecies.X, other instance in pymatgen.core, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.DummySpecies.Z:1: WARNING: duplicate object description of pymatgen.core.periodic_table.DummySpecies.Z, other instance in pymatgen.core, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.DummySpecies.oxi_state:1: WARNING: duplicate object description of pymatgen.core.periodic_table.DummySpecies.oxi_state, other instance in pymatgen.core, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.Element:218: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.Element:229: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.ElementBase:218: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.ElementBase:229: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.ElementBase.atomic_orbitals_eV:1: WARNING: duplicate object description of pymatgen.core.periodic_table.ElementBase.atomic_orbitals_eV, other instance in pymatgen.core, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.ElementBase.electronic_structure:1: WARNING: duplicate object description of pymatgen.core.periodic_table.ElementBase.electronic_structure, other instance in pymatgen.core, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.ElementBase.electronic_structure:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.ElementBase.electronic_structure:4: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.ElementBase.full_electronic_structure:18: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.Species.electronic_structure:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.Species.electronic_structure:4: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/periodic_table.py:docstring of pymatgen.core.periodic_table.Species.full_electronic_structure:18: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/sites.py:docstring of pymatgen.core.sites.PeriodicSite:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/sites.py:docstring of pymatgen.core.sites.PeriodicSite:11: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/sites.py:docstring of pymatgen.core.sites.Site:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/sites.py:docstring of pymatgen.core.sites.Site:14: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/spectrum.py:docstring of pymatgen.core.spectrum.Spectrum:16: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/spectrum.py:docstring of pymatgen.core.spectrum.Spectrum:20: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/structure.py:docstring of pymatgen.core.structure.IStructure.matches:9: WARNING: Inline strong start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/structure.py:docstring of pymatgen.core.structure.PeriodicNeighbor:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/surface.py:docstring of pymatgen.core.surface:8: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/surface.py:docstring of pymatgen.core.surface.ReconstructionGenerator:29: ERROR: Unknown directive type "todo". .. todo:: - Right now there is no way to specify what atom is being added. Use basis sets in the future? [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/surface.py:docstring of pymatgen.core.surface.ReconstructionGenerator:64: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/surface.py:docstring of pymatgen.core.surface.ReconstructionGenerator:66: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/surface.py:docstring of pymatgen.core.surface.ReconstructionGenerator:74: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/surface.py:docstring of pymatgen.core.surface.Slab.get_surface_sites:20: ERROR: Unknown directive type "todo". .. todo:: Is there a way to determine site equivalence between sites in a slab and bulk system? This would allow us get the coordination number of a specific site for multi-elemental systems or systems with more than one inequivalent site. This will allow us to use this for compound systems. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/trajectory.py:docstring of pymatgen.core.trajectory.Trajectory:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/trajectory.py:docstring of pymatgen.core.trajectory.Trajectory:14: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/trajectory.py:docstring of pymatgen.core.trajectory.Trajectory.from_ase:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/trajectory.py:docstring of pymatgen.core.trajectory.Trajectory.from_ase:14: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/trajectory.py:docstring of pymatgen.core.trajectory.Trajectory.to_ase:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/trajectory.py:docstring of pymatgen.core.trajectory.Trajectory.to_ase:8: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/units.py:docstring of pymatgen.core.units:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/units.py:docstring of pymatgen.core.units:8: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/units.py:docstring of pymatgen.core.units.unitized:14: ERROR: Unexpected indentation. [docutils] WARNING: Failed to get a method signature for pymatgen.core.xcfunc.XcFunc.name: is not a callable object WARNING: Failed to get a method signature for pymatgen.core.xcfunc.XcFunc.type: is not a callable object /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/libxcfunc.py:docstring of pymatgen.core.libxcfunc.LibxcFunc.all_kinds:1: ERROR: Unknown target name: "xc". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/xcfunc.py:docstring of pymatgen.core.xcfunc.XcFunc:29: ERROR: Unknown target name: "xc". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/bandstructure.py:docstring of pymatgen.electronic_structure.bandstructure.BandStructure.get_cbm:4: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/bandstructure.py:docstring of pymatgen.electronic_structure.bandstructure.BandStructure.get_vbm:4: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/boltztrap.py:docstring of pymatgen.electronic_structure.boltztrap.BoltztrapAnalyzer.check_acc_bzt_bands:10: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/boltztrap.py:docstring of pymatgen.electronic_structure.boltztrap.BoltztrapAnalyzer.check_acc_bzt_bands:13: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/boltztrap.py:docstring of pymatgen.electronic_structure.boltztrap.BoltztrapAnalyzer.check_acc_bzt_bands:20: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/boltztrap.py:docstring of pymatgen.electronic_structure.boltztrap.BoltztrapAnalyzer.get_extreme:24: ERROR: Unexpected indentation. [docutils] WARNING: autodoc: failed to import module 'boltztrap2' from module 'pymatgen.electronic_structure'; the following exception was raised: BoltzTraP2 has to be installed and working [autodoc.import_object] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpCollection.are_cobis:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpCollection.are_cobis, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpCollection.are_coops:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpCollection.are_coops, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpCollection.is_spin_polarized:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpCollection.is_spin_polarized, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue:71: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue:73: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue:74: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue.are_cobis:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpValue.are_cobis, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue.are_coops:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpValue.are_coops, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue.icohp:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpValue.icohp, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue.num_bonds:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpValue.num_bonds, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue.summed_icohp:1: WARNING: duplicate object description of pymatgen.electronic_structure.cohp.IcohpValue.summed_icohp, other instance in pymatgen.electronic_structure, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.get_integrated_cohp_in_energy_range:19: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/core.py:docstring of pymatgen.electronic_structure.core.Magmom:8: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/core.py:docstring of pymatgen.electronic_structure.core.Magmom:12: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/core.py:docstring of pymatgen.electronic_structure.core.Magmom:20: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/core.py:docstring of pymatgen.electronic_structure.core.Magmom:24: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_band_center:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_band_kurtosis:5: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_band_skewness:5: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_band_width:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_band_width:4: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_n_moment:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_n_moment:4: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.LobsterCompleteDos.get_site_orbital_dos:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.LobsterCompleteDos.get_site_orbital_dos:9: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/plotter.py:docstring of pymatgen.electronic_structure.plotter.BSPlotterProjected.get_projected_plots_dots:9: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/plotter.py:docstring of pymatgen.electronic_structure.plotter.DosPlotter:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/entries/correction_calculator.py:docstring of pymatgen.entries.correction_calculator.CorrectionCalculator.compute_corrections:8: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/entries/mixing_scheme.py:docstring of pymatgen.entries.mixing_scheme.MaterialsProjectDFTMixingScheme.get_mixing_state_data:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/common.py:docstring of pymatgen.io.common.VolumetricData:31: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/common.py:docstring of pymatgen.io.common.VolumetricData.to_hdf5:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/common.py:docstring of pymatgen.io.common.VolumetricData.to_hdf5:10: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/common.py:docstring of pymatgen.io.common.VolumetricData.to_hdf5:11: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianInput:16: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput:57: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput:63: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput:64: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput.get_scan_plot:1: WARNING: duplicate object description of pymatgen.io.gaussian.GaussianOutput.get_scan_plot, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput.get_spectre_plot:14: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput.read_scan:1: WARNING: duplicate object description of pymatgen.io.gaussian.GaussianOutput.read_scan, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput.save_scan_plot:1: WARNING: duplicate object description of pymatgen.io.gaussian.GaussianOutput.save_scan_plot, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput.to_input:1: WARNING: duplicate object description of pymatgen.io.gaussian.GaussianOutput.to_input, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/icet.py:docstring of pymatgen.io.icet.IcetSQS.enumerate_sqs_structures:14: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lmto.py:docstring of pymatgen.io.lmto.LMTOCopl:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/multiwfn.py:docstring of pymatgen.io.multiwfn.map_atoms_cps:16: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/multiwfn.py:docstring of pymatgen.io.multiwfn.match_atom_cp:18: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/packmol.py:docstring of pymatgen.io.packmol:5: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/packmol.py:docstring of pymatgen.io.packmol.PackmolBoxGen.get_input_set:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/packmol.py:docstring of pymatgen.io.packmol.PackmolBoxGen.get_input_set:9: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/packmol.py:docstring of pymatgen.io.packmol.PackmolBoxGen.get_input_set:15: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/phonopy.py:docstring of pymatgen.io.phonopy.get_gruneisen_ph_bs_symm_line:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/phonopy.py:docstring of pymatgen.io.phonopy.get_ph_bs_symm_line:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/pwscf.py:docstring of pymatgen.io.pwscf.PWInput:42: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/shengbte.py:docstring of pymatgen.io.shengbte.Control:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/shengbte.py:docstring of pymatgen.io.shengbte.Control:16: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/wannier90.py:docstring of pymatgen.io.wannier90.Unk.data:1: WARNING: duplicate object description of pymatgen.io.wannier90.Unk.data, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/wannier90.py:docstring of pymatgen.io.wannier90.Unk.ik:1: WARNING: duplicate object description of pymatgen.io.wannier90.Unk.ik, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/wannier90.py:docstring of pymatgen.io.wannier90.Unk.is_noncollinear:1: WARNING: duplicate object description of pymatgen.io.wannier90.Unk.is_noncollinear, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/wannier90.py:docstring of pymatgen.io.wannier90.Unk.nbnd:1: WARNING: duplicate object description of pymatgen.io.wannier90.Unk.nbnd, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/wannier90.py:docstring of pymatgen.io.wannier90.Unk.ng:1: WARNING: duplicate object description of pymatgen.io.wannier90.Unk.ng, other instance in pymatgen.io, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/zeopp.py:docstring of pymatgen.io.zeopp:10: WARNING: Title underline too short. Zeo++ Installation Steps: ======================== [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/zeopp.py:docstring of pymatgen.io.zeopp:15: WARNING: Title underline too short. Zeo++ Post-Installation Checking: ============================== [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/zeopp.py:docstring of pymatgen.io.zeopp:15: WARNING: Title underline too short. Zeo++ Post-Installation Checking: ============================== [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/zeopp.py:docstring of pymatgen.io.zeopp:19: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cif.py:docstring of pymatgen.io.cif.CifBlock:9: ERROR: Unknown target name: "data". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/abiobjects.py:docstring of pymatgen.io.abinit.abiobjects.structure_from_abivars:14: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/abitimer.py:docstring of pymatgen.io.abinit.abitimer.AbinitTimerParser:10: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/abitimer.py:docstring of pymatgen.io.abinit.abitimer.AbinitTimerParser.walk:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ShiftMode:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.calc_shiftk:30: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.calc_shiftk:37: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] WARNING: Failed to get a method signature for pymatgen.io.abinit.netcdf.EtsfReader.chemical_symbols: is not a callable object WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.ae_core_density: is not a callable object WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.ae_partial_waves: is not a callable object WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.projector_functions: is not a callable object WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.pseudo_core_density: is not a callable object WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.root: is not a callable object WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.Pseudo.md5: is not a callable object /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.gth_header:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.oncvpsp_header:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.oncvpsp_header:6: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.oncvpsp_header:9: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.tm_header:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:6: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:8: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:14: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:20: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:21: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:23: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:30: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:31: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:38: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:40: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:47: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.PawAbinitHeader.paw_header:48: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.BasicAbinitInput:3: ERROR: Undefined substitution referenced: "Structure". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.BasicAbinitInput:6: ERROR: Undefined substitution referenced: "Pseudo". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.BasicAbinitInput:6: ERROR: Undefined substitution referenced: "PseudoTable". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.BasicAbinitInput.pseudos:1: ERROR: Undefined substitution referenced: "Pseudo". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.BasicAbinitInput.structure:1: ERROR: Undefined substitution referenced: "Structure". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.BasicMultiDataset:35: ERROR: Undefined substitution referenced: "Structure". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ebands_input:1: ERROR: Undefined substitution referenced: "BasicMultiDataset". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ebands_input:3: ERROR: Undefined substitution referenced: "Structure". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ebands_input:4: ERROR: Undefined substitution referenced: "Pseudo". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ebands_input:4: ERROR: Undefined substitution referenced: "PseudoTable". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.gs_input:3: ERROR: Undefined substitution referenced: "Structure". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.gs_input:4: ERROR: Undefined substitution referenced: "Pseudo". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.gs_input:4: ERROR: Undefined substitution referenced: "PseudoTable". