Sun Dec 15 17:21:39 UTC 2024 I: starting to build pymatgen/unstable/amd64 on jenkins on '2024-12-15 17:21' Sun Dec 15 17:21:39 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_14/26560/console.log Sun Dec 15 17:21:39 UTC 2024 I: Downloading source for unstable/pymatgen=2024.10.29+dfsg1-4 --2024-12-15 17:21:39-- http://deb.debian.org/debian/pool/main/p/pymatgen/pymatgen_2024.10.29%2bdfsg1-4.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 3223 (3.1K) [text/prs.lines.tag] Saving to: ‘pymatgen_2024.10.29+dfsg1-4.dsc’ 0K ... 100% 378M=0s 2024-12-15 17:21:39 (378 MB/s) - ‘pymatgen_2024.10.29+dfsg1-4.dsc’ saved [3223/3223] Sun Dec 15 17:21:39 UTC 2024 I: pymatgen_2024.10.29+dfsg1-4.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA256 Format: 3.0 (quilt) Source: pymatgen Binary: python3-pymatgen, python-pymatgen-doc Architecture: any all Version: 2024.10.29+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-emmet-core Build-Depends: debhelper-compat (= 13), pymatgen-test-files (>= 2024.10.29~) , dh-python, dh-sequence-python3, cython3, pybuild-plugin-pyproject, python3-setuptools, python3-all-dev, python3-pytest, python3-frozendict, python3-matplotlib (>= 3.8~), python3-monty (>= 2024.7.29~), python3-networkx (>= 3~), python3-numpy (>= 1.25.0~), python3-palettable (>= 3.3.3~), python3-pandas (>= 2~), python3-plotly (>= 4.5.0~), 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 (>= 2.23~), python3-openbabel (>= 3.1.1~), packmol [!armel !riscv64] , python3-emmet-core 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: 5150b54d1e064db5ded717ad96065f53f277adc0 9756668 pymatgen_2024.10.29+dfsg1.orig.tar.xz ba957c5685d689e4ef1ef71d01424dfb3ff3fbba 17104 pymatgen_2024.10.29+dfsg1-4.debian.tar.xz Checksums-Sha256: 1fcce326a821751b560fde5d3287f9beced7c7681945ae4ab33151f29614a185 9756668 pymatgen_2024.10.29+dfsg1.orig.tar.xz a9e1beb9d3924acab71cf5d51172c14c8937e703d804360f77109302b90e6379 17104 pymatgen_2024.10.29+dfsg1-4.debian.tar.xz Files: a2a3ac43c3e068f1b9578e6aeb0ad2f2 9756668 pymatgen_2024.10.29+dfsg1.orig.tar.xz 76b67ce90ded52452900795ad1481950 17104 pymatgen_2024.10.29+dfsg1-4.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEEI8mpPlhYGekSbQo2Vz7x5L1aAfoFAmdDYwAACgkQVz7x5L1a Afrdnw/8DLwUZL24Mrc7ppXnsJ6knGcmKV+t0/5Ti7EfcR7rLeoGv73ZPWcnaQza ckpdGn9M8Izfz6z6a4T7NwzZ9dsA2s01GMNtdKcph4Kr3BD64xUeU9lc75/kY5E6 cg6v6X2BJ1mQ4kxPLzonSRARgERhyxfheyKQqiAIQvQXo2MNk+UfS9wN516+iW5V rNob1wZellZNDMrTm2lyre5GQxn0Q8SrBv42VLyARm4j+GcC4+EI4hKCfkVY8hCJ Hh4Ozg8ftPkWbNKKUUYxtAVG9mxzg+5/HWnfIjYKFhSPR7vEYsoHZ+cZlpKyjSOT jBd3ephy5GZOXc8LyYjOEBheNI8nQq2e7MvaDz5+3c0TZJ3KvPuljG1rChs/e8mG BU0ouHL1k8NoZcPu/QCV2L7iVG7oCwbYVq7xmuTSN1O5JeQ/aAbtUTGSyAjslAKO BW72C068RahfdOkbPW6vCTq/Nctvsy28qg/9s/LhTrnmvb3Y/GiysgVerMgROVgX SStUVfX9pWELn1ZTPG6u2UcGWAVlHCHAgnpGbC9exYyzZT2YauAZqguZhPZKd0ad JjvtYJ6uH3YAJGA4FT7sC8I7SACveVzI3JfM+U7j8cNbKdDYE35nSPuf3WZStKEu gItoMipZeiQjoBX1ueeMWvDVLFHlAmbuWo8rfAY4b8Ljgp5jkZM= =igie -----END PGP SIGNATURE----- Sun Dec 15 17:21:39 UTC 2024 I: Checking whether the package is not for us Sun Dec 15 17:21:39 UTC 2024 I: Starting 1st build on remote node ionos5-amd64.debian.net. Sun Dec 15 17:21:39 UTC 2024 I: Preparing to do remote build '1' on ionos5-amd64.debian.net. Sun Dec 15 22:38:15 UTC 2024 I: Deleting $TMPDIR on ionos5-amd64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Sat Jan 17 11:44:59 -12 2026 I: pbuilder-time-stamp: 1768693499 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [pymatgen_2024.10.29+dfsg1-4.dsc] I: copying [./pymatgen_2024.10.29+dfsg1.orig.tar.xz] I: copying [./pymatgen_2024.10.29+dfsg1-4.debian.tar.xz] I: Extracting source gpgv: Signature made Sun Nov 24 17:31:44 2024 gpgv: using RSA key 23C9A93E585819E9126D0A36573EF1E4BD5A01FA gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./pymatgen_2024.10.29+dfsg1-4.dsc: no acceptable signature found dpkg-source: info: extracting pymatgen in pymatgen-2024.10.29+dfsg1 dpkg-source: info: unpacking pymatgen_2024.10.29+dfsg1.orig.tar.xz dpkg-source: info: unpacking pymatgen_2024.10.29+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 dpkg-source: warning: diff 'pymatgen-2024.10.29+dfsg1/debian/patches/32bit_indexing_PR4194.patch' patches file pymatgen-2024.10.29+dfsg1/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py more than once dpkg-source: info: applying 32bit_indexing_PR4194.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/518480/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='amd64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='31e7af95bac44f23af021e5ff07afbf3' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='518480' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.7PAXeJch/pbuilderrc_6D1i --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.7PAXeJch/b1 --logfile b1/build.log pymatgen_2024.10.29+dfsg1-4.dsc' SUDO_GID='110' SUDO_UID='105' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://213.165.73.152:3128' I: uname -a Linux ionos5-amd64 6.11.5+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.11.5-1~bpo12+1 (2024-11-11) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/518480/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), pymatgen-test-files (>= 2024.10.29~), dh-python, dh-sequence-python3, cython3, pybuild-plugin-pyproject, python3-setuptools, python3-all-dev, python3-pytest, python3-frozendict, python3-matplotlib (>= 3.8~), python3-monty (>= 2024.7.29~), python3-networkx (>= 3~), python3-numpy (>= 1.25.0~), python3-palettable (>= 3.3.3~), python3-pandas (>= 2~), python3-plotly (>= 4.5.0~), 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 (>= 2.23~), python3-openbabel (>= 3.1.1~), packmol, python3-emmet-core, dh-sequence-sphinxdoc, libjs-jquery, libjs-mathjax, python3-sphinx-rtd-theme dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19965 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on pymatgen-test-files (>= 2024.10.29~); however: Package pymatgen-test-files is not installed. pbuilder-satisfydepends-dummy depends on dh-python; however: Package dh-python is not installed. pbuilder-satisfydepends-dummy depends on dh-sequence-python3; however: Package dh-sequence-python3 is not installed. pbuilder-satisfydepends-dummy depends on cython3; however: Package cython3 is not installed. pbuilder-satisfydepends-dummy depends on pybuild-plugin-pyproject; however: Package pybuild-plugin-pyproject is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on python3-all-dev; however: Package python3-all-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-pytest; however: Package python3-pytest is not installed. pbuilder-satisfydepends-dummy depends on python3-frozendict; however: Package python3-frozendict is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib (>= 3.8~); however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-monty (>= 2024.7.29~); however: Package python3-monty is not installed. pbuilder-satisfydepends-dummy depends on python3-networkx (>= 3~); however: Package python3-networkx is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy (>= 1.25.0~); however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-palettable (>= 3.3.3~); however: Package python3-palettable is not installed. pbuilder-satisfydepends-dummy depends on python3-pandas (>= 2~); however: Package python3-pandas is not installed. pbuilder-satisfydepends-dummy depends on python3-plotly (>= 4.5.0~); however: Package python3-plotly is not installed. pbuilder-satisfydepends-dummy depends on python3-pybtex (>= 0.24.0~); however: Package python3-pybtex is not installed. pbuilder-satisfydepends-dummy depends on python3-requests (>= 2.32~); however: Package python3-requests is not installed. pbuilder-satisfydepends-dummy depends on python3-ruamel.yaml (>= 0.17.0~); however: Package python3-ruamel.yaml is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy (>= 1.13.0~); however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-spglib (>= 2.5.0~); however: Package python3-spglib is not installed. pbuilder-satisfydepends-dummy depends on python3-sympy (>= 1.6.2~); however: Package python3-sympy is not installed. pbuilder-satisfydepends-dummy depends on python3-tabulate (>= 0.9~); however: Package python3-tabulate is not installed. pbuilder-satisfydepends-dummy depends on python3-tqdm (>= 4.60~); however: Package python3-tqdm is not installed. pbuilder-satisfydepends-dummy depends on python3-uncertainties (>= 3.1.4~); however: Package python3-uncertainties is not installed. pbuilder-satisfydepends-dummy depends on python3-joblib (>= 1~); however: Package python3-joblib is not installed. pbuilder-satisfydepends-dummy depends on python3-ase (>= 3.23.0~); however: Package python3-ase is not installed. pbuilder-satisfydepends-dummy depends on python3-bs4 (>= 4.9.1~); however: Package python3-bs4 is not installed. pbuilder-satisfydepends-dummy depends on python3-vtk9 | python3-paraview; however: Package python3-vtk9 is not installed. Package python3-paraview is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py (>= 3.11.0~); however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-netcdf4 (>= 1.6.5~); however: Package python3-netcdf4 is not installed. pbuilder-satisfydepends-dummy depends on python3-phonopy (>= 2.23~); however: Package python3-phonopy is not installed. pbuilder-satisfydepends-dummy depends on python3-openbabel (>= 3.1.1~); however: Package python3-openbabel is not installed. pbuilder-satisfydepends-dummy depends on packmol; however: Package packmol is not installed. pbuilder-satisfydepends-dummy depends on python3-emmet-core; however: Package python3-emmet-core is not installed. pbuilder-satisfydepends-dummy depends on dh-sequence-sphinxdoc; however: Package dh-sequence-sphinxdoc is not installed. pbuilder-satisfydepends-dummy depends on libjs-jquery; however: Package libjs-jquery is not installed. pbuilder-satisfydepends-dummy depends on libjs-mathjax; however: Package libjs-mathjax is not installed. pbuilder-satisfydepends-dummy depends on python3-sphinx-rtd-theme; however: Package python3-sphinx-rtd-theme