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ion_ioncell_relax_input:1: ERROR: Undefined substitution referenced: "BasicMultiDataset". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ion_ioncell_relax_input:4: ERROR: Undefined substitution referenced: "Structure". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ion_ioncell_relax_input:5: ERROR: Undefined substitution referenced: "Pseudo". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ion_ioncell_relax_input:5: ERROR: Undefined substitution referenced: "PseudoTable". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.num_valence_electrons:3: ERROR: Undefined substitution referenced: "Pseudo". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.edges:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.edges, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.elf_type:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.elf_type, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.filename:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.filename, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.format:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.format, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.kpoint:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.kpoint, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.origin:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.origin, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.points:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.points, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.spin_state:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.spin_state, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsCube.type:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsCube.type, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsSpeciesFile.data:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsSpeciesFile.data, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/inputs.py:docstring of pymatgen.io.aims.inputs.AimsSpeciesFile.label:1: WARNING: duplicate object description of pymatgen.io.aims.inputs.AimsSpeciesFile.label, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/parsers.py:docstring of pymatgen.io.aims.parsers.AimsOutChunk.lines:1: WARNING: duplicate object description of pymatgen.io.aims.parsers.AimsOutChunk.lines, other instance in pymatgen.io.aims, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/base.py:docstring of pymatgen.io.aims.sets.base.AimsInputGenerator.use_structure_charge:1: WARNING: duplicate object description of pymatgen.io.aims.sets.base.AimsInputGenerator.use_structure_charge, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/base.py:docstring of pymatgen.io.aims.sets.base.AimsInputGenerator.user_kpoints_settings:1: WARNING: duplicate object description of pymatgen.io.aims.sets.base.AimsInputGenerator.user_kpoints_settings, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/base.py:docstring of pymatgen.io.aims.sets.base.AimsInputGenerator.user_params:1: WARNING: duplicate object description of pymatgen.io.aims.sets.base.AimsInputGenerator.user_params, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/bs.py:docstring of pymatgen.io.aims.sets.bs.BandStructureSetGenerator.calc_type:1: WARNING: duplicate object description of pymatgen.io.aims.sets.bs.BandStructureSetGenerator.calc_type, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/bs.py:docstring of pymatgen.io.aims.sets.bs.BandStructureSetGenerator.k_point_density:1: WARNING: duplicate object description of pymatgen.io.aims.sets.bs.BandStructureSetGenerator.k_point_density, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/bs.py:docstring of pymatgen.io.aims.sets.bs.GWSetGenerator.calc_type:1: WARNING: duplicate object description of pymatgen.io.aims.sets.bs.GWSetGenerator.calc_type, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/bs.py:docstring of pymatgen.io.aims.sets.bs.GWSetGenerator.k_point_density:1: WARNING: duplicate object description of pymatgen.io.aims.sets.bs.GWSetGenerator.k_point_density, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.RelaxSetGenerator.calc_type:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.RelaxSetGenerator.calc_type, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.RelaxSetGenerator.max_force:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.RelaxSetGenerator.max_force, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.RelaxSetGenerator.method:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.RelaxSetGenerator.method, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.RelaxSetGenerator.relax_cell:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.RelaxSetGenerator.relax_cell, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.SocketIOSetGenerator.calc_type:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.SocketIOSetGenerator.calc_type, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.SocketIOSetGenerator.host:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.SocketIOSetGenerator.host, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.SocketIOSetGenerator.port:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.SocketIOSetGenerator.port, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/core.py:docstring of pymatgen.io.aims.sets.core.StaticSetGenerator.calc_type:1: WARNING: duplicate object description of pymatgen.io.aims.sets.core.StaticSetGenerator.calc_type, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/aims/sets/magnetism.py:docstring of pymatgen.io.aims.sets.magnetism.MagneticStaticSetGenerator.calc_type:1: WARNING: duplicate object description of pymatgen.io.aims.sets.magnetism.MagneticStaticSetGenerator.calc_type, other instance in pymatgen.io.aims.sets, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.AtomicMetadata.alias_names:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.AtomicMetadata.alias_names, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.AtomicMetadata.element:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.AtomicMetadata.element, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.AtomicMetadata.filename:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.AtomicMetadata.filename, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.AtomicMetadata.info:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.AtomicMetadata.info, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.AtomicMetadata.name:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.AtomicMetadata.name, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.AtomicMetadata.potential:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.AtomicMetadata.potential, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.AtomicMetadata.version:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.AtomicMetadata.version, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.admm:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.admm, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.cc:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.cc, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.contracted:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.contracted, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.core:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.core, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.diffuse:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.diffuse, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.electrons:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.electrons, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.lri:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.lri, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.molopt:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.molopt, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.pc:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.pc, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.polarization:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.polarization, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.sr:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.sr, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.valence:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.valence, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.BasisInfo.xc:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.BasisInfo.xc, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Davidson:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Davidson:10: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Davidson:19: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.coefficients:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.coefficients, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.exponents:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.exponents, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.info:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.info, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.lmax:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.lmax, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.lmin:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.lmin, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.n:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.n, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.nset:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.nset, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.nshell:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GaussianTypeOrbitalBasisSet.nshell, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.c_exp_ppl:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.c_exp_ppl, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.hprj_ppnl:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.hprj_ppnl, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.n_elecs:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.n_elecs, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.nexp_ppl:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.nexp_ppl, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.nprj:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.nprj, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.nprj_ppnl:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.nprj_ppnl, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.r_loc:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.r_loc, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.GthPotential.radii:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.GthPotential.radii, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.KpointSet:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Kpoint_Set:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.PotentialInfo.electrons:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.PotentialInfo.electrons, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.PotentialInfo.nlcc:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.PotentialInfo.nlcc, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.PotentialInfo.potential_type:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.PotentialInfo.potential_type, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.PotentialInfo.xc:1: WARNING: duplicate object description of pymatgen.io.cp2k.inputs.PotentialInfo.xc, other instance in pymatgen.io.cp2k, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Scf:14: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Scf:15: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Scf:19: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Section.update:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Section.update:17: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/outputs.py:docstring of pymatgen.io.cp2k.outputs.parse_pdos:22: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.CellOptSet:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.DftSet:25: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.DftSet.get_basis_and_potential:21: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.DftSet.print_v_hartree:3: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.HybridCellOptSet:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.HybridRelaxSet:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.HybridStaticSet:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.RelaxSet:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.StaticSet:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/utils.py:docstring of pymatgen.io.cp2k.utils.preprocessor:10: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/utils.py:docstring of pymatgen.io.cp2k.utils.preprocessor:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/cp2k/utils.py:docstring of pymatgen.io.cp2k.utils.preprocessor:13: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/exciting/inputs.py:docstring of pymatgen.io.exciting.inputs.ExcitingInput.lockxyz:1: WARNING: duplicate object description of pymatgen.io.exciting.inputs.ExcitingInput.lockxyz, other instance in pymatgen.io.exciting, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/feff/inputs.py:docstring of pymatgen.io.feff.inputs.Header:6: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/feff/inputs.py:docstring of pymatgen.io.feff.inputs.Header.from_str:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/feff/sets.py:docstring of pymatgen.io.feff.sets.FEFFDictSet:26: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/inputs.py:docstring of pymatgen.io.jdftx.inputs.JDFTXStructure.selective_dynamics:1: WARNING: duplicate object description of pymatgen.io.jdftx.inputs.JDFTXStructure.selective_dynamics, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/inputs.py:docstring of pymatgen.io.jdftx.inputs.JDFTXStructure.sort_structure:1: WARNING: duplicate object description of pymatgen.io.jdftx.inputs.JDFTXStructure.sort_structure, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/inputs.py:docstring of pymatgen.io.jdftx.inputs.JDFTXStructure.structure:1: WARNING: duplicate object description of pymatgen.io.jdftx.inputs.JDFTXStructure.structure, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxinfile_master_format.py:docstring of pymatgen.io.jdftx.jdftxinfile_master_format:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxinfile_master_format.py:docstring of pymatgen.io.jdftx.jdftxinfile_master_format:6: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:373: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:374: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:383: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:383: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:385: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:387: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:388: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:394: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:394: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:396: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:398: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:405: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice:407: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.a:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.a, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_coords:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_coords, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_coords_final:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_coords_final, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_coords_initial:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_coords_initial, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_elements:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_elements, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_elements_int:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_elements_int, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_types:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.atom_types, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.b:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.b, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.broadening:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.broadening, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.broadening_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.broadening_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.c:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.c, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.efermi:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.efermi, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.egap:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.egap, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.emax:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.emax, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.emin:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.emin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.etype:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.etype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.fftgrid:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.fftgrid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.fluid:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.fluid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.geom_opt:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.geom_opt, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.geom_opt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.geom_opt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.has_eigstats:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.has_eigstats, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.has_parsable_pseudo:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.has_parsable_pseudo, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.has_solvation:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.has_solvation, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.homo:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.homo, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.homo_filling:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.homo_filling, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.is_bgw:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.is_bgw, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.is_gc:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.is_gc, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.is_metal:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.is_metal, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_electronic:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_electronic, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_fluid:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_fluid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_ionic:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_ionic, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_lattice:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jsettings_lattice, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jstrucs:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.jstrucs, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.kgrid:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.kgrid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lattice:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lattice, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lattice_final:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lattice_final, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lattice_initial:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lattice_initial, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lumo:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lumo, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lumo_filling:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.lumo_filling, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.nat:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.nat, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.nbands:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.nbands, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.nspin:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.nspin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.pp_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.pp_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.prefix:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.prefix, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.pwcut:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.pwcut, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.rhocut:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.rhocut, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.semicore_electrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.semicore_electrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.semicore_electrons_uncharged:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.semicore_electrons_uncharged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.spintype:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.spintype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.total_electrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.total_electrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.total_electrons_uncharged:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.total_electrons_uncharged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.truncation_radius:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.truncation_radius, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.truncation_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.truncation_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.valence_electrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.valence_electrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.valence_electrons_uncharged:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.valence_electrons_uncharged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jdftxoutfileslice.py:docstring of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.xc_func:1: WARNING: duplicate object description of pymatgen.io.jdftx.jdftxoutfileslice.JDFTXOutfileSlice.xc_func, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.abs_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.abs_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.e:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.etype:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.etype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.mu:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.mu, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.nelectrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.nelectrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.opt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.opt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.subspacerotationadjust:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.subspacerotationadjust, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.t_s:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.t_s, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElStep.tot_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElStep.tot_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.abs_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.abs_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.converged:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.converged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.converged_reason:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.converged_reason, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.e:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.etype:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.etype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.iter_flag:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.iter_flag, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.mu:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.mu, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.nelectrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.nelectrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.opt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.opt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.slices:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.slices, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.subspacerotationadjust:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.subspacerotationadjust, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.t_s:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.t_s, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/jelstep.py:docstring of pymatgen.io.jdftx.jelstep.JElSteps.tot_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.jelstep.JElSteps.tot_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure:9: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.abs_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.abs_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.e:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.ecomponents:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.ecomponents, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_e:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.elec_nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.elecmindata:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.elecmindata, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.emin_flag:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.emin_flag, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.eopt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.eopt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.etype:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.etype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.geom_converged:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.geom_converged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.geom_converged_reason:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.geom_converged_reason, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.line_types:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.line_types, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.mu:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.mu, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.nelectrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.nelectrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.opt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.opt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.selective_dynamics:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.selective_dynamics, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.strain:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.strain, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.stress:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.stress, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.structure:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.structure, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.t_s:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.t_s, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructure.py:docstring of pymatgen.io.jdftx.joutstructure.JOutStructure.tot_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructure.JOutStructure.tot_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures:111: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures:162: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.abs_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.abs_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.charges:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.charges, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.e:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.ecomponents:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.ecomponents, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_converged:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_converged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_converged_reason:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_converged_reason, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_e:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elec_nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.elecmindata:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.elecmindata, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.emin_flag:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.emin_flag, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.eopt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.eopt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.etype:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.etype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.geom_converged:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.geom_converged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.geom_converged_reason:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.geom_converged_reason, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.magnetic_moments:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.magnetic_moments, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.mu:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.mu, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.opt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.opt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.out_slice_start_flag:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.out_slice_start_flag, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.selective_dynamics:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.selective_dynamics, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.slices:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.slices, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.strain:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.strain, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.stress:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.stress, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.structure:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.structure, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/joutstructures.py:docstring of pymatgen.io.jdftx.joutstructures.JOutStructures.tot_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.joutstructures.JOutStructures.tot_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile:434: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile:485: WARNING: Inline substitution_reference start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile:508: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.a:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.a, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.abs_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.abs_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_coords:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_coords, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_coords_final:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_coords_final, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_coords_initial:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_coords_initial, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_elements:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_elements, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_elements_int:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_elements_int, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_types:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.atom_types, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.b:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.b, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.broadening:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.broadening, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.broadening_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.broadening_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.c:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.c, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.converged:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.converged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.e:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.efermi:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.efermi, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.egap:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.egap, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_alpha:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_alpha, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_e:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_e, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.elec_nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.elecmindata:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.elecmindata, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.emax:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.emax, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.emin:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.emin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.eopt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.eopt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.etype:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.etype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.fftgrid:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.fftgrid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.fluid:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.fluid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.geom_opt:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.geom_opt, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.geom_opt_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.geom_opt_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.grad_k:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.grad_k, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.has_solvation:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.has_solvation, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.homo:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.homo, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.homo_filling:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.homo_filling, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.is_gc:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.is_gc, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.is_metal:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.is_metal, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_electronic:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_electronic, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_fluid:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_fluid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_ionic:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_ionic, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_lattice:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.jsettings_lattice, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.jstrucs:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.jstrucs, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.kgrid:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.kgrid, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.lattice:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.lattice, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.lattice_final:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.lattice_final, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.lattice_initial:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.lattice_initial, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.linmin:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.linmin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.lumo:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.lumo, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.lumo_filling:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.lumo_filling, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.mu:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.mu, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.nat:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.nat, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.nbands:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.nbands, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.nspin:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.nspin, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.nstep:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.nstep, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.pp_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.pp_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.prefix:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.prefix, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.pwcut:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.pwcut, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.rhocut:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.rhocut, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.semicore_electrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.semicore_electrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.semicore_electrons_uncharged:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.semicore_electrons_uncharged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.slices:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.slices, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.spintype:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.spintype, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.strain:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.strain, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.stress:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.stress, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.structure:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.structure, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.tot_magneticmoment:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.tot_magneticmoment, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.total_electrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.total_electrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.total_electrons_uncharged:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.total_electrons_uncharged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.trajectory:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.trajectory, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.truncation_radius:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.truncation_radius, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.truncation_type:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.truncation_type, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.valence_electrons:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.valence_electrons, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.valence_electrons_uncharged:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.valence_electrons_uncharged, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutfile.xc_func:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutfile.xc_func, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutputs.bandProjections:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutputs.bandProjections, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutputs.calc_dir:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutputs.calc_dir, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutputs.eigenvals:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutputs.eigenvals, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutputs.orb_label_list:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutputs.orb_label_list, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutputs.outfile:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutputs.outfile, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutputs.paths:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutputs.paths, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/jdftx/outputs.py:docstring of pymatgen.io.jdftx.outputs.JDFTXOutputs.store_vars:1: WARNING: duplicate object description of pymatgen.io.jdftx.outputs.JDFTXOutputs.store_vars, other instance in pymatgen.io.jdftx, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData.as_lammpsdata:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData.as_lammpsdata:8: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData.disassemble:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData.disassemble:7: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData.get_str:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData.get_str:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.ForceField:42: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.ForceField:57: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.LammpsData.set_charge_atom_type:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.Topology:25: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.Topology:29: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/generators.py:docstring of pymatgen.io.lammps.generators.BaseLammpsGenerator.calc_type:1: WARNING: duplicate object description of pymatgen.io.lammps.generators.BaseLammpsGenerator.calc_type, other instance in pymatgen.io.lammps, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/generators.py:docstring of pymatgen.io.lammps.generators.BaseLammpsGenerator.keep_stages:1: WARNING: duplicate object description of pymatgen.io.lammps.generators.BaseLammpsGenerator.keep_stages, other instance in pymatgen.io.lammps, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/generators.py:docstring of pymatgen.io.lammps.generators.BaseLammpsGenerator.settings:1: WARNING: duplicate object description of pymatgen.io.lammps.generators.BaseLammpsGenerator.settings, other instance in pymatgen.io.lammps, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/generators.py:docstring of pymatgen.io.lammps.generators.BaseLammpsGenerator.template:1: WARNING: duplicate object description of pymatgen.io.lammps.generators.BaseLammpsGenerator.template, other instance in pymatgen.io.lammps, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile:9: WARNING: Inline literal start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile:17: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:7: WARNING: Inline literal start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:12: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:14: WARNING: Inline literal start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:19: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:21: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_commands:23: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:6: WARNING: Inline literal start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:11: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:19: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:21: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:22: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:23: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:28: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:25: WARNING: Inline literal start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile.add_stage:35: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData:6: ERROR: Unknown target name: "a-za-z0-9". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/lobsterenv.py:docstring of pymatgen.io.lobster.lobsterenv.LobsterNeighbors:24: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/lobsterenv.py:docstring of pymatgen.io.lobster.lobsterenv.LobsterNeighbors.get_info_cohps_to_neighbors:21: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Bandoverlaps:22: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Bandoverlaps:26: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Bandoverlaps:27: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Cohpcar:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Cohpcar:10: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Cohpcar:37: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Cohpcar:42: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Doscar.completedos:1: WARNING: duplicate object description of pymatgen.io.lobster.outputs.Doscar.completedos, other instance in pymatgen.io.lobster, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Doscar.energies:1: WARNING: duplicate object description of pymatgen.io.lobster.outputs.Doscar.energies, other instance in pymatgen.io.lobster, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Doscar.is_spin_polarized:1: WARNING: duplicate object description of pymatgen.io.lobster.outputs.Doscar.is_spin_polarized, other instance in pymatgen.io.lobster, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Doscar.itdensities:1: WARNING: duplicate object description of pymatgen.io.lobster.outputs.Doscar.itdensities, other instance in pymatgen.io.lobster, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Doscar.pdos:1: WARNING: duplicate object description of pymatgen.io.lobster.outputs.Doscar.pdos, other instance in pymatgen.io.lobster, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Doscar.tdensities:1: WARNING: duplicate object description of pymatgen.io.lobster.outputs.Doscar.tdensities, other instance in pymatgen.io.lobster, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Doscar.tdos:1: WARNING: duplicate object description of pymatgen.io.lobster.outputs.Doscar.tdos, other instance in pymatgen.io.lobster, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Grosspop:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Grosspop:10: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Grosspop:12: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Icohplist:31: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.NciCobiList:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.NciCobiList:18: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/pwmat/outputs.py:docstring of pymatgen.io.pwmat.outputs.DosSpin.get_partial_dos:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:64: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:66: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:67: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:74: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:79: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:81: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:85: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:86: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:97: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:99: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:101: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:102: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:117: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:137: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput.pcm_nonels_template:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput.pcm_nonels_template:14: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/outputs.py:docstring of pymatgen.io.qchem.outputs.QCOutput.multiple_outputs_from_file:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/outputs.py:docstring of pymatgen.io.qchem.outputs.QCOutput.multiple_outputs_from_file:6: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/outputs.py:docstring of pymatgen.io.qchem.outputs.check_for_structure_changes:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/outputs.py:docstring of pymatgen.io.qchem.outputs.check_for_structure_changes:4: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/outputs.py:docstring of pymatgen.io.qchem.outputs.check_for_structure_changes:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/outputs.py:docstring of pymatgen.io.qchem.outputs.check_for_structure_changes:8: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/outputs.py:docstring of pymatgen.io.qchem.outputs.check_for_structure_changes:13: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:68: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:88: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:95: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:97: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:102: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:103: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:110: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:117: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:119: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:124: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:125: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:127: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:133: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:135: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:140: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:141: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:142: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:68: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:88: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:95: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:97: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:102: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:103: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:110: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:117: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:119: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:124: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:125: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:127: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:133: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:135: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:140: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:141: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:142: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:81: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:101: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:108: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:110: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:115: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:116: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:123: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:130: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:132: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:137: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:138: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:140: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:146: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:148: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:153: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:154: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:155: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.PESScanSet:88: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:87: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:107: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:108: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:119: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:126: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:128: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:133: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:134: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:141: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:148: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:150: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:155: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:156: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:158: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:164: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:166: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:171: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:172: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:173: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:183: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:186: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:188: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:190: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:191: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:76: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:90: WARNING: Enumerated list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:97: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:99: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:104: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:105: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:112: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:119: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:121: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:126: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:127: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:129: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:135: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:137: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:142: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:143: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:144: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:152: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:155: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:157: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:159: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:160: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.TransitionStateSet:77: WARNING: Inline emphasis start-string without end-string. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.Poscar.lattice_velocities:1: WARNING: duplicate object description of pymatgen.io.vasp.inputs.Poscar.lattice_velocities, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.Poscar.predictor_corrector:1: WARNING: duplicate object description of pymatgen.io.vasp.inputs.Poscar.predictor_corrector, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.Poscar.predictor_corrector_preamble:1: WARNING: duplicate object description of pymatgen.io.vasp.inputs.Poscar.predictor_corrector_preamble, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.Poscar.selective_dynamics:1: WARNING: duplicate object description of pymatgen.io.vasp.inputs.Poscar.selective_dynamics, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.Poscar.velocities:1: WARNING: duplicate object description of pymatgen.io.vasp.inputs.Poscar.velocities, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.get_electron_configuration:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.identify_potcar:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.identify_potcar_hash_based:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.is_valid:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.is_valid:7: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.is_valid:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.is_valid:11: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.is_valid:12: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.is_valid:21: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.PotcarSingle.is_valid:27: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/inputs.py:docstring of pymatgen.io.vasp.inputs.VaspInput.write_input:18: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Dynmat:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Dynmat:8: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar.read_fermi_contact_shift:5: CRITICAL: Unexpected section title. Fermi contact (isotropic) hyperfine coupling parameter (MHz) ------------------------------------------------------------- [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar.read_fermi_contact_shift:7: CRITICAL: Unexpected section title. ion A_pw A_1PS A_1AE A_1c A_tot ------------------------------------------------------------- [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar.read_fermi_contact_shift:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar.read_freq_dielectric:6: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ.me_imag:1: WARNING: duplicate object description of pymatgen.io.vasp.outputs.WSWQ.me_imag, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ.me_real:1: WARNING: duplicate object description of pymatgen.io.vasp.outputs.WSWQ.me_real, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ.nbands:1: WARNING: duplicate object description of pymatgen.io.vasp.outputs.WSWQ.nbands, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ.nkpoints:1: WARNING: duplicate object description of pymatgen.io.vasp.outputs.WSWQ.nkpoints, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ.nspin:1: WARNING: duplicate object description of pymatgen.io.vasp.outputs.WSWQ.nspin, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Waveder:21: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Waveder.cder_imag:1: WARNING: duplicate object description of pymatgen.io.vasp.outputs.Waveder.cder_imag, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Waveder.cder_real:1: WARNING: duplicate object description of pymatgen.io.vasp.outputs.Waveder.cder_real, other instance in pymatgen.io.vasp, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:12: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:17: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:21: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:30: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] WARNING: Failed to get a method signature for pymatgen.phonon.dos.PhononDos.ind_zero_freq: is not a callable object /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/ir_spectra.py:docstring of pymatgen.phonon.ir_spectra.IRDielectricTensor:1: ERROR: Unknown interpreted text role "cite". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/ir_spectra.py:docstring of pymatgen.phonon.ir_spectra.IRDielectricTensor:5: ERROR: Unknown interpreted text role "cite". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/plotter.py:docstring of pymatgen.phonon.plotter.PhononDosPlotter:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/thermal_displacements.py:docstring of pymatgen.phonon.thermal_displacements.ThermalDisplacementMatrices.compute_directionality_quality_criterion:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/thermal_displacements.py:docstring of pymatgen.phonon.thermal_displacements.ThermalDisplacementMatrices.to_structure_with_site_properties_Ucif:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/thermal_displacements.py:docstring of pymatgen.phonon.thermal_displacements.ThermalDisplacementMatrices.to_structure_with_site_properties_Ucif:6: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/gruneisen.py:docstring of pymatgen.phonon.gruneisen.GruneisenParameter.average_gruneisen:1: ERROR: Unknown target name: "materialia". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.PointGroupAnalyzer.symmetrize_molecule:16: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.PointGroupAnalyzer.symmetrize_molecule:17: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.SpacegroupAnalyzer.get_symmetry_dataset:10: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.SpacegroupAnalyzer.get_symmetry_dataset:15: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.iterative_symmetrize:22: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.iterative_symmetrize:23: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/groups.py:docstring of pymatgen.symmetry.groups.PointGroup.symmetry_ops:1: WARNING: duplicate object description of pymatgen.symmetry.groups.PointGroup.symmetry_ops, other instance in pymatgen.symmetry, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/kpath.py:docstring of pymatgen.symmetry.kpath.KPathLatimerMunro:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/kpath.py:docstring of pymatgen.symmetry.kpath.KPathLatimerMunro:16: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/maggroups.py:docstring of pymatgen.symmetry.maggroups.MagneticSpaceGroup:53: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/symmetry/maggroups.py:docstring of pymatgen.symmetry.maggroups.MagneticSpaceGroup:54: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/transformations/advanced_transformations.py:docstring of pymatgen.transformations.advanced_transformations.GrainBoundaryTransformation:34: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/transformations/advanced_transformations.py:docstring of pymatgen.transformations.advanced_transformations.GrainBoundaryTransformation:35: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/transformations/advanced_transformations.py:docstring of pymatgen.transformations.advanced_transformations.SQSTransformation:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/transformations/advanced_transformations.py:docstring of pymatgen.transformations.advanced_transformations.SQSTransformation:7: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/graph_hashing.py:docstring of pymatgen.util.graph_hashing.weisfeiler_lehman_graph_hash:45: WARNING: Explicit markup ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/graph_hashing.py:docstring of pymatgen.util.graph_hashing.weisfeiler_lehman_subgraph_hashes:68: WARNING: Duplicate explicit target name: "1". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/graph_hashing.py:docstring of pymatgen.util.graph_hashing.weisfeiler_lehman_subgraph_hashes:69: WARNING: Explicit markup ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/plotting.py:docstring of pymatgen.util.plotting.van_arkel_triangle:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/plotting.py:docstring of pymatgen.util.plotting.van_arkel_triangle:7: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/provenance.py:docstring of pymatgen.util.provenance.HistoryNode.description:1: WARNING: duplicate object description of pymatgen.util.provenance.HistoryNode.description, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/provenance.py:docstring of pymatgen.util.provenance.HistoryNode.name:1: WARNING: duplicate object description of pymatgen.util.provenance.HistoryNode.name, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/provenance.py:docstring of pymatgen.util.provenance.HistoryNode.url:1: WARNING: duplicate object description of pymatgen.util.provenance.HistoryNode.url, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/string.py:docstring of pymatgen.util.string.str_delimited:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.util.rst:21: ERROR: Unknown target name: "int". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.util.rst:21: ERROR: Unknown target name: "float". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/graph_hashing.py:docstring of pymatgen.util.graph_hashing.weisfeiler_lehman_graph_hash:7: ERROR: Duplicate target name, cannot be used as a unique reference: "1". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/graph_hashing.py:docstring of pymatgen.util.graph_hashing.weisfeiler_lehman_subgraph_hashes:23: ERROR: Duplicate target name, cannot be used as a unique reference: "1". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/graph_hashing.py:docstring of pymatgen.util.graph_hashing.weisfeiler_lehman_subgraph_hashes:23: ERROR: Unknown target name: "2". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/graph_hashing.py:docstring of pymatgen.util.graph_hashing.weisfeiler_lehman_subgraph_hashes:28: ERROR: Duplicate target name, cannot be used as a unique reference: "1". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/testing.py:docstring of pymatgen.util.testing:1: WARNING: duplicate object description of pymatgen.util.testing, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/testing.py:docstring of pymatgen.util.testing.PymatgenTest:1: WARNING: duplicate object description of pymatgen.util.testing.PymatgenTest, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/testing.py:docstring of pymatgen.util.testing.PymatgenTest.TEST_STRUCTURES:1: WARNING: duplicate object description of pymatgen.util.testing.PymatgenTest.TEST_STRUCTURES, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/testing.py:docstring of pymatgen.util.testing.PymatgenTest.assert_msonable:1: WARNING: duplicate object description of pymatgen.util.testing.PymatgenTest.assert_msonable, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/testing.py:docstring of pymatgen.util.testing.PymatgenTest.assert_str_content_equal:1: WARNING: duplicate object description of pymatgen.util.testing.PymatgenTest.assert_str_content_equal, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/testing.py:docstring of pymatgen.util.testing.PymatgenTest.get_structure:1: WARNING: duplicate object description of pymatgen.util.testing.PymatgenTest.get_structure, other instance in pymatgen.util, use :no-index: for one of them /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/util/testing.py:docstring of pymatgen.util.testing.PymatgenTest.serialize_with_pickle:1: WARNING: duplicate object description of pymatgen.util.testing.PymatgenTest.serialize_with_pickle, other instance in pymatgen.util, use :no-index: for one of them looking for now-outdated files... none found pickling environment... done checking consistency... /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/modules.rst: WARNING: document isn't included in any toctree /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.util.testing.rst: WARNING: document isn't included in any toctree /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.alchemy.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.alchemy /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.analysis.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.analysis /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.apps.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.apps /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.cli.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.cli /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.command_line.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.command_line /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.core.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.core /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.electronic_structure.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.electronic_structure /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.entries.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.entries /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.ext.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.ext /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.io /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.optimization.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.optimization /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.phonon.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.phonon /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.symmetry.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.symmetry /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.transformations.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.transformations /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.util.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.util /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.vis.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.vis done preparing documents... WARNING: unsupported theme option 'display_version' given done copying assets... copying static files... Writing evaluated template result to /build/reproducible-path/pymatgen-2025.2.18+dfsg1/build/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/pymatgen-2025.2.18+dfsg1/build/html/_static/documentation_options.js Writing evaluated template result to /build/reproducible-path/pymatgen-2025.2.18+dfsg1/build/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/pymatgen-2025.2.18+dfsg1/build/html/_static/js/versions.js copying static files: done copying extra files... copying extra files: done copying assets: done writing output... [ 2%] index writing output... [ 4%] modules writing output... [ 6%] pymatgen writing output... [ 8%] pymatgen.alchemy writing output... [ 10%] pymatgen.analysis writing output... [ 12%] pymatgen.analysis.chemenv writing output... [ 14%] pymatgen.analysis.chemenv.connectivity writing output... [ 16%] pymatgen.analysis.chemenv.coordination_environments writing output... [ 18%] pymatgen.analysis.chemenv.coordination_environments.coordination_geometries_files writing output... [ 20%] pymatgen.analysis.chemenv.utils writing output... [ 22%] pymatgen.analysis.diffraction writing output... [ 24%] pymatgen.analysis.elasticity writing output... [ 26%] pymatgen.analysis.ferroelectricity writing output... [ 28%] pymatgen.analysis.gb writing output... [ 30%] pymatgen.analysis.interfaces writing output... [ 32%] pymatgen.analysis.magnetism writing output... [ 34%] pymatgen.analysis.solar writing output... [ 36%] pymatgen.analysis.structure_prediction writing output... [ 38%] pymatgen.analysis.topological writing output... [ 40%] pymatgen.analysis.xas writing output... [ 42%] pymatgen.apps writing output... [ 44%] pymatgen.apps.battery writing output... [ 46%] pymatgen.apps.borg writing output... [ 48%] pymatgen.cli writing output... [ 50%] pymatgen.command_line writing output... [ 52%] pymatgen.core writing output... [ 54%] pymatgen.electronic_structure writing output... [ 56%] pymatgen.entries writing output... [ 58%] pymatgen.ext writing output... [ 60%] pymatgen.io writing output... [ 62%] pymatgen.io.abinit writing output... [ 64%] pymatgen.io.aims writing output... [ 66%] pymatgen.io.aims.sets writing output... [ 68%] pymatgen.io.cp2k writing output... [ 70%] pymatgen.io.exciting writing output... [ 72%] pymatgen.io.feff writing output... [ 74%] pymatgen.io.jdftx writing output... [ 76%] pymatgen.io.lammps writing output... [ 78%] pymatgen.io.lobster writing output... [ 80%] pymatgen.io.pwmat writing output... [ 82%] pymatgen.io.qchem writing output... [ 84%] pymatgen.io.vasp writing output... [ 86%] pymatgen.io.xtb writing output... [ 88%] pymatgen.optimization writing output... [ 90%] pymatgen.phonon writing output... [ 92%] pymatgen.symmetry writing output... [ 94%] pymatgen.transformations writing output... [ 96%] pymatgen.util writing output... [ 98%] pymatgen.util.testing writing output... [100%] pymatgen.vis /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos:1: WARNING: more than one target found for cross-reference 'Orbital': pymatgen.electronic_structure.core.Orbital, pymatgen.io.vasp.inputs.Orbital [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos:16: WARNING: more than one target found for cross-reference 'Orbital': pymatgen.electronic_structure.core.Orbital, pymatgen.io.vasp.inputs.Orbital [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.CompleteDos.get_site_orbital_dos:1: WARNING: more than one target found for cross-reference 'Orbital': pymatgen.electronic_structure.core.Orbital, pymatgen.io.vasp.inputs.Orbital [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/dos.py:docstring of pymatgen.electronic_structure.dos.LobsterCompleteDos:1: WARNING: more than one target found for cross-reference 'Orbital': pymatgen.electronic_structure.core.Orbital, pymatgen.io.vasp.inputs.Orbital [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.cp2k.rst:29: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.cp2k.rst:29: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.cp2k.rst:29: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.cp2k.rst:29: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.cp2k.rst:29: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.cp2k.rst:29: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.cp2k.rst:29: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.lobster.rst:29: WARNING: more than one target found for cross-reference 'Orbital': pymatgen.electronic_structure.core.Orbital, pymatgen.io.vasp.inputs.Orbital [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.KpointOptProps:1: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.KpointOptProps.kpoints:1: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Vasprun:129: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Vasprun.get_band_structure:1: WARNING: more than one target found for cross-reference 'BandStructure': pymatgen.electronic_structure.bandstructure.BandStructure, pymatgen.io.cp2k.inputs.BandStructure [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.vasp.rst:45: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.vasp.rst:45: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/docs/apidoc/pymatgen.io.vasp.rst:45: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.VaspInputSet.prev_kpoints:1: WARNING: more than one target found for cross-reference 'Kpoints': pymatgen.io.cp2k.inputs.Kpoints, pymatgen.io.vasp.inputs.Kpoints [ref.python] generating indices... genindex py-modindex done writing additional pages... search done dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 941 warnings. The HTML pages are in build/html. make[1]: Leaving directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' debian/rules:115: update target 'override_dh_auto_test' due to: target does not exist SKIP_TESTS=""; \ list_initialised=0; \ for t in test_matproj TestGenKpt TestHighSymmetryPoint test_from_multi_jobs_file test_from_string test_read_molecule test_read_nbo test_read_negative test_read_plots test_read_write_nbo7 test_all test_custom_smd_write test_sets test_CifWriter test_read_write test_init test_get_site_symmetries BSDOSPlotterTest test_cdft_dc_parsing test_get_structure_by_id test_babel_PC_with_RO_depth_0_vs_depth_10 test_fit; do \ if [ ${list_initialised} = 0 ]; then \ SKIP_TESTS=$t; \ list_initialised=1; \ else \ SKIP_TESTS="${SKIP_TESTS} or $t"; \ fi; \ done; \ if [ "x${SKIP_TESTS}" != "x" ]; then \ SKIP_TESTS="not ( ${SKIP_TESTS} )"; \ fi; \ echo "skipping tests: ${SKIP_TESTS}"; \ for py in `py3versions -sv`; do \ pybuilddir=`pybuild --pyver $py --print build_dir | awk '{print $3}'`; \ testdir=/build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python$py; \ cp -a $pybuilddir $testdir; \ cp -a tests $testdir; \ PMG_TEST_FILES_DIR=/usr/share/doc/pymatgen-test-files/examples/files \ PYTHONPATH=$testdir PATH=$pybuilddir/../scripts:$PATH \ python$py -m pytest -v --import-mode=prepend --color=no -k "${SKIP_TESTS}" $testdir; \ done skipping tests: not ( test_matproj or TestGenKpt or TestHighSymmetryPoint or test_from_multi_jobs_file or test_from_string or test_read_molecule or test_read_nbo or test_read_negative or test_read_plots or test_read_write_nbo7 or test_all or test_custom_smd_write or test_sets or test_CifWriter or test_read_write or test_init or test_get_site_symmetries or BSDOSPlotterTest or test_cdft_dc_parsing or test_get_structure_by_id or test_babel_PC_with_RO_depth_0_vs_depth_10 or test_fit ) ============================= test session starts ============================== platform linux -- Python 3.13.3, pytest-8.3.5, pluggy-1.5.0 rootdir: /build/reproducible-path/pymatgen-2025.2.18+dfsg1 configfile: pyproject.toml plugins: typeguard-4.4.2 collected 3114 items / 291 deselected / 8 skipped / 2823 selected .pybuild/test_python3.13/tests/alchemy/test_filters.py ....... 