is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} ca-certificates{a} cython3{a} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} docutils-common{a} dwz{a} file{a} fontconfig{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-font-awesome{a} fonts-glyphicons-halflings{a} fonts-lato{a} fonts-lyx{a} fonts-mathjax{a} gettext{a} gettext-base{a} groff-base{a} ibverbs-providers{a} intltool-debian{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas3{a} libbrotli1{a} libcairo2{a} libcbor0.10{a} libcom-err2{a} libcurl3t64-gnutls{a} libcurl4t64{a} libdbus-1-3{a} libdebhelper-perl{a} libdeflate0{a} libdouble-conversion3{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm-intel1{a} libdrm-radeon1{a} libdrm2{a} libedit2{a} libegl-mesa0{a} libegl1{a} libelf1t64{a} libevdev2{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfido2-1{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgbm1{a} libgfortran5{a} libgl1{a} libgl1-mesa-dri{a} libgl2ps1.4{a} libglapi-mesa{a} libglew2.2{a} libglib2.0-0t64{a} libglvnd0{a} libglx-mesa0{a} libglx0{a} libgraphite2-3{a} libgssapi-krb5-2{a} libgudev-1.0-0{a} libharfbuzz0b{a} libhdf5-310{a} libhdf5-hl-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libice6{a} libicu72{a} libimagequant0{a} libinchi1.07{a} libinput-bin{a} libinput10{a} libjbig0{a} libjpeg62-turbo{a} libjs-bootstrap{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-mathjax{a} libjs-sphinxdoc{a} libjs-underscore{a} libjson-perl{a} libjsoncpp26{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libllvm17t64{a} libllvm19{a} liblzf1{a} libmaeparser1{a} libmagic-mgc{a} libmagic1t64{a} libmd4c0{a} libmtdev1t64{a} libmunge2{a} libnetcdf19t64{a} libnghttp2-14{a} libnghttp3-9{a} libngtcp2-16{a} libngtcp2-crypto-gnutls8{a} libnl-3-200{a} libnl-route-3-200{a} libnsl2{a} libnuma1{a} libogg0{a} libopenbabel7{a} libopengl0{a} libopenjp2-7{a} libopenmpi40{a} libpciaccess0{a} libpcre2-16-0{a} libpipeline1{a} libpixman-1-0{a} libpmix2t64{a} libpng16-16t64{a} libproc2-0{a} libproj25{a} libpsl5t64{a} libpsm-infinipath1{a} libpsm2-2{a} libpython3-all-dev{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libqt5core5t64{a} libqt5dbus5t64{a} libqt5gui5t64{a} libqt5network5t64{a} libqt5widgets5t64{a} libraqm0{a} librdmacm1t64{a} libreadline8t64{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsensors-config{a} libsensors5{a} libsharpyuv0{a} libsm6{a} libssh2-1t64{a} libsymspg2{a} libsz2{a} libtbb12{a} libtbbbind-2-5{a} libtbbmalloc2{a} libtcl8.6{a} libtheora0{a} libtiff6{a} libtirpc-common{a} libtirpc3t64{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libvtk9.3{a} libvtk9.3-qt{a} libvulkan1{a} libwacom-common{a} libwacom9{a} libwayland-client0{a} libwayland-server0{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libx11-xcb1{a} libxau6{a} libxcb-dri2-0{a} libxcb-dri3-0{a} libxcb-glx0{a} libxcb-icccm4{a} libxcb-image0{a} libxcb-keysyms1{a} libxcb-present0{a} libxcb-randr0{a} libxcb-render-util0{a} libxcb-render0{a} libxcb-shape0{a} libxcb-shm0{a} libxcb-sync1{a} libxcb-util1{a} libxcb-xfixes0{a} libxcb-xinerama0{a} libxcb-xinput0{a} libxcb-xkb1{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxfixes3{a} libxft2{a} libxkbcommon-x11-0{a} libxkbcommon0{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxshmfence1{a} libxslt1.1{a} libxss1{a} libxxf86vm1{a} libyaml-0-2{a} libz3-4{a} m4{a} man-db{a} media-types{a} mesa-libgallium{a} mpi-default-bin{a} netbase{a} ocl-icd-libopencl1{a} openmpi-bin{a} openmpi-common{a} openssh-client{a} openssl{a} packmol{a} po-debconf{a} procps{a} proj-data{a} pybuild-plugin-pyproject{a} pymatgen-test-files{a} python-babel-localedata{a} python-matplotlib-data{a} python3{a} python3-alabaster{a} python3-all{a} python3-all-dev{a} python3-annotated-types{a} python3-appdirs{a} python3-ase{a} python3-attr{a} python3-autocommand{a} python3-babel{a} python3-brotli{a} python3-bs4{a} python3-bson{a} python3-build{a} python3-certifi{a} python3-cftime{a} python3-chardet{a} python3-charset-normalizer{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-defusedxml{a} python3-dev{a} python3-dnspython{a} python3-docutils{a} python3-dotenv{a} python3-email-validator{a} python3-emmet-core{a} python3-fastjsonschema{a} python3-fonttools{a} python3-frozendict{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-idna{a} python3-imagesize{a} python3-inflect{a} python3-iniconfig{a} python3-installer{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-jinja2{a} python3-joblib{a} python3-jsonschema{a} python3-jsonschema-specifications{a} python3-jupyter-core{a} python3-kiwisolver{a} python3-latexcodec{a} python3-lxml{a} python3-lz4{a} python3-markupsafe{a} python3-matplotlib{a} python3-minimal{a} python3-monty{a} python3-more-itertools{a} python3-mpi4py{a} python3-mpmath{a} python3-nbformat{a} python3-netcdf4{a} python3-networkx{a} python3-numpy{a} python3-openbabel{a} python3-packaging{a} python3-palettable{a} python3-pandas{a} python3-pandas-lib{a} python3-phonopy{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-plotly{a} python3-pluggy{a} python3-pybtex{a} python3-pydantic{a} python3-pydantic-core{a} python3-pydantic-settings{a} python3-pygments{a} python3-pymatgen{a} python3-pyparsing{a} python3-pyproject-hooks{a} python3-pytest{a} python3-referencing{a} python3-requests{a} python3-roman{a} python3-rpds-py{a} python3-ruamel.yaml{a} python3-ruamel.yaml.clib{a} python3-scipy{a} python3-setuptools{a} python3-six{a} python3-snowballstemmer{a} python3-soupsieve{a} python3-spglib{a} python3-sphinx{a} python3-sphinx-rtd-theme{a} python3-sphinxcontrib.jquery{a} python3-sympy{a} python3-tabulate{a} python3-tenacity{a} python3-tk{a} python3-toml{a} python3-tqdm{a} python3-traitlets{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-uncertainties{a} python3-urllib3{a} python3-vtk9{a} python3-wheel{a} python3-yaml{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} python3.12-tk{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} readline-common{a} sensible-utils{a} sgml-base{a} shared-mime-info{a} sphinx-common{a} sphinx-rtd-theme-common{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} xkb-data{a} xml-core{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: curl dbus isympy-common javascript-common krb5-locales libarchive-cpio-perl libglib2.0-data libjson-xs-perl libldap-common libltdl-dev libmail-sendmail-perl libpaper-utils libqt5svg5 libsasl2-modules linux-sysctl-defaults lynx mesa-vulkan-drivers psmisc publicsuffix python-monty-doc python3-bottleneck python3-bson-ext python3-cryptography python3-cssselect python3-gdal python3-h2 python3-html5lib python3-httpcore python3-httpx python3-json-pointer python3-numba python3-numexpr python3-odf python3-olefile python3-openpyxl python3-pooch python3-psutil python3-pydot python3-pygraphviz python3-rfc3987 python3-simplejson python3-tables python3-tomli python3-torch python3-uritemplate python3-webcolors qt5-gtk-platformtheme qttranslations5-l10n qtwayland5 tcl wget xauth xdg-user-dirs 0 packages upgraded, 393 newly installed, 0 to remove and 0 not upgraded. Need to get 556 MB of archives. After unpacking 2298 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main amd64 fonts-lato all 2.015-1 [2780 kB] Get: 2 http://deb.debian.org/debian unstable/main amd64 libpython3.12-minimal amd64 3.12.8-3 [817 kB] Get: 3 http://deb.debian.org/debian unstable/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 4 http://deb.debian.org/debian unstable/main amd64 python3.12-minimal amd64 3.12.8-3 [2162 kB] Get: 5 http://deb.debian.org/debian unstable/main amd64 python3-minimal amd64 3.12.7-1 [26.8 kB] Get: 6 http://deb.debian.org/debian unstable/main amd64 media-types all 10.1.0 [26.9 kB] Get: 7 http://deb.debian.org/debian unstable/main amd64 netbase all 6.4 [12.8 kB] Get: 8 http://deb.debian.org/debian unstable/main amd64 tzdata all 2024b-4 [256 kB] Get: 9 http://deb.debian.org/debian unstable/main amd64 libkrb5support0 amd64 1.21.3-3 [32.5 kB] Get: 10 http://deb.debian.org/debian unstable/main amd64 libcom-err2 amd64 1.47.2~rc1-2 [23.8 kB] Get: 11 http://deb.debian.org/debian unstable/main amd64 libk5crypto3 amd64 1.21.3-3 [79.9 kB] Get: 12 http://deb.debian.org/debian unstable/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B] Get: 13 http://deb.debian.org/debian unstable/main amd64 libkrb5-3 amd64 1.21.3-3 [324 kB] Get: 14 http://deb.debian.org/debian unstable/main amd64 libgssapi-krb5-2 amd64 1.21.3-3 [136 kB] Get: 15 http://deb.debian.org/debian unstable/main amd64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 16 http://deb.debian.org/debian unstable/main amd64 libtirpc3t64 amd64 1.3.4+ds-1.3+b1 [83.1 kB] Get: 17 http://deb.debian.org/debian unstable/main amd64 libnsl2 amd64 1.3.0-3+b3 [40.6 kB] Get: 18 http://deb.debian.org/debian unstable/main amd64 readline-common all 8.2-6 [69.4 kB] Get: 19 http://deb.debian.org/debian unstable/main amd64 libreadline8t64 amd64 8.2-6 [169 kB] Get: 20 http://deb.debian.org/debian unstable/main amd64 libpython3.12-stdlib amd64 3.12.8-3 [1969 kB] Get: 21 http://deb.debian.org/debian unstable/main amd64 python3.12 amd64 3.12.8-3 [677 kB] Get: 22 http://deb.debian.org/debian unstable/main amd64 libpython3-stdlib amd64 3.12.7-1 [9712 B] Get: 23 http://deb.debian.org/debian unstable/main amd64 python3 amd64 3.12.7-1 [27.8 kB] Get: 24 http://deb.debian.org/debian unstable/main amd64 libpython3.13-minimal amd64 3.13.1-2 [858 kB] Get: 25 http://deb.debian.org/debian unstable/main amd64 python3.13-minimal amd64 3.13.1-2 [2198 kB] Get: 26 http://deb.debian.org/debian unstable/main amd64 sgml-base all 1.31 [15.4 kB] Get: 27 http://deb.debian.org/debian unstable/main amd64 libproc2-0 amd64 2:4.0.4-6 [64.8 kB] Get: 28 http://deb.debian.org/debian unstable/main amd64 procps amd64 2:4.0.4-6 [879 kB] Get: 29 http://deb.debian.org/debian unstable/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 30 http://deb.debian.org/debian unstable/main amd64 openssl amd64 3.3.2-2 [1382 kB] Get: 31 http://deb.debian.org/debian unstable/main amd64 ca-certificates all 20240203 [158 kB] Get: 32 http://deb.debian.org/debian unstable/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 33 http://deb.debian.org/debian unstable/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 34 http://deb.debian.org/debian unstable/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 35 http://deb.debian.org/debian unstable/main amd64 gettext-base amd64 0.22.5-2 [200 kB] Get: 36 http://deb.debian.org/debian unstable/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 37 http://deb.debian.org/debian unstable/main amd64 groff-base amd64 1.23.0-6 [1184 kB] Get: 38 http://deb.debian.org/debian unstable/main amd64 bsdextrautils amd64 2.40.2-12 [92.0 kB] Get: 39 http://deb.debian.org/debian unstable/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 40 http://deb.debian.org/debian unstable/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 41 http://deb.debian.org/debian unstable/main amd64 libedit2 amd64 3.1-20240808-1 [93.9 kB] Get: 42 http://deb.debian.org/debian unstable/main amd64 libcbor0.10 amd64 0.10.2-2 [28.3 kB] Get: 43 http://deb.debian.org/debian unstable/main amd64 libfido2-1 amd64 1.15.0-1+b1 [78.7 kB] Get: 44 http://deb.debian.org/debian unstable/main amd64 openssh-client amd64 1:9.9p1-3 [991 kB] Get: 45 http://deb.debian.org/debian unstable/main amd64 m4 amd64 1.4.19-4 [287 kB] Get: 46 http://deb.debian.org/debian unstable/main amd64 autoconf all 2.72-3 [493 kB] Get: 47 http://deb.debian.org/debian unstable/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 48 http://deb.debian.org/debian unstable/main amd64 automake all 1:1.16.5-1.3 [823 kB] Get: 49 http://deb.debian.org/debian unstable/main amd64 autopoint all 0.22.5-2 [723 kB] Get: 50 http://deb.debian.org/debian unstable/main amd64 libtcl8.6 amd64 8.6.15+dfsg-2 [1042 kB] Get: 51 http://deb.debian.org/debian unstable/main amd64 libbrotli1 amd64 1.1.0-2+b6 [302 kB] Get: 52 http://deb.debian.org/debian unstable/main amd64 libpng16-16t64 amd64 1.6.44-3 [280 kB] Get: 53 http://deb.debian.org/debian unstable/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get: 54 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 55 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 56 http://deb.debian.org/debian unstable/main amd64 fontconfig-config amd64 2.15.0-1.1+b1 [318 kB] Get: 57 http://deb.debian.org/debian unstable/main amd64 libfontconfig1 amd64 2.15.0-1.1+b1 [391 kB] Get: 58 http://deb.debian.org/debian unstable/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get: 59 http://deb.debian.org/debian unstable/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get: 60 http://deb.debian.org/debian unstable/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get: 61 http://deb.debian.org/debian unstable/main amd64 libx11-data all 2:1.8.10-2 [337 kB] Get: 62 http://deb.debian.org/debian unstable/main amd64 libx11-6 amd64 2:1.8.10-2 [813 kB] Get: 63 http://deb.debian.org/debian unstable/main amd64 libxrender1 amd64 1:0.9.10-1.1+b2 [27.8 kB] Get: 64 http://deb.debian.org/debian unstable/main amd64 libxft2 amd64 2.3.6-1+b2 [54.5 kB] Get: 65 http://deb.debian.org/debian unstable/main amd64 libxext6 amd64 2:1.3.4-1+b2 [50.5 kB] Get: 66 http://deb.debian.org/debian unstable/main amd64 x11-common all 1:7.7+23.1 [216 kB] Get: 67 http://deb.debian.org/debian unstable/main amd64 libxss1 amd64 1:1.2.3-1+b2 [17.0 kB] Get: 68 http://deb.debian.org/debian unstable/main amd64 libtk8.6 amd64 8.6.15-1 [791 kB] Get: 69 http://deb.debian.org/debian unstable/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-7 [586 kB] Get: 70 http://deb.debian.org/debian unstable/main amd64 blt amd64 2.5.3+dfsg-7 [6024 B] Get: 71 http://deb.debian.org/debian unstable/main amd64 cython3 amd64 3.0.11+dfsg-1+b1 [3157 kB] Get: 72 http://deb.debian.org/debian unstable/main amd64 libdebhelper-perl all 13.20 [89.7 kB] Get: 73 http://deb.debian.org/debian unstable/main amd64 libtool all 2.4.7-8 [517 kB] Get: 74 http://deb.debian.org/debian unstable/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 75 http://deb.debian.org/debian unstable/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 76 http://deb.debian.org/debian unstable/main amd64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 77 http://deb.debian.org/debian unstable/main amd64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 78 http://deb.debian.org/debian unstable/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 79 http://deb.debian.org/debian unstable/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 80 http://deb.debian.org/debian unstable/main amd64 libicu72 amd64 72.1-5+b1 [9423 kB] Get: 81 http://deb.debian.org/debian unstable/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b1 [699 kB] Get: 82 http://deb.debian.org/debian unstable/main amd64 gettext amd64 0.22.5-2 [1601 kB] Get: 83 http://deb.debian.org/debian unstable/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 84 http://deb.debian.org/debian unstable/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 85 http://deb.debian.org/debian unstable/main amd64 debhelper all 13.20 [915 kB] Get: 86 http://deb.debian.org/debian unstable/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 87 http://deb.debian.org/debian unstable/main amd64 python3-more-itertools all 10.5.0-1 [63.8 kB] Get: 88 http://deb.debian.org/debian unstable/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 89 http://deb.debian.org/debian unstable/main amd64 python3-typeguard all 4.4.1-1 [37.0 kB] Get: 90 http://deb.debian.org/debian unstable/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 91 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 92 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 93 http://deb.debian.org/debian unstable/main amd64 python3-pkg-resources all 75.2.0-1 [213 kB] Get: 94 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 95 http://deb.debian.org/debian unstable/main amd64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 96 http://deb.debian.org/debian unstable/main amd64 python3-setuptools all 75.2.0-1 [731 kB] Get: 97 http://deb.debian.org/debian unstable/main amd64 dh-python all 6.20241024 [109 kB] Get: 98 http://deb.debian.org/debian unstable/main amd64 xml-core all 0.19 [20.1 kB] Get: 99 http://deb.debian.org/debian unstable/main amd64 docutils-common all 0.21.2+dfsg-2 [128 kB] Get: 100 http://deb.debian.org/debian unstable/main amd64 fontconfig amd64 2.15.0-1.1+b1 [463 kB] Get: 101 http://deb.debian.org/debian unstable/main amd64 fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [517 kB] Get: 102 http://deb.debian.org/debian unstable/main amd64 fonts-glyphicons-halflings all 1.009~3.4.1+dfsg-3 [162 kB] Get: 103 http://deb.debian.org/debian unstable/main amd64 fonts-lyx all 2.4.2.1-1 [190 kB] Get: 104 http://deb.debian.org/debian unstable/main amd64 fonts-mathjax all 2.7.9+dfsg-1 [2210 kB] Get: 105 http://deb.debian.org/debian unstable/main amd64 libnl-3-200 amd64 3.7.0-0.3+b1 [59.4 kB] Get: 106 http://deb.debian.org/debian unstable/main amd64 libnl-route-3-200 amd64 3.7.0-0.3+b1 [182 kB] Get: 107 http://deb.debian.org/debian unstable/main amd64 libibverbs1 amd64 52.0-2+b1 [62.2 kB] Get: 108 http://deb.debian.org/debian unstable/main amd64 ibverbs-providers amd64 52.0-2+b1 [343 kB] Get: 109 http://deb.debian.org/debian unstable/main amd64 libaec0 amd64 1.1.3-1+b1 [23.8 kB] Get: 110 http://deb.debian.org/debian unstable/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB] Get: 111 http://deb.debian.org/debian unstable/main amd64 libllvm17t64 amd64 1:17.0.6-18 [23.6 MB] Get: 112 http://deb.debian.org/debian unstable/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b2 [13.0 MB] Get: 113 http://deb.debian.org/debian unstable/main amd64 libdrm-common all 2.4.123-1 [8084 B] Get: 114 http://deb.debian.org/debian unstable/main amd64 libdrm2 amd64 2.4.123-1 [38.7 kB] Get: 115 http://deb.debian.org/debian unstable/main amd64 libdrm-amdgpu1 amd64 2.4.123-1 [22.3 kB] Get: 116 http://deb.debian.org/debian unstable/main amd64 libnuma1 amd64 2.0.18-1+b1 [22.3 kB] Get: 117 http://deb.debian.org/debian unstable/main amd64 libhsakmt1 amd64 6.1.2+ds-1 [59.8 kB] Get: 118 http://deb.debian.org/debian unstable/main amd64 libhsa-runtime64-1 amd64 6.1.2-2 [535 kB] Get: 119 http://deb.debian.org/debian unstable/main amd64 libamdhip64-5 amd64 5.7.1-5 [8877 kB] Get: 120 http://deb.debian.org/debian unstable/main amd64 libblas3 amd64 3.12.0-4 [152 kB] Get: 121 http://deb.debian.org/debian unstable/main amd64 libpixman-1-0 amd64 0.44.0-3 [248 kB] Get: 122 http://deb.debian.org/debian unstable/main amd64 libxcb-render0 amd64 1.17.0-2+b1 [115 kB] Get: 123 http://deb.debian.org/debian unstable/main amd64 libxcb-shm0 amd64 1.17.0-2+b1 [105 kB] Get: 124 http://deb.debian.org/debian unstable/main amd64 libcairo2 amd64 1.18.2-2 [535 kB] Get: 125 http://deb.debian.org/debian unstable/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-8 [19.6 kB] Get: 126 http://deb.debian.org/debian unstable/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-8 [57.3 kB] Get: 127 http://deb.debian.org/debian unstable/main amd64 libldap-2.5-0 amd64 2.5.18+dfsg-3+b1 [188 kB] Get: 128 http://deb.debian.org/debian unstable/main amd64 libnghttp2-14 amd64 1.64.0-1 [75.5 kB] Get: 129 http://deb.debian.org/debian unstable/main amd64 libnghttp3-9 amd64 1.6.0-2 [64.8 kB] Get: 130 http://deb.debian.org/debian unstable/main amd64 libngtcp2-16 amd64 1.9.1-1 [119 kB] Get: 131 http://deb.debian.org/debian unstable/main amd64 libngtcp2-crypto-gnutls8 amd64 1.9.1-1 [18.5 kB] Get: 132 http://deb.debian.org/debian unstable/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB] Get: 133 http://deb.debian.org/debian unstable/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB] Get: 134 http://deb.debian.org/debian unstable/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB] Get: 135 http://deb.debian.org/debian unstable/main amd64 libcurl3t64-gnutls amd64 8.11.1-1 [360 kB] Get: 136 http://deb.debian.org/debian unstable/main amd64 libcurl4t64 amd64 8.11.1-1 [351 kB] Get: 137 http://deb.debian.org/debian unstable/main amd64 libdbus-1-3 amd64 1.15.92-1 [177 kB] Get: 138 http://deb.debian.org/debian unstable/main amd64 libdeflate0 amd64 1.22-1 [47.3 kB] Get: 139 http://deb.debian.org/debian unstable/main amd64 libdouble-conversion3 amd64 3.3.0-1+b2 [41.8 kB] Get: 140 http://deb.debian.org/debian unstable/main amd64 libpciaccess0 amd64 0.17-3+b2 [51.9 kB] Get: 141 http://deb.debian.org/debian unstable/main amd64 libdrm-intel1 amd64 2.4.123-1 [63.7 kB] Get: 142 http://deb.debian.org/debian unstable/main amd64 libdrm-radeon1 amd64 2.4.123-1 [22.3 kB] Get: 143 http://deb.debian.org/debian unstable/main amd64 libwayland-server0 amd64 1.23.0-1+b1 [34.2 kB] Get: 144 http://deb.debian.org/debian unstable/main amd64 libxcb-randr0 amd64 1.17.0-2+b1 [117 kB] Get: 145 http://deb.debian.org/debian unstable/main amd64 libglapi-mesa amd64 24.2.8-1 [38.0 kB] Get: 146 http://deb.debian.org/debian unstable/main amd64 libllvm19 amd64 1:19.1.5-1 [26.0 MB] Get: 147 http://deb.debian.org/debian unstable/main amd64 libsensors-config all 1:3.6.0-10 [14.6 kB] Get: 148 http://deb.debian.org/debian unstable/main amd64 libsensors5 amd64 1:3.6.0-10+b1 [35.1 kB] Get: 149 http://deb.debian.org/debian unstable/main amd64 libx11-xcb1 amd64 2:1.8.10-2 [241 kB] Get: 150 http://deb.debian.org/debian unstable/main amd64 libxcb-dri2-0 amd64 1.17.0-2+b1 [107 kB] Get: 151 http://deb.debian.org/debian unstable/main amd64 libxcb-dri3-0 amd64 1.17.0-2+b1 [107 kB] Get: 152 http://deb.debian.org/debian unstable/main amd64 libxcb-present0 amd64 1.17.0-2+b1 [106 kB] Get: 153 http://deb.debian.org/debian unstable/main amd64 libxcb-sync1 amd64 1.17.0-2+b1 [109 kB] Get: 154 http://deb.debian.org/debian unstable/main amd64 libxcb-xfixes0 amd64 1.17.0-2+b1 [109 kB] Get: 155 http://deb.debian.org/debian unstable/main amd64 libxshmfence1 amd64 1.3-1+b2 [8848 B] Get: 156 http://deb.debian.org/debian unstable/main amd64 mesa-libgallium amd64 24.2.8-1 [9185 kB] Get: 157 http://deb.debian.org/debian unstable/main amd64 libgbm1 amd64 24.2.8-1 [42.8 kB] Get: 158 http://deb.debian.org/debian unstable/main amd64 libwayland-client0 amd64 1.23.0-1+b1 [26.6 kB] Get: 159 http://deb.debian.org/debian unstable/main amd64 libegl-mesa0 amd64 24.2.8-1 [133 kB] Get: 160 http://deb.debian.org/debian unstable/main amd64 libevdev2 amd64 1.13.3+dfsg-1 [32.2 kB] Get: 161 http://deb.debian.org/debian unstable/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10+b1 [132 kB] Get: 162 http://deb.debian.org/debian unstable/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10+b1 [54.3 kB] Get: 163 http://deb.debian.org/debian unstable/main amd64 libexpat1-dev amd64 2.6.4-1 [158 kB] Get: 164 http://deb.debian.org/debian unstable/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [170 kB] Get: 165 http://deb.debian.org/debian unstable/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get: 166 http://deb.debian.org/debian unstable/main amd64 librdmacm1t64 amd64 52.0-2+b1 [70.4 kB] Get: 167 http://deb.debian.org/debian unstable/main amd64 libfabric1 amd64 1.17.0-3.1 [631 kB] Get: 168 http://deb.debian.org/debian unstable/main amd64 libfribidi0 amd64 1.0.16-1 [26.5 kB] Get: 169 http://deb.debian.org/debian unstable/main amd64 libgfortran5 amd64 14.2.0-8 [836 kB] Get: 170 http://deb.debian.org/debian unstable/main amd64 libglvnd0 amd64 1.7.0-1+b2 [52.0 kB] Get: 171 http://deb.debian.org/debian unstable/main amd64 libxcb-glx0 amd64 1.17.0-2+b1 [122 kB] Get: 172 http://deb.debian.org/debian unstable/main amd64 libxfixes3 amd64 1:6.0.0-2+b2 [20.3 kB] Get: 173 http://deb.debian.org/debian unstable/main amd64 libxxf86vm1 amd64 1:1.1.4-1+b3 [19.3 kB] Get: 174 http://deb.debian.org/debian unstable/main amd64 libvulkan1 amd64 1.3.296.0-1 [126 kB] Get: 175 http://deb.debian.org/debian unstable/main amd64 libgl1-mesa-dri amd64 24.2.8-1 [43.9 kB] Get: 176 http://deb.debian.org/debian unstable/main amd64 libglx-mesa0 amd64 24.2.8-1 [154 kB] Get: 177 http://deb.debian.org/debian unstable/main amd64 libglx0 amd64 1.7.0-1+b2 [34.9 kB] Get: 178 http://deb.debian.org/debian unstable/main amd64 libgl1 amd64 1.7.0-1+b2 [89.5 kB] Get: 179 http://deb.debian.org/debian unstable/main amd64 libgl2ps1.4 amd64 1.4.2+dfsg1-2 [41.3 kB] Get: 180 http://deb.debian.org/debian unstable/main amd64 libglew2.2 amd64 2.2.0-4+b2 [168 kB] Get: 181 http://deb.debian.org/debian unstable/main amd64 libglib2.0-0t64 amd64 2.82.4-1 [1501 kB] Get: 182 http://deb.debian.org/debian unstable/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB] Get: 183 http://deb.debian.org/debian unstable/main amd64 libgudev-1.0-0 amd64 238-5+b1 [14.8 kB] Get: 184 http://deb.debian.org/debian unstable/main amd64 libharfbuzz0b amd64 10.1.0-1 [478 kB] Get: 185 http://deb.debian.org/debian unstable/main amd64 libsz2 amd64 1.1.3-1+b1 [8080 B] Get: 186 http://deb.debian.org/debian unstable/main amd64 libhdf5-310 amd64 1.14.5+repack-1 [1340 kB] Get: 187 http://deb.debian.org/debian