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[100%] =============================== warnings summary =============================== .pybuild/test_python3.13/tests/analysis/chemenv/utils/test_func_utils.py::TestFuncUtils::test_csm_infinite_ratio_function /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/chemenv/utils/math_utils.py:333: RuntimeWarning: divide by zero encountered in scalar divide return np.where(np.isclose(xx, 0.0), aa * float("inf"), aa * np.power(xx - 1.0, 2) / xx) .pybuild/test_python3.13/tests/analysis/chemenv/utils/test_func_utils.py::TestFuncUtils::test_csm_infinite_ratio_function /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/chemenv/utils/math_utils.py:351: RuntimeWarning: divide by zero encountered in scalar divide aa * np.power(xx - 1.0, 2) / xx**2.0, .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 96974 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 8 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 16 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 8 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 468 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:364: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 48487 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 2 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 4 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 8 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 4 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 234 warnings /usr/lib/python3/dist-packages/numpy/_core/_methods.py:64: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 5280 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 114 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 3 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 360 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 1776 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 15 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 215 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:287: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 14329 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 363 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 31 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 1272 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 7104 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 10 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 63 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 10977 warnings /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2447: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1788 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 36 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 2 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 159 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 888 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 6 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1369 warnings /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2448: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1793 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 51 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 5 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 159 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 888 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 9 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1374 warnings /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2449: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1910 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 108 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 17 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 159 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 888 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 16 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 18 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1629 warnings /usr/lib/python3/dist-packages/numpy/_core/_methods.py:73: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 52 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 40 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 162 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:196: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 5 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 296 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/elastic.py:92: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 5 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 81 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1 warning /usr/lib/python3/dist-packages/numpy/_core/_methods.py:52: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1174 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 54 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:110: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py::TestElasticTensor::test_from_independent_strains /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py:228: UserWarning: Extra strain states in strain-stress pairs are neglected in independent strain fitting .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 12 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/elastic.py:482: UserWarning: Tensor is not symmetric, information may be lost in Voigt conversion. .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 30 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 18 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 4 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 4 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:761: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 28 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 1 warning .pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:762: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 99 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 57 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 12 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 12 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 9 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 255 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:774: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 58 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 22 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 5 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 6 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 168 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:816: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 28 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 1 warning .pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:815: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 58 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 22 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 5 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 6 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 168 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:819: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 28 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 1 warning .pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:818: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 56 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 8 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 2 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 4 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 168 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:843: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 124 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 60 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 13 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 6 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 9 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 338 warnings /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2451: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 33 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 19 warnings .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 4 warnings .pybuild/test_python3.13/tests/analysis/test_nmr.py: 4 warnings .pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 85 warnings /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:852: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 36 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 8 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:629: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:633: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:634: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:635: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 3456 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 768 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:636: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:637: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 3474 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 2775 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:327: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 36 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 8 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:665: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 18 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 4 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:666: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 11 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/elastic.py:584: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 28 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/elastic.py:742: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 2 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 81 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 296 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 1 warning /usr/lib/python3/dist-packages/numpy/_core/fromnumeric.py:1895: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:63: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 12 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:253: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/stress.py:70: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/stress.py:77: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/stress.py:89: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/stress.py:101: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 81 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 296 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:235: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 81 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 296 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:237: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 78 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 82 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:1021: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 78 warnings .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings .pybuild/test_python3.13/tests/core/test_tensors.py: 82 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:992: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_graphs.py: 17 warnings .pybuild/test_python3.13/tests/command_line/test_critic2_caller.py: 5 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/command_line/critic2_caller.py:490: DeprecationWarning: Parsing critic2 standard output is deprecated and will not be maintained, please use the native JSON output in the future. .pybuild/test_python3.13/tests/analysis/test_interface_reactions.py: 24 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/analysis/test_interface_reactions.py:368: DeprecationWarning: Arrays of 2-dimensional vectors are deprecated. Use arrays of 3-dimensional vectors instead. (deprecated in NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_notations /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/nmr.py:91: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_notations /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/nmr.py:104: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_notations /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/nmr.py:112: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_principal_axis_system .pybuild/test_python3.13/tests/analysis/test_nmr.py::TestElectricFieldGradient::test_principal_axis_system /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:851: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 120 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:385: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 590 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:387: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 120 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:388: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 60 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:396: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 1040 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:393: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 12390 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:568: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 2520 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:571: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 1260 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:581: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 21840 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:578: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 826 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:437: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 168 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:439: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 84 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:449: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 1456 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:446: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 88 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:126: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 88 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:145: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 84 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:243: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 98 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:244: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel /usr/lib/python3.13/multiprocessing/popen_fork.py:67: DeprecationWarning: This process (pid=151) is multi-threaded, use of fork() may lead to deadlocks in the child. .pybuild/test_python3.13/tests/analysis/test_quasirrho.py::TestQuasiRRHO::test_extreme_temperature_and_pressure /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/quasirrho.py:243: RuntimeWarning: overflow encountered in exp .pybuild/test_python3.13/tests/analysis/test_quasirrho.py::TestQuasiRRHO::test_extreme_temperature_and_pressure /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/quasirrho.py:244: RuntimeWarning: overflow encountered in exp .pybuild/test_python3.13/tests/core/test_structure.py::TestStructure::test_rotate_sites /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/structure.py:4699: RuntimeWarning: invalid value encountered in divide .pybuild/test_python3.13/tests/core/test_tensors.py: 18 warnings /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:207: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee /usr/lib/python3/dist-packages/numpy/_core/_methods.py:44: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_round /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:376: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_round /usr/lib/python3/dist-packages/numpy/_core/fromnumeric.py:48: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensorCollection::test_list_based_functions /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:409: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_get_scaled /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:1003: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_properties .pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_properties /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:524: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_refine_rotation /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:556: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) .pybuild/test_python3.13/tests/electronic_structure/test_bandstructure.py::TestLobsterBandStructureSymmLine::test_proj_bandstructure_plot /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/electronic_structure/plotter.py:1119: RuntimeWarning: More than 20 figures have been opened. Figures created through the pyplot interface (`matplotlib.pyplot.figure`) are retained until explicitly closed and may consume too much memory. (To control this warning, see the rcParam `figure.max_open_warning`). Consider using `matplotlib.pyplot.close()`. .pybuild/test_python3.13/tests/electronic_structure/test_dos.py::TestFermiDos::test_doping_fermi /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/electronic_structure/dos.py:527: RuntimeWarning: divide by zero encountered in divide .pybuild/test_python3.13/tests/entries/test_compatibility.py::TestMaterialsProjectCompatibility::test_parallel_process_entries .pybuild/test_python3.13/tests/entries/test_compatibility.py::TestMaterialsProjectCompatibility::test_parallel_process_entries .pybuild/test_python3.13/tests/entries/test_compatibility.py::TestMaterialsProjectCompatibility::test_parallel_process_entries /usr/lib/python3/dist-packages/joblib/externals/loky/backend/fork_exec.py:38: DeprecationWarning: This process (pid=151) is multi-threaded, use of fork() may lead to deadlocks in the child. .pybuild/test_python3.13/tests/io/lammps/test_data.py::TestLammpsData::test_get_str .pybuild/test_python3.13/tests/io/lammps/test_data.py::TestLammpsData::test_write_file .pybuild/test_python3.13/tests/io/lammps/test_data.py::TestLammpsData::test_write_file .pybuild/test_python3.13/tests/io/lammps/test_data.py::TestCombinedData::test_as_lammpsdata .pybuild/test_python3.13/tests/io/lammps/test_data.py::TestCombinedData::test_get_str /usr/lib/python3/dist-packages/numpy/_core/fromnumeric.py:57: FutureWarning: 'DataFrame.swapaxes' is deprecated and will be removed in a future version. Please use 'DataFrame.transpose' instead. .pybuild/test_python3.13/tests/io/test_cif.py::TestCifIO::test_cif_writer_write_file /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/io/cif.py:1767: FutureWarning: We strongly discourage using implicit binary/text `mode`, and this would not be allowed after 2025-06-01. I.e. you should pass t/b in `mode`. .