unstable/main amd64 libhdf5-hl-310 amd64 1.14.5+repack-1 [69.0 kB] Get: 188 http://deb.debian.org/debian unstable/main amd64 libxnvctrl0 amd64 535.171.04-1+b1 [14.2 kB] Get: 189 http://deb.debian.org/debian unstable/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b2 [40.2 kB] Get: 190 http://deb.debian.org/debian unstable/main amd64 libhwloc15 amd64 2.11.2-1 [164 kB] Get: 191 http://deb.debian.org/debian unstable/main amd64 libhwloc-plugins amd64 2.11.2-1 [18.1 kB] Get: 192 http://deb.debian.org/debian unstable/main amd64 libibumad3 amd64 52.0-2+b1 [28.2 kB] Get: 193 http://deb.debian.org/debian unstable/main amd64 libibmad5 amd64 52.0-2+b1 [43.4 kB] Get: 194 http://deb.debian.org/debian unstable/main amd64 libice6 amd64 2:1.1.1-1 [65.4 kB] Get: 195 http://deb.debian.org/debian unstable/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB] Get: 196 http://deb.debian.org/debian unstable/main amd64 libinchi1.07 amd64 1.07.1+dfsg-6 [557 kB] Get: 197 http://deb.debian.org/debian unstable/main amd64 libwacom-common all 2.13.0-1 [98.0 kB] Get: 198 http://deb.debian.org/debian unstable/main amd64 libwacom9 amd64 2.13.0-1 [24.0 kB] Get: 199 http://deb.debian.org/debian unstable/main amd64 libinput-bin amd64 1.26.2-1 [25.3 kB] Get: 200 http://deb.debian.org/debian unstable/main amd64 libmtdev1t64 amd64 1.1.6-1.2+b1 [22.5 kB] Get: 201 http://deb.debian.org/debian unstable/main amd64 libinput10 amd64 1.26.2-1 [131 kB] Get: 202 http://deb.debian.org/debian unstable/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB] Get: 203 http://deb.debian.org/debian unstable/main amd64 libjpeg62-turbo amd64 1:2.1.5-3+b1 [168 kB] Get: 204 http://deb.debian.org/debian unstable/main amd64 libjs-bootstrap all 3.4.1+dfsg-3 [172 kB] Get: 205 http://deb.debian.org/debian unstable/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 206 http://deb.debian.org/debian unstable/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 207 http://deb.debian.org/debian unstable/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5667 kB] Get: 208 http://deb.debian.org/debian unstable/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 209 http://deb.debian.org/debian unstable/main amd64 libjs-sphinxdoc all 8.1.3-2 [30.3 kB] Get: 210 http://deb.debian.org/debian unstable/main amd64 libjson-perl all 4.10000-1 [87.5 kB] Get: 211 http://deb.debian.org/debian unstable/main amd64 libjsoncpp26 amd64 1.9.6-3 [81.7 kB] Get: 212 http://deb.debian.org/debian unstable/main amd64 liblapack3 amd64 3.12.0-4 [2450 kB] Get: 213 http://deb.debian.org/debian unstable/main amd64 liblbfgsb0 amd64 3.0+dfsg.4-1+b2 [29.4 kB] Get: 214 http://deb.debian.org/debian unstable/main amd64 liblcms2-2 amd64 2.16-2 [160 kB] Get: 215 http://deb.debian.org/debian unstable/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB] Get: 216 http://deb.debian.org/debian unstable/main amd64 liblzf1 amd64 3.6-4+b2 [10.1 kB] Get: 217 http://deb.debian.org/debian unstable/main amd64 libmaeparser1 amd64 1.3.1-1+b2 [94.0 kB] Get: 218 http://deb.debian.org/debian unstable/main amd64 libmd4c0 amd64 0.5.2-2+b1 [49.0 kB] Get: 219 http://deb.debian.org/debian unstable/main amd64 libmunge2 amd64 0.5.15-4+b1 [20.0 kB] Get: 220 http://deb.debian.org/debian unstable/main amd64 libnetcdf19t64 amd64 1:4.9.2-7+b1 [477 kB] Get: 221 http://deb.debian.org/debian unstable/main amd64 libogg0 amd64 1.3.5-3+b2 [23.8 kB] Get: 222 http://deb.debian.org/debian unstable/main amd64 libopenbabel7 amd64 3.1.1+dfsg-11+b1 [3251 kB] Get: 223 http://deb.debian.org/debian unstable/main amd64 libopenjp2-7 amd64 2.5.0-2+b4 [199 kB] Get: 224 http://deb.debian.org/debian unstable/main amd64 libpmix2t64 amd64 5.0.4-1 [661 kB] Get: 225 http://deb.debian.org/debian unstable/main amd64 libucx0 amd64 1.17.0+ds-3 [1130 kB] Get: 226 http://deb.debian.org/debian unstable/main amd64 libopenmpi40 amd64 5.0.6-3 [2360 kB] Get: 227 http://deb.debian.org/debian unstable/main amd64 libpcre2-16-0 amd64 10.44-5 [260 kB] Get: 228 http://deb.debian.org/debian unstable/main amd64 proj-data all 9.5.1-1 [6284 kB] Get: 229 http://deb.debian.org/debian unstable/main amd64 libsharpyuv0 amd64 1.4.0-0.1+b1 [113 kB] Get: 230 http://deb.debian.org/debian unstable/main amd64 libwebp7 amd64 1.4.0-0.1+b1 [313 kB] Get: 231 http://deb.debian.org/debian unstable/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB] Get: 232 http://deb.debian.org/debian unstable/main amd64 libproj25 amd64 9.5.1-1 [1420 kB] Get: 233 http://deb.debian.org/debian unstable/main amd64 libpython3.12t64 amd64 3.12.8-3 [2154 kB] Get: 234 http://deb.debian.org/debian unstable/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB] Get: 235 http://deb.debian.org/debian unstable/main amd64 libpython3.12-dev amd64 3.12.8-3 [5134 kB] Get: 236 http://deb.debian.org/debian unstable/main amd64 libpython3-dev amd64 3.12.7-1 [9976 B] Get: 237 http://deb.debian.org/debian unstable/main amd64 libpython3.13-stdlib amd64 3.13.1-2 [1975 kB] Get: 238 http://deb.debian.org/debian unstable/main amd64 libpython3.13 amd64 3.13.1-2 [2151 kB] Get: 239 http://deb.debian.org/debian unstable/main amd64 libpython3.13-dev amd64 3.13.1-2 [5009 kB] Get: 240 http://deb.debian.org/debian unstable/main amd64 libpython3-all-dev amd64 3.12.7-1 [1072 B] Get: 241 http://deb.debian.org/debian unstable/main amd64 libqhull-r8.0 amd64 2020.2-6+b2 [248 kB] Get: 242 http://deb.debian.org/debian unstable/main amd64 shared-mime-info amd64 2.4-5+b1 [759 kB] Get: 243 http://deb.debian.org/debian unstable/main amd64 libqt5core5t64 amd64 5.15.15+dfsg-2 [1866 kB] Get: 244 http://deb.debian.org/debian unstable/main amd64 libqt5dbus5t64 amd64 5.15.15+dfsg-2 [217 kB] Get: 245 http://deb.debian.org/debian unstable/main amd64 libegl1 amd64 1.7.0-1+b2 [34.6 kB] Get: 246 http://deb.debian.org/debian unstable/main amd64 libqt5network5t64 amd64 5.15.15+dfsg-2 [682 kB] Get: 247 http://deb.debian.org/debian unstable/main amd64 libsm6 amd64 2:1.2.4-1 [35.2 kB] Get: 248 http://deb.debian.org/debian unstable/main amd64 libxcb-icccm4 amd64 0.4.2-1 [27.5 kB] Get: 249 http://deb.debian.org/debian unstable/main amd64 libxcb-util1 amd64 0.4.0-1+b2 [22.5 kB] Get: 250 http://deb.debian.org/debian unstable/main amd64 libxcb-image0 amd64 0.4.0-2+b2 [22.2 kB] Get: 251 http://deb.debian.org/debian unstable/main amd64 libxcb-keysyms1 amd64 0.4.0-1+b3 [15.7 kB] Get: 252 http://deb.debian.org/debian unstable/main amd64 libxcb-render-util0 amd64 0.3.9-1+b2 [17.4 kB] Get: 253 http://deb.debian.org/debian unstable/main amd64 libxcb-shape0 amd64 1.17.0-2+b1 [106 kB] Get: 254 http://deb.debian.org/debian unstable/main amd64 libxcb-xinerama0 amd64 1.17.0-2+b1 [105 kB] Get: 255 http://deb.debian.org/debian unstable/main amd64 libxcb-xinput0 amd64 1.17.0-2+b1 [130 kB] Get: 256 http://deb.debian.org/debian unstable/main amd64 libxcb-xkb1 amd64 1.17.0-2+b1 [130 kB] Get: 257 http://deb.debian.org/debian unstable/main amd64 xkb-data all 2.42-1 [790 kB] Get: 258 http://deb.debian.org/debian unstable/main amd64 libxkbcommon0 amd64 1.7.0-1 [113 kB] Get: 259 http://deb.debian.org/debian unstable/main amd64 libxkbcommon-x11-0 amd64 1.7.0-1 [16.1 kB] Get: 260 http://deb.debian.org/debian unstable/main amd64 libqt5gui5t64 amd64 5.15.15+dfsg-2 [3498 kB] Get: 261 http://deb.debian.org/debian unstable/main amd64 libqt5widgets5t64 amd64 5.15.15+dfsg-2 [2400 kB] Get: 262 http://deb.debian.org/debian unstable/main amd64 libraqm0 amd64 0.10.2-1 [13.9 kB] Get: 263 http://deb.debian.org/debian unstable/main amd64 libsymspg2 amd64 2.5.0-1+b1 [197 kB] Get: 264 http://deb.debian.org/debian unstable/main amd64 libtbbmalloc2 amd64 2021.12.0-1 [48.9 kB] Get: 265 http://deb.debian.org/debian unstable/main amd64 libtbbbind-2-5 amd64 2021.12.0-1 [14.4 kB] Get: 266 http://deb.debian.org/debian unstable/main amd64 libtbb12 amd64 2021.12.0-1 [87.8 kB] Get: 267 http://deb.debian.org/debian unstable/main amd64 libtheora0 amd64 1.1.1+dfsg.1-17 [155 kB] Get: 268 http://deb.debian.org/debian unstable/main amd64 libopengl0 amd64 1.7.0-1+b2 [30.9 kB] Get: 269 http://deb.debian.org/debian unstable/main amd64 libvtk9.3 amd64 9.3.0+dfsg1-1.1+b2 [23.2 MB] Get: 270 http://deb.debian.org/debian unstable/main amd64 libvtk9.3-qt amd64 9.3.0+dfsg1-1.1+b2 [173 kB] Get: 271 http://deb.debian.org/debian unstable/main amd64 libwebpdemux2 amd64 1.4.0-0.1+b1 [111 kB] Get: 272 http://deb.debian.org/debian unstable/main amd64 libwebpmux3 amd64 1.4.0-0.1+b1 [123 kB] Get: 273 http://deb.debian.org/debian unstable/main amd64 libxslt1.1 amd64 1.1.35-1.1+b1 [233 kB] Get: 274 http://deb.debian.org/debian unstable/main amd64 libyaml-0-2 amd64 0.2.5-1+b2 [52.7 kB] Get: 275 http://deb.debian.org/debian unstable/main amd64 openmpi-common all 5.0.6-3 [97.0 kB] Get: 276 http://deb.debian.org/debian unstable/main amd64 openmpi-bin amd64 5.0.6-3 [188 kB] Get: 277 http://deb.debian.org/debian unstable/main amd64 mpi-default-bin amd64 1.17 [2372 B] Get: 278 http://deb.debian.org/debian unstable/main amd64 packmol amd64 1:20.14.3-1 [115 kB] Get: 279 http://deb.debian.org/debian unstable/main amd64 python3-packaging all 24.2-1 [55.3 kB] Get: 280 http://deb.debian.org/debian unstable/main amd64 python3-pyproject-hooks all 1.2.0-1 [11.7 kB] Get: 281 http://deb.debian.org/debian unstable/main amd64 python3-toml all 0.10.2-1 [16.2 kB] Get: 282 http://deb.debian.org/debian unstable/main amd64 python3-wheel all 0.45.1-1 [56.7 kB] Get: 283 http://deb.debian.org/debian unstable/main amd64 python3-build all 1.2.2-1 [36.0 kB] Get: 284 http://deb.debian.org/debian unstable/main amd64 python3-installer all 0.7.0+dfsg1-3 [18.6 kB] Get: 285 http://deb.debian.org/debian unstable/main amd64 pybuild-plugin-pyproject all 6.20241024 [11.4 kB] Get: 286 http://deb.debian.org/debian unstable/main amd64 pymatgen-test-files all 2024.10.29-1 [209 MB] Get: 287 http://deb.debian.org/debian unstable/main amd64 python-babel-localedata all 2.16.0-1 [5696 kB] Get: 288 http://deb.debian.org/debian unstable/main amd64 python-matplotlib-data all 3.8.3-3 [2731 kB] Get: 289 http://deb.debian.org/debian unstable/main amd64 python3-alabaster all 0.7.16-0.1 [27.9 kB] Get: 290 http://deb.debian.org/debian unstable/main amd64 python3.13 amd64 3.13.1-2 [740 kB] Get: 291 http://deb.debian.org/debian unstable/main amd64 python3-all amd64 3.12.7-1 [1052 B] Get: 292 http://deb.debian.org/debian unstable/main amd64 python3.12-dev amd64 3.12.8-3 [505 kB] Get: 293 http://deb.debian.org/debian unstable/main amd64 python3-dev amd64 3.12.7-1 [26.1 kB] Get: 294 http://deb.debian.org/debian unstable/main amd64 python3.13-dev amd64 3.13.1-2 [504 kB] Get: 295 http://deb.debian.org/debian unstable/main amd64 python3-all-dev amd64 3.12.7-1 [1076 B] Get: 296 http://deb.debian.org/debian unstable/main amd64 python3-annotated-types all 0.7.0-1 [18.8 kB] Get: 297 http://deb.debian.org/debian unstable/main amd64 python3-appdirs all 1.4.4-4 [12.5 kB] Get: 298 http://deb.debian.org/debian unstable/main amd64 python3-numpy amd64 1:1.26.4+ds-12 [4738 kB] Get: 299 http://deb.debian.org/debian unstable/main amd64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 300 http://deb.debian.org/debian unstable/main amd64 python3-scipy amd64 1.14.1-3 [20.5 MB] Get: 301 http://deb.debian.org/debian unstable/main amd64 python3-spglib amd64 2.5.0-1+b1 [52.7 kB] Get: 302 http://deb.debian.org/debian unstable/main amd64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 303 http://deb.debian.org/debian unstable/main amd64 python3-pil amd64 10.4.0-1+b1 [522 kB] Get: 304 http://deb.debian.org/debian unstable/main amd64 python3.12-tk amd64 3.12.8-3 [113 kB] Get: 305 http://deb.debian.org/debian unstable/main amd64 python3.13-tk amd64 3.13.1-2 [103 kB] Get: 306 