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_dfpt_ionic /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:366: UnconvergedVASPWarning: /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.dfpt.ionic.xml.gz is an unconverged VASP run. Electronic convergence reached: True. Ionic convergence reached: False. .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_dfpt_unconverged /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:373: UnconvergedVASPWarning: /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.dfpt.unconverged.xml.gz is an unconverged VASP run. Electronic convergence reached: False. Ionic convergence reached: True. .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:159: UnconvergedVASPWarning: /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.hse06.xml.gz is an unconverged VASP run. Electronic convergence reached: False. Ionic convergence reached: True. .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:165: UnconvergedVASPWarning: /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.dfpt.ionic.xml.gz is an unconverged VASP run. Electronic convergence reached: True. Ionic convergence reached: False. .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:238: RuntimeWarning: invalid value encountered in divide .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:243: RuntimeWarning: invalid value encountered in divide .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:248: RuntimeWarning: invalid value encountered in divide .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:256: RuntimeWarning: invalid value encountered in divide .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestWavecar::test_standard /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/io/vasp/outputs.py:5008: RuntimeWarning: invalid value encountered in cast .pybuild/test_python3.13/tests/phonon/test_plotter.py::TestPhononBSPlotter::test_proj_plot /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/phonon/plotter.py:514: RuntimeWarning: More than 20 figures have been opened. Figures created through the pyplot interface (`matplotlib.pyplot.figure`) are retained until explicitly closed and may consume too much memory. (To control this warning, see the rcParam `figure.max_open_warning`). Consider using `matplotlib.pyplot.close()`. -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html ============================= slowest 30 durations ============================= 69.26s call .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py::TestCubicSupercellTransformation::test_apply_transformation_orthorhombic_supercell 46.20s call .pybuild/test_python3.13/tests/analysis/test_fragmenter.py::TestFragmentMolecule::test_pc_then_ec_depth_10 40.57s call .pybuild/test_python3.13/tests/electronic_structure/test_plotter.py::TestBSPlotterProjected::test_methods 29.54s call .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py::TestElasticTensorExpansion::test_get_yield_stress 26.23s call .pybuild/test_python3.13/tests/symmetry/test_kpath_lm.py::TestKPathLatimerMunro::test_kpath_generation 25.31s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_average_gruneisen 25.28s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_plot 24.75s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_debye_temp_phonopy 20.62s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlab::test_symmetrization 20.06s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_as_from_dict 19.93s call .pybuild/test_python3.13/tests/io/vasp/test_optics.py::TestVasprun::test_optics 18.89s call .pybuild/test_python3.13/tests/analysis/test_structure_analyzer.py::TestMiscFunction::test_average_coordination_number 18.67s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_thermal_conductivity_slack 17.73s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlabGenerator::test_non_stoichiometric_symmetrized_slab 17.48s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_gruneisen 17.43s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_frequencies 17.39s call .pybuild/test_python3.13/tests/core/test_surface.py::TestMillerIndexFinder::test_generate_all_slabs 17.37s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_acoustic_debye_temp 17.05s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_tdos 16.68s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_phdos 16.65s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_multi 16.34s setup .pybuild/test_python3.13/tests/io/lammps/test_data.py::TestCombinedData::test_as_lammpsdata 15.96s call .pybuild/test_python3.13/tests/io/test_phonopy.py::TestGruneisen::test_gruneisen_parameter 15.81s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_from_bulk_and_miller 15.48s call .pybuild/test_python3.13/tests/entries/test_entry_tools.py::TestEntrySet::test_ground_states 15.27s call .pybuild/test_python3.13/tests/io/test_packmol.py::TestPackmolSet::test_chdir_behavior 14.52s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_generate_substitution_structures 13.95s call .pybuild/test_python3.13/tests/symmetry/test_kpath_sc.py::TestBandStructureSC::test_kpath_generation 13.48s call .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype 13.27s call .pybuild/test_python3.13/tests/cli/test_pmg_plot.py::test_plot_chgint =========================== short test summary info ============================ SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap2.py:27: No boltztrap2 SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_cod.py:25: www.crystallography.net is down SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_matproj.py:44: MP API is down SKIPPED [1] .pybuild/test_python3.13/tests/io/test_openff.py:25: could not import 'openff.toolkit': No module named 'openff' SKIPPED [1] .pybuild/test_python3.13/tests/io/test_shengbte.py:10: could not import 'f90nml': No module named 'f90nml' SKIPPED [1] .pybuild/test_python3.13/tests/io/test_zeopp.py:20: zeo not installed SKIPPED [1] .pybuild/test_python3.13/tests/performance/test_import_time.py:32: ref time only comparable in CI runner SKIPPED [1] .pybuild/test_python3.13/tests/symmetry/test_kpath_hin.py:11: seekpath not installed SKIPPED [1] .pybuild/test_python3.13/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py:174: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py:169: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/magnetism/test_analyzer.py:264: enumlib not present SKIPPED [1] 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This is also the case in a PR. SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1906: chgnet is not built against NumPy 2.0 SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2015: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2026: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2035: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2668: could not import 'tblite': No module named 'tblite' SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2676: Pytorch and TBLite clash. https://github.com/materialsproject/pymatgen/pull/3060 SKIPPED [1] .pybuild/test_python3.13/tests/core/test_surface.py:700: This test relies on neighbor orders and is hard coded. Disable temporarily SKIPPED [1] .pybuild/test_python3.13/tests/core/test_xcfunc.py:56: TODO: SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:254: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:221: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:241: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:169: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:199: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:232: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:101: No FDINT SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:123: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:203: No x_trans. 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SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_help.py:22: www.vasp.at is down SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_help.py:31: www.vasp.at is down SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_help.py:37: www.vasp.at is down SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_inputs.py:1717: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/symmetry/test_kpaths.py:21: No seek path present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:97: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:158: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:188: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:207: enum_lib not present. 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SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:540: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:549: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:607: mcsqs not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:617: mcsqs not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:638: mcsqs not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:670: icet not installed. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:656: icet not installed. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:681: icet not installed. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:874: hiphive not present SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_site_transformations.py:214: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:238: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:255: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:273: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:279: enum_lib not present. = 2678 passed, 153 skipped, 291 deselected, 296907 warnings in 1659.51s (0:27:39) = ..tot conformations = 3 ..tot confs tested = 3 ..below energy threshold = 3 make[1]: Leaving directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild dh_prep -O--buildsystem=pybuild dh_auto_install -O--buildsystem=pybuild I: pybuild plugin_pyproject:178: Copying package built for python3.13 to destdir dh_installdocs -O--buildsystem=pybuild dh_installdocs: warning: Cannot auto-detect main package for python-pymatgen-doc. If the default is wrong, please use --doc-main-package dh_sphinxdoc -i -O--buildsystem=pybuild dh_installchangelogs -O--buildsystem=pybuild dh_installman -O--buildsystem=pybuild dh_python3 -O--buildsystem=pybuild I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/feff_plot_cross_section I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/feff_plot_dos I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/get_environment I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/pmg I: dh_python3 pydist:339: Ignoring complex environment marker: boltztrap2>=24.9.4; platform_system != "Windows" and extra == "optional" I: dh_python3 pydist:339: Ignoring complex environment marker: tblite[ase]>=0.3.0; (platform_system == "Linux" and python_version < "3.12") and extra == "tblite" debian/rules execute_after_dh_python3 make[1]: Entering directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' debian/rules:140: update target 'execute_after_dh_python3' due to: target does not exist dh_numpy3 Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57. make[1]: Leaving directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' dh_installsystemduser -O--buildsystem=pybuild dh_perl -O--buildsystem=pybuild dh_link -O--buildsystem=pybuild dh_strip_nondeterminism -O--buildsystem=pybuild dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild dh_dwz -a -O--buildsystem=pybuild dh_strip -a -O--buildsystem=pybuild dh_makeshlibs -a -O--buildsystem=pybuild dh_shlibdeps -a -O--buildsystem=pybuild dh_installdeb -O--buildsystem=pybuild dh_gencontrol -O--buildsystem=pybuild dpkg-gencontrol: warning: package python-pymatgen-doc: substitution variable ${sphinxdoc:Built-Using} unused, but is defined dh_md5sums -O--buildsystem=pybuild dh_builddeb -O--buildsystem=pybuild dpkg-deb: building package 'python3-pymatgen' in '../python3-pymatgen_2025.2.18+dfsg1-4_amd64.deb'. dpkg-deb: building package 'python-pymatgen-doc' in '../python-pymatgen-doc_2025.2.18+dfsg1-4_all.deb'. dpkg-deb: building package 'python3-pymatgen-dbgsym' in '../python3-pymatgen-dbgsym_2025.2.18+dfsg1-4_amd64.deb'. dpkg-genbuildinfo -O../pymatgen_2025.2.18+dfsg1-4_amd64.buildinfo dpkg-genchanges -sa -O../pymatgen_2025.2.18+dfsg1-4_amd64.changes dpkg-genchanges: info: including full source code in upload dpkg-source --after-build . dpkg-source: info: using options from pymatgen-2025.2.18+dfsg1/debian/source/options: --extend-diff-ignore=^[^/]*[.]egg-info/ dpkg-buildpackage: info: full upload (original source is included) -------------------------------------------------------------------------------- Build finished at 2025-05-01T13:15:34Z Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Changes Thu, 01 May 2025 13:15:35 +0000 | +------------------------------------------------------------------------------+ pymatgen_2025.2.18+dfsg1-4_amd64.changes: ----------------------------------------- Format: 1.8 Date: Thu, 27 Feb 2025 11:52:14 +0100 Source: pymatgen Binary: python-pymatgen-doc python3-pymatgen python3-pymatgen-dbgsym Architecture: source all amd64 Version: 2025.2.18+dfsg1-4 Distribution: unstable Urgency: medium Maintainer: Debichem Team Changed-By: Drew Parsons Description: python-pymatgen-doc - Python Materials Genomics for materials analysis (documentation) python3-pymatgen - Python Materials Genomics for materials analysis Changes: pymatgen (2025.2.18+dfsg1-4) unstable; urgency=medium . * debian/tests: use quotes with SKIP_TEST_LIST to enable multiword entries (needed for riscv64) Checksums-Sha1: da2907e0c61b869349766efead89aae862da522f 2295 pymatgen_2025.2.18+dfsg1-4.dsc 57f055559e446fa33793273f98b9ee4fa34030b5 9895876 pymatgen_2025.2.18+dfsg1.orig.tar.xz 5712f720b4269417cbdd75bae287b330d1e51f81 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+------------------------------------------------------------------------------+ | Buildinfo Thu, 01 May 2025 13:15:36 +0000 | +------------------------------------------------------------------------------+ Format: 1.0 Source: pymatgen Binary: python-pymatgen-doc python3-pymatgen python3-pymatgen-dbgsym Architecture: all amd64 source Version: 2025.2.18+dfsg1-4 Checksums-Md5: 0afbc2b092977210321d3ac5fba6cdcf 2295 pymatgen_2025.2.18+dfsg1-4.dsc ebd9b7c1d484b0db69ac7c8f03b5f207 1326392 python-pymatgen-doc_2025.2.18+dfsg1-4_all.deb a39f266bb449490564d05ee25234328a 1227640 python3-pymatgen-dbgsym_2025.2.18+dfsg1-4_amd64.deb 78a12d663c48fdd7edfd9d75a1b43c7f 2605164 python3-pymatgen_2025.2.18+dfsg1-4_amd64.deb Checksums-Sha1: da2907e0c61b869349766efead89aae862da522f 2295 pymatgen_2025.2.18+dfsg1-4.dsc b7cb49bf5dc0865c684704ae326a67958d45d5f1 1326392 python-pymatgen-doc_2025.2.18+dfsg1-4_all.deb aec74d2728018d941a3a27a2e9caa3e8f89473c4 1227640 python3-pymatgen-dbgsym_2025.2.18+dfsg1-4_amd64.deb 08adc8335443ddbd11f8747fd5dc2df73c1efe3f 2605164 python3-pymatgen_2025.2.18+dfsg1-4_amd64.deb Checksums-Sha256: c3089bdf509493156c8b56865ddcc47ede1ace50f331a9c6ad5ca6c3bda824be 2295 pymatgen_2025.2.18+dfsg1-4.dsc 22664a3a9f5adb0b6d5871e3d1522152b3ac0c8402f04689771755cab48d82f4 1326392 python-pymatgen-doc_2025.2.18+dfsg1-4_all.deb dd2dc84c043bb6d9d439c95bef04f89981b02280c395c834102da6026a9eaafe 1227640 python3-pymatgen-dbgsym_2025.2.18+dfsg1-4_amd64.deb f9206fcba5f556bb88581a16659e1c73e76f9551a5cf882df4cf772ff407b1f0 2605164 python3-pymatgen_2025.2.18+dfsg1-4_amd64.deb Build-Origin: Debian Build-Architecture: amd64 Build-Date: Thu, 01 May 2025 13:15:33 +0000 Build-Path: /build/reproducible-path/pymatgen-2025.2.18+dfsg1 Installed-Build-Depends: adduser (= 3.150), autoconf (= 2.72-3.1), automake (= 1:1.17-4), autopoint (= 0.23.1-2), autotools-dev (= 20240727.1), base-files (= 13.7), base-passwd (= 3.6.7), bash (= 5.2.37-2), binutils (= 2.44-3), binutils-common (= 2.44-3), binutils-x86-64-linux-gnu (= 2.44-3), blt (= 2.5.3+dfsg-8), bsdextrautils (= 2.41-4), bsdutils (= 1:2.41-4), build-essential (= 12.12), bzip2 (= 1.0.8-6), ca-certificates (= 20250419), coreutils (= 9.7-2), cpp (= 4:14.2.0-1), cpp-14 (= 14.2.0-19), cpp-14-x86-64-linux-gnu (= 14.2.0-19), cpp-x86-64-linux-gnu (= 4:14.2.0-1), cython3 (= 3.0.11+dfsg-2+b1), dash (= 0.5.12-12), debconf (= 1.5.91), debhelper (= 13.24.2), debianutils (= 5.22), dh-autoreconf (= 20), dh-python (= 6.20250414), dh-strip-nondeterminism (= 1.14.1-2), diffutils (= 1:3.10-4), docutils-common (= 0.21.2+dfsg-2), dpkg (= 1.22.18), dpkg-dev (= 1.22.18), dwz (= 0.15-1+b1), file (= 1:5.46-5), findutils (= 4.10.0-3), fontconfig (= 2.15.0-2.3), fontconfig-config (= 2.15.0-2.3), fonts-dejavu-core (= 2.37-8), fonts-dejavu-mono (= 2.37-8), fonts-font-awesome (= 5.0.10+really4.7.0~dfsg-4.1), fonts-glyphicons-halflings (= 1.009~3.4.1+dfsg-4), fonts-lato (= 2.015-1), fonts-lyx (= 2.4.3-1), fonts-mathjax (= 2.7.9+dfsg-1), g++ (= 4:14.2.0-1), g++-14 (= 14.2.0-19), g++-14-x86-64-linux-gnu (= 14.2.0-19), g++-x86-64-linux-gnu (= 4:14.2.0-1), gcc (= 4:14.2.0-1), gcc-14 (= 14.2.0-19), gcc-14-base (= 14.2.0-19), gcc-14-x86-64-linux-gnu (= 14.2.0-19), gcc-x86-64-linux-gnu (= 4:14.2.0-1), gettext (= 0.23.1-2), gettext-base (= 0.23.1-2), grep (= 3.11-4), groff-base (= 1.23.0-7), gzip (= 1.13-1), hostname (= 3.25), ibverbs-providers (= 56.1-1), init-system-helpers (= 1.68), intltool-debian (= 0.35.0+20060710.6), libacl1 (= 2.3.2-2+b1), libaec0 (= 1.1.3-1+b1), libamd-comgr2 (= 6.0+git20231212.4510c28+dfsg-3+b2), libamdhip64-5 (= 5.7.1-5.1), libarchive-zip-perl (= 1.68-1), libasan8 (= 14.2.0-19), libatomic1 (= 14.2.0-19), libattr1 (= 1:2.5.2-3), libaudit-common (= 1:4.0.2-2), libaudit1 (= 1:4.0.2-2+b2), libbinutils (= 2.44-3), libblas3 (= 3.12.1-2), libblkid1 (= 2.41-4), libboost-iostreams1.83.0 (= 1.83.0-4.2), libbrotli1 (= 1.1.0-2+b7), libbsd0 (= 0.12.2-2), libbz2-1.0 (= 1.0.8-6), libc-bin (= 2.41-7), libc-dev-bin (= 2.41-7), libc6 (= 2.41-7), libc6-dev (= 2.41-7), libcairo2 (= 1.18.4-1+b1), libcap-ng0 (= 0.8.5-4+b1), libcap2 (= 1:2.75-7), libcbor0.10 (= 0.10.2-2), libcc1-0 (= 14.2.0-19), libcom-err2 (= 1.47.2-1+b1), libcrypt-dev (= 1:4.4.38-1), libcrypt1 (= 1:4.4.38-1), libctf-nobfd0 (= 2.44-3), libctf0 (= 2.44-3), libcurl3t64-gnutls (= 8.13.0-5), libcurl4t64 (= 8.13.0-5), libdb5.3t64 (= 5.3.28+dfsg2-9), libdbus-1-3 (= 1.16.2-2), libdebconfclient0 (= 0.278), libdebhelper-perl (= 13.24.2), libdeflate0 (= 1.23-2), libdouble-conversion3 (= 3.3.1-1), libdpkg-perl (= 1.22.18), libdrm-amdgpu1 (= 2.4.124-2), libdrm-common (= 2.4.124-2), libdrm-intel1 (= 2.4.124-2), libdrm2 (= 2.4.124-2), libedit2 (= 3.1-20250104-1), libegl-mesa0 (= 25.0.4-1), libegl1 (= 1.7.0-1+b2), libelf1t64 (= 0.192-4), libevdev2 (= 1.13.4+dfsg-1), libevent-core-2.1-7t64 (= 2.1.12-stable-10+b1), libevent-pthreads-2.1-7t64 (= 2.1.12-stable-10+b1), libexpat1 (= 2.7.1-1), libexpat1-dev (= 2.7.1-1), libfabric1 (= 2.1.0-1), libffi8 (= 3.4.8-2), libfido2-1 (= 1.15.0-1+b1), libfile-stripnondeterminism-perl (= 1.14.1-2), libfontconfig1 (= 2.15.0-2.3), libfreetype6 (= 2.13.3+dfsg-1), libfribidi0 (= 1.0.16-1), libfuse3-4 (= 3.17.1+git250416-1), libgbm1 (= 25.0.4-1), libgcc-14-dev (= 14.2.0-19), libgcc-s1 (= 14.2.0-19), libgcrypt20 (= 1.11.0-7), libgdbm-compat4t64 (= 1.24-2), libgdbm6t64 (= 1.24-2), libgfortran5 (= 14.2.0-19), libgl1 (= 1.7.0-1+b2), libgl1-mesa-dri (= 25.0.4-1), libgl2ps1.4 (= 1.4.2+dfsg1-2), libglew2.2 (= 2.2.0-4+b2), libglib2.0-0t64 (= 2.84.1-2), libglvnd0 (= 1.7.0-1+b2), libglx-mesa0 (= 25.0.4-1), libglx0 (= 1.7.0-1+b2), libgmp10 (= 2:6.3.0+dfsg-3), libgnutls30t64 (= 3.8.9-2), libgomp1 (= 14.2.0-19), libgpg-error0 (= 1.51-4), libgprofng0 (= 2.44-3), libgraphite2-3 (= 1.3.14-2+b1), libgssapi-krb5-2 (= 1.21.3-5), libgudev-1.0-0 (= 238-6), libharfbuzz0b (= 10.2.0-1+b1), libhdf5-310 (= 1.14.5+repack-3), libhdf5-hl-310 (= 1.14.5+repack-3), libhogweed6t64 (= 3.10.1-1), libhsa-runtime64-1 (= 6.1.2-3), libhsakmt1 (= 6.2.4+ds-1), libhwasan0 (= 14.2.0-19), libhwloc-plugins (= 2.12.0-1), libhwloc15 (= 2.12.0-1), libibmad5 (= 56.1-1), libibumad3 (= 56.1-1), libibverbs1 (= 56.1-1), libice6 (= 2:1.1.1-1), libicu76 (= 76.1-3), libidn2-0 (= 2.3.8-2), libimagequant0 (= 2.18.0-1+b2), libinchi1.07 (= 1.07.3+dfsg-1), libinput-bin (= 1.28.1-1), libinput10 (= 1.28.1-1), libisl23 (= 0.27-1), libitm1 (= 14.2.0-19), libjansson4 (= 2.14-2+b3), libjbig0 (= 2.1-6.1+b2), libjpeg62-turbo (= 1:2.1.5-3.1), libjs-bootstrap (= 3.4.1+dfsg-4), libjs-jquery (= 3.6.1+dfsg+~3.5.14-1), libjs-jquery-ui (= 1.13.2+dfsg-1), libjs-mathjax (= 2.7.9+dfsg-1), libjs-sphinxdoc (= 8.1.3-5), libjs-underscore (= 1.13.4~dfsg+~1.11.4-3), libjson-perl (= 4.10000-1), libjsoncpp26 (= 1.9.6-3), libk5crypto3 (= 1.21.3-5), libkeyutils1 (= 1.6.3-6), libkrb5-3 (= 1.21.3-5), libkrb5support0 (= 1.21.3-5), liblapack3 (= 3.12.1-2), liblastlog2-2 (= 2.41-4), liblcms2-2 (= 2.16-2), libldap2 (= 2.6.9+dfsg-2), liblerc4 (= 4.0.0+ds-5), libllvm17t64 (= 1:17.0.6-21+b1), libllvm19 (= 1:19.1.7-3), liblsan0 (= 14.2.0-19), liblz4-1 (= 1.10.0-4), liblzf1 (= 3.6-4+b3), liblzma5 (= 5.8.1-1), libmaeparser1 (= 1.3.1-1+b2), libmagic-mgc (= 1:5.46-5), libmagic1t64 (= 1:5.46-5), libmd0 (= 1.1.0-2+b1), libmd4c0 (= 0.5.2-2+b1), libmount1 (= 2.41-4), libmpc3 (= 1.3.1-1+b3), libmpfr6 (= 4.2.2-1), libmtdev1t64 (= 1.1.7-1), libmunge2 (= 0.5.16-1), libncursesw6 (= 6.5+20250216-2), libnetcdf22 (= 1:4.9.3-1), libnettle8t64 (= 3.10.1-1), libnghttp2-14 (= 1.64.0-1.1), libnghttp3-9 (= 1.8.0-1), libngtcp2-16 (= 1.11.0-1), libngtcp2-crypto-gnutls8 (= 1.11.0-1), libnl-3-200 (= 3.7.0-2), libnl-route-3-200 (= 3.7.0-2), libnuma1 (= 2.0.19-1), libogg0 (= 1.3.5-3+b2), libopenbabel7 (= 3.1.1+dfsg-12), libopengl0 (= 1.7.0-1+b2), libopenjp2-7 (= 2.5.3-2), libopenmpi40 (= 5.0.7-1), libp11-kit0 (= 0.25.5-3), libpam-modules (= 1.7.0-3), libpam-modules-bin (= 1.7.0-3), libpam-runtime (= 1.7.0-3), libpam0g (= 1.7.0-3), libpciaccess0 (= 0.17-3+b3), libpcre2-16-0 (= 10.45-1), libpcre2-8-0 (= 10.45-1), libperl5.40 (= 5.40.1-3), libpipeline1 (= 1.5.8-1), libpixman-1-0 (= 0.44.0-3), libpmix2t64 (= 5.0.7-1), libpng16-16t64 (= 1.6.47-1.1), libproc2-0 (= 2:4.0.4-8), libproj25 (= 9.6.0-1), libpsl5t64 (= 0.21.2-1.1+b1), libpsm2-2 (= 11.2.185-2.1), libpython3-all-dev (= 3.13.3-1), libpython3-dev (= 3.13.3-1), libpython3-stdlib (= 3.13.3-1), libpython3.13 (= 3.13.3-2), libpython3.13-dev (= 3.13.3-2), libpython3.13-minimal (= 3.13.3-2), libpython3.13-stdlib (= 3.13.3-2), libqhull-r8.0 (= 2020.2-6+b2), libqt5core5t64 (= 5.15.15+dfsg-5), libqt5dbus5t64 (= 5.15.15+dfsg-5), libqt5gui5t64 (= 5.15.15+dfsg-5), libqt5network5t64 (= 5.15.15+dfsg-5), libqt5widgets5t64 (= 5.15.15+dfsg-5), libquadmath0 (= 14.2.0-19), libraqm0 (= 0.10.2-1), librdmacm1t64 (= 56.1-1), libreadline8t64 (= 8.2-6), librtmp1 (= 2.4+20151223.gitfa8646d.1-2+b5), libsasl2-2 (= 2.1.28+dfsg1-9), libsasl2-modules-db (= 2.1.28+dfsg1-9), libseccomp2 (= 2.6.0-2), libselinux1 (= 3.8.1-1), libsemanage-common (= 3.8.1-1), libsemanage2 (= 3.8.1-1), libsensors-config (= 1:3.6.2-2), libsensors5 (= 1:3.6.2-2), libsepol2 (= 3.8.1-1), libsframe1 (= 2.44-3), libsharpyuv0 (= 1.5.0-0.1), libsm6 (= 2:1.2.6-1), libsmartcols1 (= 2.41-4), libsqlite3-0 (= 3.46.1-3), libssh2-1t64 (= 1.11.1-1), libssl3t64 (= 3.5.0-1), libstdc++-14-dev (= 14.2.0-19), libstdc++6 (= 14.2.0-19), libsymspg2 (= 2.6.0-3), libsystemd0 (= 257.5-2), libsz2 (= 1.1.3-1+b1), libtasn1-6 (= 4.20.0-2), libtbb12 (= 2022.1.0-1), libtbbbind-2-5 (= 2022.1.0-1), libtbbmalloc2 (= 2022.1.0-1), libtcl8.6 (= 8.6.16+dfsg-1), libtheoradec1 (= 1.2.0~alpha1+dfsg-6), libtheoraenc1 (= 1.2.0~alpha1+dfsg-6), libtiff6 (= 4.7.0-3), libtinfo6 (= 6.5+20250216-2), libtk8.6 (= 8.6.16-1), libtool (= 2.5.4-4), libtsan2 (= 14.2.0-19), libubsan1 (= 14.2.0-19), libuchardet0 (= 0.0.8-1+b2), libucx0 (= 1.18.1+ds-2+b1), libudev1 (= 257.5-2), libunistring5 (= 1.3-2), libuuid1 (= 2.41-4), libvtk9.3 (= 9.3.0+dfsg1-4+b1), libvtk9.3-qt (= 9.3.0+dfsg1-4+b1), libvulkan1 (= 1.4.309.0-1), libwacom-common (= 2.14.0-1), libwacom9 (= 2.14.0-1), libwayland-client0 (= 1.23.1-3), libwayland-server0 (= 1.23.1-3), libwebp7 (= 1.5.0-0.1), libwebpdemux2 (= 1.5.0-0.1), libwebpmux3 (= 1.5.0-0.1), libx11-6 (= 2:1.8.12-1), libx11-data (= 2:1.8.12-1), libx11-xcb1 (= 2:1.8.12-1), libxau6 (= 1:1.0.11-1), libxcb-dri3-0 (= 1.17.0-2+b1), libxcb-glx0 (= 1.17.0-2+b1), libxcb-icccm4 (= 0.4.2-1), libxcb-image0 (= 0.4.0-2+b2), libxcb-keysyms1 (= 0.4.1-1), libxcb-present0 (= 1.17.0-2+b1), libxcb-randr0 (= 1.17.0-2+b1), libxcb-render-util0 (= 0.3.10-1), libxcb-render0 (= 1.17.0-2+b1), libxcb-shape0 (= 1.17.0-2+b1), libxcb-shm0 (= 1.17.0-2+b1), libxcb-sync1 (= 1.17.0-2+b1), libxcb-util1 (= 0.4.1-1), libxcb-xfixes0 (= 1.17.0-2+b1), libxcb-xinerama0 (= 1.17.0-2+b1), libxcb-xinput0 (= 1.17.0-2+b1), libxcb-xkb1 (= 1.17.0-2+b1), libxcb1 (= 1.17.0-2+b1), libxdmcp6 (= 1:1.1.5-1), libxext6 (= 2:1.3.4-1+b3), libxft2 (= 2.3.6-1+b4), libxkbcommon-x11-0 (= 1.7.0-2), libxkbcommon0 (= 1.7.0-2), libxml2 (= 2.12.7+dfsg+really2.9.14-0.4), libxnvctrl0 (= 535.171.04-1+b2), libxrender1 (= 1:0.9.12-1), libxshmfence1 (= 1.3.3-1), libxslt1.1 (= 1.1.35-1.2), libxss1 (= 1:1.2.3-1+b3), libxxf86vm1 (= 1:1.1.4-1+b4), libxxhash0 (= 0.8.3-2), libyaml-0-2 (= 0.2.5-2), libz3-4 (= 4.13.3-1), libzopfli1 (= 1.0.3-3), libzstd1 (= 1.5.7+dfsg-1), linux-libc-dev (= 6.12.25-1), login.defs (= 1:4.17.4-2), m4 (= 1.4.19-8), make (= 4.4.1-2), man-db (= 2.13.0-1), mawk (= 1.3.4.20250131-1), media-types (= 13.0.0), mesa-libgallium (= 25.0.4-1), mpi-default-bin (= 1.18), ncurses-base (= 6.5+20250216-2), ncurses-bin (= 6.5+20250216-2), netbase (= 6.5), ocl-icd-libopencl1 (= 2.3.3-1), openmpi-bin (= 5.0.7-1), openmpi-common (= 5.0.7-1), openssh-client (= 1:10.0p1-2), openssl (= 3.5.0-1), openssl-provider-legacy (= 3.5.0-1), packmol (= 1:21.0.1-1), passwd (= 1:4.17.4-2), patch (= 2.8-1), perl (= 5.40.1-3), perl-base (= 5.40.1-3), perl-modules-5.40 (= 5.40.1-3), po-debconf (= 1.0.21+nmu1), procps (= 2:4.0.4-8), proj-data (= 9.6.0-1), pybuild-plugin-pyproject (= 6.20250414), pymatgen-test-files (= 2025.2.18-1), python-babel-localedata (= 2.17.0-1), python-matplotlib-data (= 3.10.1+dfsg1-3), python3 (= 3.13.3-1), python3-alabaster (= 0.7.16-0.1), python3-all (= 3.13.3-1), python3-all-dev (= 3.13.3-1), python3-annotated-types (= 0.7.0-1), python3-ase (= 3.24.0-1), python3-attr (= 25.3.0-1), python3-autocommand (= 2.2.2-3), python3-babel (= 2.17.0-1), python3-brotli (= 1.1.0-2+b7), python3-bs4 (= 4.13.4-1), python3-bson (= 4.10.1-6), python3-build (= 1.2.2-1), python3-certifi (= 2025.1.31+ds-1), python3-cftime (= 1.6.4-2), python3-chardet (= 5.2.0+dfsg-2), python3-charset-normalizer (= 3.4.1-1+b1), python3-contourpy (= 1.3.1-1+b1), python3-cycler (= 0.12.1-1), python3-dateutil (= 2.9.0-4), python3-decorator (= 5.2.1-2), python3-defusedxml (= 0.7.1-3), python3-dev (= 3.13.3-1), python3-dnspython (= 2.7.0-1), python3-docutils (= 0.21.2+dfsg-2), python3-email-validator (= 2.2.0-1), python3-fastjsonschema (= 2.21.1-1), python3-fonttools (= 4.57.0-1), python3-frozendict (= 2.4.6-1), python3-fs (= 2.4.16-7), python3-h5py (= 3.13.0-1), python3-h5py-serial (= 3.13.0-1+b1), python3-idna (= 3.10-1), python3-imagesize (= 1.4.1-1), python3-inflect (= 7.3.1-2), python3-iniconfig (= 1.1.1-2), python3-installer (= 0.7.0+dfsg1-3), python3-jaraco.context (= 6.0.1-1), python3-jaraco.functools (= 4.1.0-1), python3-jaraco.text (= 4.0.0-1), python3-jinja2 (= 3.1.6-1), python3-joblib (= 1.4.2-3), python3-jsonschema (= 4.19.2-6), python3-jsonschema-specifications (= 2023.12.1-2), python3-jupyter-core (= 5.7.2-5), python3-kiwisolver (= 1.4.7-3+b1), python3-latexcodec (= 3.0.0-1), python3-lxml (= 5.3.2-1), python3-lz4 (= 4.4.0+dfsg-2), python3-markupsafe (= 2.1.5-1+b3), python3-matplotlib (= 3.10.1+dfsg1-3), python3-minimal (= 3.13.3-1), python3-monty (= 2025.3.3-1), python3-more-itertools (= 10.7.0-1), python3-mpi4py (= 4.0.3-4), python3-mpmath (= 1.3.0-1), python3-nbformat (= 5.9.1-1), python3-netcdf4 (= 1.7.2-1+b4), python3-networkx (= 3.2.1-5), python3-numpy (= 1:2.2.4+ds-1), python3-numpy-dev (= 1:2.2.4+ds-1), python3-openbabel (= 3.1.1+dfsg-12), python3-packaging (= 25.0-1), python3-palettable (= 3.3.3-1), python3-pandas (= 2.2.3+dfsg-9), python3-pandas-lib (= 2.2.3+dfsg-9), python3-phonopy (= 2.38.1-1), python3-pil (= 11.1.0-5+b1), python3-pil.imagetk (= 11.1.0-5+b1), python3-pkg-resources (= 78.1.0-1.2), python3-platformdirs (= 4.3.7-1), python3-plotly (= 5.20.0+dfsg-1), python3-pluggy (= 1.5.0-1), python3-pybtex (= 0.24.0-4), python3-pydantic (= 2.10.6-2), python3-pydantic-core (= 2.27.2-3), python3-pygments (= 2.18.0+dfsg-2), python3-pyparsing (= 3.1.2-1), python3-pyproject-hooks (= 1.2.0-1), python3-pytest (= 8.3.5-2), python3-pytz (= 2025.2-2), python3-referencing (= 0.36.2-1), python3-requests (= 2.32.3+dfsg-5), python3-roman (= 5.0-1), python3-rpds-py (= 0.21.0-2+b1), python3-ruamel.yaml (= 0.18.10+ds-1), python3-ruamel.yaml.clib (= 0.2.12+ds-1+b1), python3-scipy (= 1.15.2-8), python3-setuptools (= 78.1.0-1.2), python3-six (= 1.17.0-1), python3-snowballstemmer (= 2.2.0-4), python3-soupsieve (= 2.7-1), python3-spglib (= 2.6.0-3), python3-sphinx (= 8.1.3-5), python3-sphinx-rtd-theme (= 3.0.2+dfsg-2), python3-sphinxcontrib.jquery (= 4.1-5), python3-sympy (= 1.13.3-5), python3-tabulate (= 0.9.0-1), python3-tenacity (= 8.4.2+really8.4.1-2), python3-tk (= 3.13.3-1), python3-toml (= 0.10.2-1), python3-tqdm (= 4.67.1-4), python3-traitlets (= 5.14.3+really5.14.3-1), python3-typeguard (= 4.4.2-1), python3-typing-extensions (= 4.13.2-1), python3-tz (= 2025.2-2), python3-ufolib2 (= 0.17.1+dfsg1-1), python3-uncertainties (= 3.2.2-1), python3-urllib3 (= 2.3.0-2), python3-vtk9 (= 9.3.0+dfsg1-4+b1), python3-wheel (= 0.46.1-2), python3-yaml (= 6.0.2-1+b2), python3-zipp (= 3.21.0-1), python3-zopfli (= 0.2.3.post1-1+b1), python3.13 (= 3.13.3-2), python3.13-dev (= 3.13.3-2), python3.13-minimal (= 3.13.3-2), python3.13-tk (= 3.13.3-2), readline-common (= 8.2-6), rpcsvc-proto (= 1.4.3-1), sed (= 4.9-2), sensible-utils (= 0.0.25), sgml-base (= 1.31+nmu1), shared-mime-info (= 2.4-5+b2), sphinx-common (= 8.1.3-5), sphinx-rtd-theme-common (= 3.0.2+dfsg-2), sysvinit-utils (= 3.14-4), tar (= 1.35+dfsg-3.1), tk8.6-blt2.5 (= 2.5.3+dfsg-8), tzdata (= 2025b-2), unicode-data (= 15.1.0-1), util-linux (= 2.41-4), x11-common (= 1:7.7+24), xkb-data (= 2.42-1), xml-core (= 0.19), xz-utils (= 5.8.1-1), zlib1g (= 1:1.3.dfsg+really1.3.1-1+b1), zlib1g-dev (= 1:1.3.dfsg+really1.3.1-1+b1) Environment: DEB_BUILD_OPTIONS="parallel=8" GNUMAKEFLAGS="--trace --shuffle=reverse" LANG="C.UTF-8" LC_COLLATE="C.UTF-8" LC_CTYPE="C.UTF-8" SOURCE_DATE_EPOCH="1740653534" +------------------------------------------------------------------------------+ | Package contents Thu, 01 May 2025 13:15:36 +0000 | +------------------------------------------------------------------------------+ python-pymatgen-doc_2025.2.18+dfsg1-4_all.deb --------------------------------------------- new Debian package, version 2.0. size 1326392 bytes: control archive=3980 bytes. 1238 bytes, 32 lines control 12185 bytes, 117 lines md5sums Package: python-pymatgen-doc Source: pymatgen Version: 2025.2.18+dfsg1-4 Architecture: all Maintainer: Debichem Team Installed-Size: 23113 Depends: libjs-jquery (>= 3.6.0), libjs-mathjax, libjs-sphinxdoc (>= 8.1), sphinx-rtd-theme-common (>= 3.0.2+dfsg) Section: doc Priority: optional Multi-Arch: foreign Homepage: https://pymatgen.org/ Description: Python Materials Genomics for materials analysis (documentation) Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features: . 1.Highly flexible classes for the representation of Element, Site, Molecule, Structure objects. . 2. Extensive input/output support, including support for VASP (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, Gaussian, XYZ, and many other file formats. . 3. Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc. . 4. Electronic structure analyses, such as density of states and band structure. . 5. Integration with the Materials Project REST API, Crystallography Open Database. . 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--------------------------------------------------- new Debian package, version 2.0. size 1227640 bytes: control archive=700 bytes. 483 bytes, 12 lines control 411 bytes, 4 lines md5sums Package: python3-pymatgen-dbgsym Source: pymatgen Version: 2025.2.18+dfsg1-4 Auto-Built-Package: debug-symbols Architecture: amd64 Maintainer: Debichem Team Installed-Size: 1318 Depends: python3-pymatgen (= 2025.2.18+dfsg1-4) Section: debug Priority: optional Description: debug symbols for python3-pymatgen Build-Ids: 35c583a9c76345dcc21613b6b1908925431f1da1 6c8c46eccbf8886735085dafe6b27f843f6df3e8 964a468a45815614afca935e984afe8e9897a338 drwxr-xr-x root/root 0 2025-02-27 10:52 ./ drwxr-xr-x root/root 0 2025-02-27 10:52 ./usr/ drwxr-xr-x root/root 0 2025-02-27 10:52 ./usr/lib/ drwxr-xr-x root/root 0 2025-02-27 10:52 ./usr/lib/debug/ drwxr-xr-x root/root 0 2025-02-27 10:52 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2025-02-27 10:52 ./usr/lib/debug/.build-id/35/ -rw-r--r-- root/root 452040 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-------------------------------------------- new Debian package, version 2.0. size 2605164 bytes: control archive=13716 bytes. 1848 bytes, 33 lines control 50634 bytes, 474 lines md5sums 279 bytes, 12 lines * postinst #!/bin/sh 392 bytes, 12 lines * prerm #!/bin/sh Package: python3-pymatgen Source: pymatgen Version: 2025.2.18+dfsg1-4 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 18473 Depends: python3 (<< 3.14), python3 (>= 3.13~), python3-joblib (>= 1~), python3-matplotlib (>= 3.8~), python3-monty (>= 2025.1.9~), python3-networkx (>= 3~), python3-numpy (>= 1.25.0~), python3-numpy2-abi0 | python3-numpy-abi9, python3-palettable (>= 3.3.3~), python3-pandas (>= 2~), python3-plotly (>= 5.0.0~), python3-pybtex (>= 0.24.0~), python3-requests (>= 2.32~), python3-ruamel.yaml (>= 0.17.0~), python3-scipy (>= 1.13.0~), python3-spglib (>= 2.5.0~), python3-sympy (>= 1.6.2~), python3-tabulate (>= 0.9~), python3-tqdm (>= 4.60~), python3-uncertainties (>= 3.1.4~), python3:any, libc6 (>= 2.14) Recommends: python3-openbabel, python3-ase (>= 3.23.0~), python3-vtk9 | python3-paraview Suggests: python-pymatgen-doc, python3-mp-api (>= 0.27.3~) Section: python Priority: optional Homepage: https://pymatgen.org/ Description: Python Materials Genomics for materials analysis Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features: . 1.Highly flexible classes for the representation of Element, Site, Molecule, Structure objects. . 2. Extensive input/output support, including support for VASP (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, Gaussian, XYZ, and many other file formats. . 3. Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc. . 4. Electronic structure analyses, such as density of states and band structure. . 5. Integration with the Materials Project REST API, Crystallography Open Database. . 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Post Build Thu, 01 May 2025 13:15:41 +0000 | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup Thu, 01 May 2025 13:15:41 +0000 | +------------------------------------------------------------------------------+ Purging /build/reproducible-path Not cleaning session: cloned chroot in use +------------------------------------------------------------------------------+ | Summary Thu, 01 May 2025 13:15:45 +0000 | +------------------------------------------------------------------------------+ Build Architecture: amd64 Build Type: full Build-Space: 335188 Build-Time: 1949 Distribution: unstable Host Architecture: amd64 Install-Time: 175 Job: pymatgen_2025.2.18+dfsg1-4 Machine Architecture: amd64 Package: pymatgen Package-Time: 2140 Source-Version: 2025.2.18+dfsg1-4 Space: 335188 Status: successful Version: 2025.2.18+dfsg1-4 -------------------------------------------------------------------------------- Finished at 2025-05-01T13:15:34Z Build needed 00:35:40, 335188k disk space DC-Status: OK 2151.819815495s DC-Time-Estimation: 2151.819815495 versus expected 3352 (r/m: 0.5577512465786607 ; m: 2151.819815495)