http://deb.debian.org/debian unstable/main amd64 python3-tk amd64 3.12.7-1 [9444 B] Get: 307 http://deb.debian.org/debian unstable/main amd64 python3-pil.imagetk amd64 10.4.0-1+b1 [79.8 kB] Get: 308 http://deb.debian.org/debian unstable/main amd64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 309 http://deb.debian.org/debian unstable/main amd64 python3-contourpy amd64 1.3.1-1 [264 kB] Get: 310 http://deb.debian.org/debian unstable/main amd64 python3-cycler all 0.12.1-1 [9496 B] Get: 311 http://deb.debian.org/debian unstable/main amd64 python3-brotli amd64 1.1.0-2+b6 [321 kB] Get: 312 http://deb.debian.org/debian unstable/main amd64 python3-tz all 2024.1-2 [30.9 kB] Get: 313 http://deb.debian.org/debian unstable/main amd64 python3-fs all 2.4.16-5 [95.1 kB] Get: 314 http://deb.debian.org/debian unstable/main amd64 python3-lxml amd64 5.3.0-1+b1 [1676 kB] Get: 315 http://deb.debian.org/debian unstable/main amd64 python3-lz4 amd64 4.4.0+dfsg-1 [25.5 kB] Get: 316 http://deb.debian.org/debian unstable/main amd64 python3-mpmath all 1.3.0-1 [419 kB] Get: 317 http://deb.debian.org/debian unstable/main amd64 python3-sympy all 1.13.3-1 [4147 kB] Get: 318 http://deb.debian.org/debian unstable/main amd64 python3-attr all 24.2.0-1 [68.4 kB] Get: 319 http://deb.debian.org/debian unstable/main amd64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB] Get: 320 http://deb.debian.org/debian unstable/main amd64 unicode-data all 15.1.0-1 [8547 kB] Get: 321 http://deb.debian.org/debian unstable/main amd64 python3-fonttools amd64 4.55.0-3 [1634 kB] Get: 322 http://deb.debian.org/debian unstable/main amd64 python3-kiwisolver amd64 1.4.7-2+b1 [77.0 kB] Get: 323 http://deb.debian.org/debian unstable/main amd64 python3-matplotlib amd64 3.8.3-3+b1 [5654 kB] Get: 324 http://deb.debian.org/debian unstable/main amd64 python3-ase all 3.23.0-1 [1698 kB] Get: 325 http://deb.debian.org/debian unstable/main amd64 python3-babel all 2.16.0-1 [114 kB] Get: 326 http://deb.debian.org/debian unstable/main amd64 python3-soupsieve all 2.6-1 [38.3 kB] Get: 327 http://deb.debian.org/debian unstable/main amd64 python3-bs4 all 4.12.3-3 [133 kB] Get: 328 http://deb.debian.org/debian unstable/main amd64 python3-bson all 4.10.1-4 [87.1 kB] Get: 329 http://deb.debian.org/debian unstable/main amd64 python3-certifi all 2024.8.30+dfsg-1 [9576 B] Get: 330 http://deb.debian.org/debian unstable/main amd64 python3-cftime amd64 1.6.4-1+b2 [321 kB] Get: 331 http://deb.debian.org/debian unstable/main amd64 python3-chardet all 5.2.0+dfsg-1 [107 kB] Get: 332 http://deb.debian.org/debian unstable/main amd64 python3-charset-normalizer amd64 3.4.0-1+b1 [140 kB] Get: 333 http://deb.debian.org/debian unstable/main amd64 python3-defusedxml all 0.7.1-3 [43.4 kB] Get: 334 http://deb.debian.org/debian unstable/main amd64 python3-dnspython all 2.7.0-1 [164 kB] Get: 335 http://deb.debian.org/debian unstable/main amd64 python3-roman all 4.2-1 [10.4 kB] Get: 336 http://deb.debian.org/debian unstable/main amd64 python3-docutils all 0.21.2+dfsg-2 [403 kB] Get: 337 http://deb.debian.org/debian unstable/main amd64 python3-dotenv all 1.0.1-1 [26.6 kB] Get: 338 http://deb.debian.org/debian unstable/main amd64 python3-idna all 3.8-2 [41.6 kB] Get: 339 http://deb.debian.org/debian unstable/main amd64 python3-email-validator all 2.2.0-1 [31.6 kB] Get: 340 http://deb.debian.org/debian unstable/main amd64 python3-pandas-lib amd64 2.2.3+dfsg-5+b1 [7307 kB] Get: 341 http://deb.debian.org/debian unstable/main amd64 python3-pandas all 2.2.3+dfsg-5 [3096 kB] Get: 342 http://deb.debian.org/debian unstable/main amd64 python3-pydantic-core amd64 2.27.1-1 [1737 kB] Get: 343 http://deb.debian.org/debian unstable/main amd64 python3-pydantic amd64 2.10.3-1 [365 kB] Get: 344 http://deb.debian.org/debian unstable/main amd64 python3-tqdm all 4.67.1-1 [91.0 kB] Get: 345 http://deb.debian.org/debian unstable/main amd64 python3-ruamel.yaml.clib amd64 0.2.8+ds-2+b1 [179 kB] Get: 346 http://deb.debian.org/debian unstable/main amd64 python3-ruamel.yaml all 0.18.6+ds-3 [145 kB] Get: 347 http://deb.debian.org/debian unstable/main amd64 python3-monty all 2024.10.21-1 [43.4 kB] Get: 348 http://deb.debian.org/debian unstable/main amd64 python3-latexcodec all 3.0.0-1 [17.5 kB] Get: 349 http://deb.debian.org/debian unstable/main amd64 python3-six all 1.17.0-1 [16.5 kB] Get: 350 http://deb.debian.org/debian unstable/main amd64 python3-yaml amd64 6.0.2-1+b1 [178 kB] Get: 351 http://deb.debian.org/debian unstable/main amd64 python3-pybtex all 0.24.0-4 [74.6 kB] Get: 352 http://deb.debian.org/debian unstable/main amd64 python3-pydantic-settings all 2.7.0-1 [42.2 kB] Get: 353 http://deb.debian.org/debian unstable/main amd64 python3-joblib all 1.3.2-5 [216 kB] Get: 354 http://deb.debian.org/debian unstable/main amd64 python3-networkx all 3.2.1-5 [13.0 MB] Get: 355 http://deb.debian.org/debian unstable/main amd64 python3-palettable all 3.3.3-1 [69.7 kB] Get: 356 http://deb.debian.org/debian unstable/main amd64 python3-urllib3 all 2.2.3-4 [112 kB] Get: 357 http://deb.debian.org/debian unstable/main amd64 python3-requests all 2.32.3+dfsg-1 [71.9 kB] Get: 358 http://deb.debian.org/debian unstable/main amd64 python3-fastjsonschema all 2.20.0-1 [21.8 kB] Get: 359 http://deb.debian.org/debian unstable/main amd64 python3-rpds-py amd64 0.21.0-2 [287 kB] Get: 360 http://deb.debian.org/debian unstable/main amd64 python3-referencing all 0.35.1-2 [23.5 kB] Get: 361 http://deb.debian.org/debian unstable/main amd64 python3-jsonschema-specifications all 2023.12.1-2 [9020 B] Get: 362 http://deb.debian.org/debian unstable/main amd64 python3-jsonschema all 4.19.2-5 [71.4 kB] Get: 363 http://deb.debian.org/debian unstable/main amd64 python3-platformdirs all 4.3.6-1 [16.6 kB] Get: 364 http://deb.debian.org/debian unstable/main amd64 python3-traitlets all 5.14.3+really5.14.3-1 [70.9 kB] Get: 365 http://deb.debian.org/debian unstable/main amd64 python3-jupyter-core all 5.7.2-4 [35.1 kB] Get: 366 http://deb.debian.org/debian unstable/main amd64 python3-nbformat all 5.9.1-1 [45.1 kB] Get: 367 http://deb.debian.org/debian unstable/main amd64 python3-tenacity all 8.4.2+really8.4.1-1 [46.0 kB] Get: 368 http://deb.debian.org/debian unstable/main amd64 python3-plotly all 5.20.0+dfsg-1 [2726 kB] Get: 369 http://deb.debian.org/debian unstable/main amd64 python3-tabulate all 0.9.0-1 [45.9 kB] Get: 370 http://deb.debian.org/debian unstable/main amd64 python3-uncertainties all 3.2.2-1 [54.7 kB] Get: 371 http://deb.debian.org/debian unstable/main amd64 python3-pymatgen amd64 2024.10.29+dfsg1-4 [2599 kB] Get: 372 http://deb.debian.org/debian unstable/main amd64 python3-openbabel amd64 3.1.1+dfsg-11+b1 [570 kB] Get: 373 http://deb.debian.org/debian unstable/main amd64 python3-emmet-core all 0.76.2-1 [122 kB] Get: 374 http://deb.debian.org/debian unstable/main amd64 python3-frozendict all 1.2-3 [4888 B] Get: 375 http://deb.debian.org/debian unstable/main amd64 python3-h5py-serial amd64 3.12.1-1+b1 [1473 kB] Get: 376 http://deb.debian.org/debian unstable/main amd64 python3-h5py all 3.12.1-1 [15.0 kB] Get: 377 http://deb.debian.org/debian unstable/main amd64 python3-imagesize all 1.4.1-1 [6688 B] Get: 378 http://deb.debian.org/debian unstable/main amd64 python3-iniconfig all 1.1.1-2 [6396 B] Get: 379 http://deb.debian.org/debian unstable/main amd64 python3-markupsafe amd64 2.1.5-1+b2 [13.9 kB] Get: 380 http://deb.debian.org/debian unstable/main amd64 python3-jinja2 all 3.1.3-1.1 [120 kB] Get: 381 http://deb.debian.org/debian unstable/main amd64 python3-mpi4py amd64 4.0.1-6+b1 [1000 kB] Get: 382 http://deb.debian.org/debian unstable/main amd64 python3-netcdf4 amd64 1.7.2-1+b1 [900 kB] Get: 383 http://deb.debian.org/debian unstable/main amd64 python3-phonopy amd64 2.23.1-1+b3 [272 kB] Get: 384 http://deb.debian.org/debian unstable/main amd64 python3-pluggy all 1.5.0-1 [26.9 kB] Get: 385 http://deb.debian.org/debian unstable/main amd64 python3-pygments all 2.18.0+dfsg-1 [836 kB] Get: 386 http://deb.debian.org/debian unstable/main amd64 python3-pytest all 8.3.4-1 [250 kB] Get: 387 http://deb.debian.org/debian unstable/main amd64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 388 http://deb.debian.org/debian unstable/main amd64 sphinx-common all 8.1.3-2 [616 kB] Get: 389 http://deb.debian.org/debian unstable/main amd64 python3-sphinx all 8.1.3-2 [468 kB] Get: 390 http://deb.debian.org/debian unstable/main amd64 sphinx-rtd-theme-common all 3.0.2+dfsg-1 [1023 kB] Get: 391 http://deb.debian.org/debian unstable/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get: 392 http://deb.debian.org/debian unstable/main amd64 python3-sphinx-rtd-theme all 3.0.2+dfsg-1 [29.5 kB] Get: 393 http://deb.debian.org/debian unstable/main amd64 python3-vtk9 amd64 9.3.0+dfsg1-1.1+b2 [7224 kB] Fetched 556 MB in 24s (23.0 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package fonts-lato. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19965 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 libpython3.12-minimal:amd64. Preparing to unpack .../libpython3.12-minimal_3.12.8-3_amd64.deb ... Unpacking libpython3.12-minimal:amd64 (3.12.8-3) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.4-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.4-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.8-3_amd64.deb ... Unpacking python3.12-minimal (3.12.8-3) ... Setting up libpython3.12-minimal:amd64 (3.12.8-3) ... Setting up libexpat1:amd64 (2.6.4-1) ... Setting up python3.12-minimal (3.12.8-3) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20311 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.7-1_amd64.deb ... Unpacking python3-minimal (3.12.7-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024b-4_all.deb ... Unpacking tzdata (2024b-4) ... Selecting previously unselected package libkrb5support0:amd64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_amd64.deb ... Unpacking libkrb5support0:amd64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:amd64. Preparing to unpack .../05-libcom-err2_1.47.2~rc1-2_amd64.deb ... Unpacking libcom-err2:amd64 (1.47.2~rc1-2) ... Selecting previously unselected package libk5crypto3:amd64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_amd64.deb ... Unpacking libk5crypto3:amd64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:amd64. Preparing to unpack .../07-libkeyutils1_1.6.3-4_amd64.deb ... Unpacking libkeyutils1:amd64 (1.6.3-4) ... Selecting previously unselected package libkrb5-3:amd64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_amd64.deb ... Unpacking libkrb5-3:amd64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:amd64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_amd64.deb ... Unpacking libgssapi-krb5-2:amd64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:amd64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3+b1_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3 to /lib/x86_64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3.0.0 to /lib/x86_64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:amd64 (1.3.4+ds-1.3+b1) ... Selecting previously unselected package libnsl2:amd64. Preparing to unpack .../12-libnsl2_1.3.0-3+b3_amd64.deb ... Unpacking libnsl2:amd64 (1.3.0-3+b3) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-6_all.deb ... Unpacking readline-common (8.2-6) ... Selecting previously unselected package libreadline8t64:amd64. Preparing to unpack .../14-libreadline8t64_8.2-6_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-6) ... Selecting previously unselected package libpython3.12-stdlib:amd64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.8-3_amd64.deb ... Unpacking libpython3.12-stdlib:amd64 (3.12.8-3) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.8-3_amd64.deb ... Unpacking python3.12 (3.12.8-3) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../17-libpython3-stdlib_3.12.7-1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.12.7-1) ... Setting up python3-minimal (3.12.7-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21374 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.7-1_amd64.deb ... Unpacking python3 (3.12.7-1) ... Selecting previously unselected package libpython3.13-minimal:amd64. Preparing to unpack .../001-libpython3.13-minimal_3.13.1-2_amd64.deb ... Unpacking libpython3.13-minimal:amd64 (3.13.1-2) ... Selecting previously unselected package python3.13-minimal. Preparing to unpack .../002-python3.13-minimal_3.13.1-2_amd64.deb ... Unpacking python3.13-minimal (3.13.1-2) ... Selecting previously unselected package sgml-base. Preparing to unpack .../003-sgml-base_1.31_all.deb ... Unpacking sgml-base (1.31) ... Selecting previously unselected package libproc2-0:amd64. Preparing to unpack .../004-libproc2-0_2%3a4.0.4-6_amd64.deb ... Unpacking libproc2-0:amd64 (2:4.0.4-6) ... Selecting previously unselected package procps. Preparing to unpack .../005-procps_2%3a4.0.4-6_amd64.deb ... Unpacking procps (2:4.0.4-6) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../006-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package openssl. Preparing to unpack .../007-openssl_3.3.2-2_amd64.deb ... Unpacking openssl (3.3.2-2) ... Selecting previously unselected package ca-certificates. Preparing to unpack .../008-ca-certificates_20240203_all.deb ... 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Setting up libelf1t64:amd64 (0.192-4) ... Setting up python-babel-localedata (2.16.0-1) ... Setting up libxcb-util1:amd64 (0.4.0-1+b2) ... Setting up libxcb-xkb1:amd64 (1.17.0-2+b1) ... Setting up libxcb-image0:amd64 (0.4.0-2+b2) ... Setting up libkrb5support0:amd64 (1.21.3-3) ... Setting up libmaeparser1:amd64 (1.3.1-1+b2) ... Setting up libsasl2-modules-db:amd64 (2.1.28+dfsg1-8) ... Setting up tzdata (2024b-4) ... Current default time zone: 'Etc/UTC' Local time is now: Sat Jan 17 23:49:01 UTC 2026. Universal Time is now: Sat Jan 17 23:49:01 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libxcb-present0:amd64 (1.17.0-2+b1) ... Setting up unicode-data (15.1.0-1) ... Setting up libsymspg2:amd64 (2.5.0-1+b1) ... Setting up libpython3.13-minimal:amd64 (3.13.1-2) ... Setting up autotools-dev (20220109.1) ... Setting up libz3-4:amd64 (4.13.3-1) ... Setting up libglib2.0-0t64:amd64 (2.82.4-1) ... No schema files found: doing nothing. Setting up libblas3:amd64 (3.12.0-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode Setting up libxcb-xinerama0:amd64 (1.17.0-2+b1) ... Setting up libmunge2:amd64 (0.5.15-4+b1) ... Setting up libexpat1-dev:amd64 (2.6.4-1) ... Setting up libjpeg62-turbo:amd64 (1:2.1.5-3+b1) ... Setting up libx11-data (2:1.8.10-2) ... Setting up libxcb-sync1:amd64 (1.17.0-2+b1) ... Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libjsoncpp26:amd64 (1.9.6-3) ... Setting up libdbus-1-3:amd64 (1.15.92-1) ... Setting up liblzf1:amd64 (3.6-4+b2) ... Setting up libfribidi0:amd64 (1.0.16-1) ... Setting up libimagequant0:amd64 (2.18.0-1+b2) ... Setting up libproc2-0:amd64 (2:4.0.4-6) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libpng16-16t64:amd64 (1.6.44-3) ... Setting up libhwloc15:amd64 (2.11.2-1) ... Setting up libtcl8.6:amd64 (8.6.15+dfsg-2) ... Setting up autopoint (0.22.5-2) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up libsensors5:amd64 (1:3.6.0-10+b1) ... Setting up libk5crypto3:amd64 (1.21.3-3) ... Setting up libglapi-mesa:amd64 (24.2.8-1) ... Setting up libsasl2-2:amd64 (2.1.28+dfsg1-8) ... Setting up libgfortran5:amd64 (14.2.0-8) ... Setting up libvulkan1:amd64 (1.3.296.0-1) ... Setting up autoconf (2.72-3) ... Setting up libnghttp3-9:amd64 (1.6.0-2) ... Setting up libwebp7:amd64 (1.4.0-0.1+b1) ... Setting up libxcb-dri2-0:amd64 (1.17.0-2+b1) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libnuma1:amd64 (2.0.18-1+b1) ... Setting up dwz (0.15-1+b1) ... Setting up libmtdev1t64:amd64 (1.1.6-1.2+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:amd64 (2.3.2-1+b2) ... Setting up libxshmfence1:amd64 (1.3-1+b2) ... Setting up libtiff6:amd64 (4.5.1+git230720-5) ... Setting up libxcb-randr0:amd64 (1.17.0-2+b1) ... Setting up libuchardet0:amd64 (0.0.8-1+b2) ... 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Setting up python-matplotlib-data (3.8.3-3) ... Setting up openssl (3.3.2-2) ... Setting up libwebpmux3:amd64 (1.4.0-0.1+b1) ... Setting up libinchi1.07 (1.07.1+dfsg-6) ... Setting up libdrm-common (2.4.123-1) ... Setting up libevdev2:amd64 (1.13.3+dfsg-1) ... Setting up readline-common (8.2-6) ... Setting up libxml2:amd64 (2.12.7+dfsg+really2.9.14-0.2+b1) ... Setting up pymatgen-test-files (2024.10.29-1) ... Setting up fonts-font-awesome (5.0.10+really4.7.0~dfsg-4.1) ... Setting up sphinx-rtd-theme-common (3.0.2+dfsg-1) ... Setting up libgudev-1.0-0:amd64 (238-5+b1) ... Setting up libngtcp2-crypto-gnutls8:amd64 (1.9.1-1) ... Setting up libsz2:amd64 (1.1.3-1+b1) ... Setting up libjs-bootstrap (3.4.1+dfsg-3) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up libwacom-common (2.13.0-1) ... Setting up libxkbcommon0:amd64 (1.7.0-1) ... Setting up libwayland-client0:amd64 (1.23.0-1+b1) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up libxcb-dri3-0:amd64 (1.17.0-2+b1) ... Setting up libllvm19:amd64 (1:19.1.5-1) ... Setting up libx11-xcb1:amd64 (2:1.8.10-2) ... Setting up libice6:amd64 (2:1.1.1-1) ... Setting up liblapack3:amd64 (3.12.0-4) ... 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 (0.22.5-2) ... Setting up libxrender1:amd64 (1:0.9.10-1.1+b2) ... Setting up libtool (2.4.7-8) ... Setting up libwacom9:amd64 (2.13.0-1) ... Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up fontconfig-config (2.15.0-1.1+b1) ... Setting up libwebpdemux2:amd64 (1.4.0-0.1+b1) ... Setting up libxext6:amd64 (2:1.3.4-1+b2) ... Setting up libldap-2.5-0:amd64 (2.5.18+dfsg-3+b1) ... Setting up libxxf86vm1:amd64 (1:1.1.4-1+b3) ... Setting up libinput-bin (1.26.2-1) ... Setting up libtbbbind-2-5:amd64 (2021.12.0-1) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:amd64 (3.7.0-0.3+b1) ... Setting up libxnvctrl0:amd64 (535.171.04-1+b1) ... Setting up dh-autoreconf (20) ... Setting up ca-certificates (20240203) ... Updating certificates in /etc/ssl/certs... 146 added, 0 removed; done. Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:amd64 (1:17.0.6-18) ... Setting up packmol (1:20.14.3-1) ... Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ... Setting up libxfixes3:amd64 (1:6.0.0-2+b2) ... Setting up shared-mime-info (2.4-5+b1) ... Setting up libxkbcommon-x11-0:amd64 (1.7.0-1) ... Setting up libgssapi-krb5-2:amd64 (1.21.3-3) ... Setting up libjs-sphinxdoc (8.1.3-2) ... Setting up libreadline8t64:amd64 (8.2-6) ... 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Setting up ibverbs-providers:amd64 (52.0-2+b1) ... Setting up python3.13 (3.13.1-2) ... Setting up libdrm-radeon1:amd64 (2.4.123-1) ... Setting up openssh-client (1:9.9p1-3) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:amd64 (8.6.15-1) ... Setting up libdrm-intel1:amd64 (2.4.123-1) ... Setting up python3.12-tk (3.12.8-3) ... Setting up libcurl3t64-gnutls:amd64 (8.11.1-1) ... Setting up libtbb12:amd64 (2021.12.0-1) ... Setting up libhwloc-plugins:amd64 (2.11.2-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up libcairo2:amd64 (1.18.2-2) ... Setting up python3.13-tk (3.13.1-2) ... Setting up libqt5core5t64:amd64 (5.15.15+dfsg-2) ... Setting up libraqm0:amd64 (0.10.2-1) ... Setting up libpython3.13-dev:amd64 (3.13.1-2) ... Setting up sphinx-common (8.1.3-2) ... Setting up libpmix2t64:amd64 (5.0.4-1) ... Setting up libhdf5-310:amd64 (1.14.5+repack-1) ... Setting up libtheora0:amd64 (1.1.1+dfsg.1-17) ... Setting up libnsl2:amd64 (1.3.0-3+b3) ... Setting up librdmacm1t64:amd64 (52.0-2+b1) ... Setting up libhsakmt1:amd64 (6.1.2+ds-1) ... Setting up libfabric1:amd64 (1.17.0-3.1) ... Setting up libhdf5-hl-310:amd64 (1.14.5+repack-1) ... Setting up mesa-libgallium:amd64 (24.2.8-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7) ... Setting up libnetcdf19t64:amd64 (1:4.9.2-7+b1) ... Setting up libqt5dbus5t64:amd64 (5.15.15+dfsg-2) ... Setting up libpython3.12-stdlib:amd64 (3.12.8-3) ... Setting up libproj25:amd64 (9.5.1-1) ... Setting up libgbm1:amd64 (24.2.8-1) ... Setting up python3.13-dev (3.13.1-2) ... Setting up blt (2.5.3+dfsg-7) ... Setting up python3.12 (3.12.8-3) ... Setting up libgl1-mesa-dri:amd64 (24.2.8-1) ... Setting up libqt5network5t64:amd64 (5.15.15+dfsg-2) ... Setting up libopenbabel7 (3.1.1+dfsg-11+b1) ... Setting up debhelper (13.20) ... Setting up libpython3.12t64:amd64 (3.12.8-3) ... Setting up libegl-mesa0:amd64 (24.2.8-1) ... Setting up libhsa-runtime64-1:amd64 (6.1.2-2) ... Setting up libegl1:amd64 (1.7.0-1+b2) ... Setting up libpython3-stdlib:amd64 (3.12.7-1) ... Setting up libglx-mesa0:amd64 (24.2.8-1) ... Setting up libglx0:amd64 (1.7.0-1+b2) ... Setting up python3 (3.12.7-1) ... Setting up libpython3.12-dev:amd64 (3.12.8-3) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-markupsafe (2.1.5-1+b2) ... Setting up python3-wheel (0.45.1-1) ... Setting up python3-annotated-types (0.7.0-1) ... Setting up python3-platformdirs (4.3.6-1) ... Setting up python3-tz (2024.1-2) ... Setting up python3-six (1.17.0-1) ... Setting up python3-bson (4.10.1-4) ... Setting up python3-pil:amd64 (10.4.0-1+b1) ... Setting up python3-roman (4.2-1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-jinja2 (3.1.3-1.1) ... Setting up python3-packaging (24.2-1) ... Setting up libgl1:amd64 (1.7.0-1+b2) ... Setting up libamdhip64-5 (5.7.1-5) ... Setting up python3-pyproject-hooks (1.2.0-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up python3-certifi (2024.8.30+dfsg-1) ... Setting up python3-snowballstemmer (2.2.0-4) ... Setting up python3-brotli (1.1.0-2+b6) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-2+b1) ... Setting up python3-idna (3.8-2) ... Setting up python3.12-dev (3.12.8-3) ... Setting up cython3 (3.0.11+dfsg-1+b1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up libglew2.2:amd64 (2.2.0-4+b2) ... Setting up python3-toml (0.10.2-1) ... Setting up python3-installer (0.7.0+dfsg1-3) ... Setting up python3-urllib3 (2.2.3-4) ... Setting up python3-pluggy (1.5.0-1) ... Setting up python3-rpds-py (0.21.0-2) ... Setting up python3-fastjsonschema (2.20.0-1) ... Setting up python3-lxml:amd64 (5.3.0-1+b1) ... Setting up python3-dnspython (2.7.0-1) ... Setting up python3-traitlets (5.14.3+really5.14.3-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-email-validator (2.2.0-1) ... Setting up python3-mpmath (1.3.0-1) ... Setting up python3-build (1.2.2-1) ... Setting up python3-appdirs (1.4.4-4) ... Setting up python3-soupsieve (2.6-1) ... Setting up python3-jupyter-core (5.7.2-4) ... Setting up python3-imagesize (1.4.1-1) ... Setting up python3-dotenv (1.0.1-1) ... Setting up python3-more-itertools (10.5.0-1) ... Setting up python3-iniconfig (1.1.1-2) ... Setting up python3-sympy (1.13.3-1) ... Setting up python3-attr (24.2.0-1) ... Setting up libucx0:amd64 (1.17.0+ds-3) ... Setting up libpython3-dev:amd64 (3.12.7-1) ... Setting up python3-pydantic-core (2.27.1-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-openbabel (3.1.1+dfsg-11+b1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-lz4 (4.4.0+dfsg-1) ... Setting up python3-defusedxml (0.7.1-3) ... Setting up python3-charset-normalizer (3.4.0-1+b1) ... Setting up python3-pytest (8.3.4-1) ... Setting up python3-alabaster (0.7.16-0.1) ... Setting up python3-tenacity (8.4.2+really8.4.1-1) ... Setting up python3-tqdm (4.67.1-1) ... Setting up python3-typeguard (4.4.1-1) ... Setting up python3-ruamel.yaml.clib:amd64 (0.2.8+ds-2+b1) ... Setting up python3-frozendict (1.2-3) ... Setting up python3-tabulate (0.9.0-1) ... Setting up python3-latexcodec (3.0.0-1) ... Setting up python3-all (3.12.7-1) ... Setting up python3-yaml (6.0.2-1+b1) ... Setting up python3-tk:amd64 (3.12.7-1) ... Setting up python3-bs4 (4.12.3-3) ... Setting up libgl2ps1.4 (1.4.2+dfsg1-2) ... Setting up python3-inflect (7.3.1-2) ... Setting up libqt5gui5t64:amd64 (5.15.15+dfsg-2) ... Setting up python3-pil.imagetk:amd64 (10.4.0-1+b1) ... Setting up libpython3-all-dev:amd64 (3.12.7-1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-pydantic (2.10.3-1) ... Setting up python3-dev (3.12.7-1) ... Setting up python3-ruamel.yaml (0.18.6+ds-3) ... Setting up python3-pydantic-settings (2.7.0-1) ... Setting up python3-referencing (0.35.1-2) ... Setting up python3-pkg-resources (75.2.0-1) ... Setting up python3-all-dev (3.12.7-1) ... Setting up libopenmpi40:amd64 (5.0.6-3) ... Setting up python3-setuptools (75.2.0-1) ... Setting up python3-joblib (1.3.2-5) ... Setting up python3-babel (2.16.0-1) ... update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up libqt5widgets5t64:amd64 (5.15.15+dfsg-2) ... Setting up python3-networkx (3.2.1-5) ... Setting up python3-fs (2.4.16-5) ... Setting up python3-palettable (3.3.3-1) ... Setting up python3-pygments (2.18.0+dfsg-1) ... Setting up python3-chardet (5.2.0+dfsg-1) ... Setting up libvtk9.3:amd64 (9.3.0+dfsg1-1.1+b2) ... Setting up python3-requests (2.32.3+dfsg-1) ... Setting up python3-numpy (1:1.26.4+ds-12) ... Setting up python3-pybtex (0.24.0-4) ... Setting up python3-contourpy (1.3.1-1) ... Setting up python3-spglib (2.5.0-1+b1) ... Setting up python3-jsonschema-specifications (2023.12.1-2) ... Setting up openmpi-bin (5.0.6-3) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 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/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up python3-uncertainties (3.2.2-1) ... Setting up dh-python (6.20241024) ... Setting up python3-scipy (1.14.1-3) ... Setting up libvtk9.3-qt:amd64 (9.3.0+dfsg1-1.1+b2) ... Setting up pybuild-plugin-pyproject (6.20241024) ... Setting up python3-pandas-lib:amd64 (2.2.3+dfsg-5+b1) ... Setting up mpi-default-bin (1.17) ... Setting up python3-h5py-serial (3.12.1-1+b1) ... Setting up python3-mpi4py (4.0.1-6+b1) ... Setting up python3-pandas (2.2.3+dfsg-5) ... Setting up python3-jsonschema (4.19.2-5) ... Setting up python3-h5py (3.12.1-1) ... Setting up python3-cftime (1.6.4-1+b2) ... Setting up python3-monty (2024.10.21-1) ... Setting up python3-netcdf4 (1.7.2-1+b1) ... Setting up python3-vtk9 (9.3.0+dfsg1-1.1+b2) ... /usr/lib/python3/dist-packages/vtkmodules/util/vtkMethodParser.py:304: SyntaxWarning: invalid escape sequence '\S' patn = re.compile (" \S") /usr/lib/python3/dist-packages/vtkmodules/util/vtkMethodParser.py:304: SyntaxWarning: invalid escape sequence '\S' patn = re.compile (" \S") Setting up python3-nbformat (5.9.1-1) ... Setting up python3-plotly (5.20.0+dfsg-1) ... Setting up python3-fonttools (4.55.0-3) ... Setting up python3-ufolib2 (0.17.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-3+b1) ... Setting up python3-ase (3.23.0-1) ... Setting up python3-phonopy (2.23.1-1+b3) ... Setting up python3-pymatgen (2024.10.29+dfsg1-4) ... Setting up python3-emmet-core (0.76.2-1) ... Processing triggers for libc-bin (2.40-4) ... Processing triggers for sgml-base (1.31) ... Setting up docutils-common (0.21.2+dfsg-2) ... Processing triggers for sgml-base (1.31) ... Setting up python3-docutils (0.21.2+dfsg-2) ... Setting up python3-sphinx (8.1.3-2) ... Setting up python3-sphinxcontrib.jquery (4.1-5) ... Setting up python3-sphinx-rtd-theme (3.0.2+dfsg-1) ... Processing triggers for ca-certificates (20240203) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/pymatgen-2024.10.29+dfsg1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../pymatgen_2024.10.29+dfsg1-4_source.changes dpkg-buildpackage: info: source package pymatgen dpkg-buildpackage: info: source version 2024.10.29+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-2024.10.29+dfsg1/debian/source/options: --extend-diff-ignore=^[^/]*[.]egg-info/ debian/rules clean 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-2024.10.29+dfsg1' 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-2024.10.29+dfsg1' dh_autoreconf_clean -O--buildsystem=pybuild dh_clean -O--buildsystem=pybuild debian/rules binary 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-2024.10.29+dfsg1/.pybuild/cpython3_3.13_pymatgen * Building wheel... 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/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/enumlib_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/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/mcsqs_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/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line 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/__init__.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 creating 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/provenance.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/typing.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/num.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/__init__.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/numba.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/io_utils.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util 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/cli copying src/pymatgen/cli/pmg.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/feff_plot_dos.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 copying src/pymatgen/cli/pmg_structure.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/feff_plot_cross_section.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/pmg_potcar.py -> build/lib.linux-x86_64-cpython-313/pymatgen/cli creating build/lib.linux-x86_64-cpython-313/pymatgen/phonon copying src/pymatgen/phonon/gruneisen.py -> 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/__init__.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/bandstructure.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 creating 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/matproj_legacy.py -> 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/optimade.py -> build/lib.linux-x86_64-cpython-313/pymatgen/ext creating 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/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/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/vis creating 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/transformation_abc.py -> 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/__init__.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 creating 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/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/molecular_orbitals.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/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/composition.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/surface.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 copying src/pymatgen/core/ion.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/libxcfunc.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/operations.py -> build/lib.linux-x86_64-cpython-313/pymatgen/core creating 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/quasiharmonic.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/piezo_sensitivity.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/adsorption.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/energy_models.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/ewald.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/surface_analysis.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/local_env.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/thermochemistry.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/phase_diagram.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/structure_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/cost.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/transition_state.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/molecule_structure_comparator.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/wulff.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/bond_valence.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/piezo.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/reaction_calculator.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 creating 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/bandstructure.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/cohp.py -> 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/dos.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 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/groups.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/structure.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/kpath.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 copying src/pymatgen/symmetry/settings.py -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry creating 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/exp_entries.py -> 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/entry_tools.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 copying src/pymatgen/entries/correction_calculator.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 creating 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/template.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/multiwfn.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/common.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/fiesta.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/xr.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/packmol.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/phonopy.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/atat.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/lmto.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/prismatic.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/xcrysden.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/core.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/ase.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/pwscf.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io copying src/pymatgen/io/shengbte.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io 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/util/testing copying src/pymatgen/util/testing/__init__.py -> build/lib.linux-x86_64-cpython-313/pymatgen/util/testing 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/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/battery_abc.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 copying src/pymatgen/apps/battery/insertion_battery.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/battery creating 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 copying src/pymatgen/apps/borg/hive.py -> build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg creating 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 copying src/pymatgen/analysis/ferroelectricity/polarization.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/ferroelectricity creating 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 copying src/pymatgen/analysis/solar/slme.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/solar creating 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 copying src/pymatgen/analysis/gb/grain.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/gb 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/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/substitution_probability.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 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/dopant_predictor.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/structure_prediction creating 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 copying src/pymatgen/analysis/elasticity/strain.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/elastic.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/elasticity creating 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/jahnteller.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 copying src/pymatgen/analysis/magnetism/heisenberg.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism creating 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 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/coherent_interfaces.py -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/interfaces 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/topological copying src/pymatgen/analysis/topological/__init__.py -> 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 creating 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 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 creating 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/__init__.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/connected_components.py -> 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 creating 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/__init__.py -> 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/structure_environments.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 creating 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/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/__init__.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/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/chemenv_config.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 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 creating 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/inputs.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 copying src/pymatgen/io/aims/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/aims creating 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/__init__.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/sets.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 creating 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/inputs.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/__init__.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/sets.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 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/__init__.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 creating 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/__init__.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/sets.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 creating 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/inputs.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 copying src/pymatgen/io/vasp/sets.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/help.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/vasp 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/__init__.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 creating 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/__init__.py -> 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/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/feff creating 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/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/variable.py -> 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/__init__.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 creating 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/inputs.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 copying src/pymatgen/io/lobster/outputs.py -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lobster 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/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 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/core.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/py.typed -> build/lib.linux-x86_64-cpython-313/pymatgen copying src/pymatgen/command_line/OxideTersoffPotentials -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/lewis.lib -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/command_line/bush.lib -> build/lib.linux-x86_64-cpython-313/pymatgen/command_line copying src/pymatgen/util/plotly_pd_layouts.json -> build/lib.linux-x86_64-cpython-313/pymatgen/util 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 creating 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/He_BCC.json -> 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/LiFePO4.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/Pb2TiZrO6.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/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/SiO2.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/Li2O.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/Li3V2(PO4)3.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/Li10GeP2S12.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/util/structures/La2CoO4F.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/Graphite.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/vis/ElementColorSchemes.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/vis 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/bond_lengths.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/core/quad_data.json -> build/lib.linux-x86_64-cpython-313/pymatgen/core copying src/pymatgen/analysis/atomic_subshell_photoionization_cross_sections.csv -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis 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/ionic_radii.json -> 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/bonds_jmol_ob.yaml -> 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/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 copying src/pymatgen/analysis/op_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/symmetry/symm_ops.json -> build/lib.linux-x86_64-cpython-313/pymatgen/symmetry copying src/pymatgen/symmetry/symm_data.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/MPCompatibility.yaml -> 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 creating 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/entries/data/g_els.json -> build/lib.linux-x86_64-cpython-313/pymatgen/entries/data 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/lambda.json -> 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/magnetism/default_magmoms.yaml -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/magnetism 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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/allcg.txt -> build/lib.linux-x86_64-cpython-313/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files 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/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/thermalization.template -> 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/msd.template -> build/lib.linux-x86_64-cpython-313/pymatgen/io/lammps/templates copying src/pymatgen/io/vasp/incar_parameters.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/vasp_potcar_file_hashes.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/PBE64Base.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/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/MPRelaxSet.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/MPAbsorptionSet.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/MVLGWSet.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/vdW_parameters.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/feff/MPXANESSet.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/MPELNESSet.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 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_min.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 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 -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2024.10.29+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python3/dist-packages/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/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:5, from src/pymatgen/optimization/linear_assignment.c:1240: /usr/lib/python3/dist-packages/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 " \ | ^~~~~~~ In function '__pyx_f_8pymatgen_12optimization_17linear_assignment_compute', inlined from '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra' at src/pymatgen/optimization/linear_assignment.c:19963:16: src/pymatgen/optimization/linear_assignment.c:20839:19: warning: '__pyx_v_j2' may be used uninitialized [-Wmaybe-uninitialized] 20839 | __pyx_t_5 = __pyx_v_j1; | ~~~~~~~~~~^~~~~~~~~~~~ src/pymatgen/optimization/linear_assignment.c: In function '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra': src/pymatgen/optimization/linear_assignment.c:20055:7: note: '__pyx_v_j2' was declared here 20055 | int __pyx_v_j2; | ^~~~~~~~~~ In function '__pyx_f_8pymatgen_12optimization_17linear_assignment_compute', inlined from '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra' at src/pymatgen/optimization/linear_assignment.c:19963:16: src/pymatgen/optimization/linear_assignment.c:21552:42: warning: '__pyx_v_last' may be used uninitialized [-Wmaybe-uninitialized] 21552 | __pyx_t_13 = (__pyx_v_last + 1); | ~~~~~~~~~~~~~~^~~~ src/pymatgen/optimization/linear_assignment.c: In function '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra': src/pymatgen/optimization/linear_assignment.c:20041:7: note: '__pyx_v_last' was declared here 20041 | int __pyx_v_last; | ^~~~~~~~~~~~ In function '__pyx_f_8pymatgen_12optimization_17linear_assignment_compute', inlined from '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra' at src/pymatgen/optimization/linear_assignment.c:19963:16: src/pymatgen/optimization/linear_assignment.c:21462:18: warning: '__pyx_v_m' may be used uninitialized [-Wmaybe-uninitialized] 21462 | __pyx_v_u1 = (((*((__pyx_t_5numpy_float_t *) ( /* dim=1 */ (( /* dim=0 */ (__pyx_v_c.data + __pyx_t_4 * __pyx_v_c.strides[0]) ) + __pyx_t_5 * __pyx_v_c.strides[1]) ))) - (__pyx_v_v[__pyx_v_j1])) - __pyx_v_m); | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ src/pymatgen/optimization/linear_assignment.c: In function '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra': src/pymatgen/optimization/linear_assignment.c:20051:26: note: '__pyx_v_m' was declared here 20051 | __pyx_t_5numpy_float_t __pyx_v_m; | ^~~~~~~~~ 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-2024.10.29+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 -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2024.10.29+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python3/dist-packages/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/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:5, from src/pymatgen/util/coord_cython.c:1240: /usr/lib/python3/dist-packages/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/util/coord_cython.c: In function '__pyx_pf_8pymatgen_4util_12coord_cython_pbc_shortest_vectors.isra': src/pymatgen/util/coord_cython.c:22271:24: warning: '__pyx_v_bestk' may be used uninitialized [-Wmaybe-uninitialized] 22271 | __pyx_t_29 = __pyx_v_bestk; | ~~~~~~~~~~~^~~~~~~~~~~~~~~ src/pymatgen/util/coord_cython.c:21017:7: note: '__pyx_v_bestk' was declared here 21017 | int __pyx_v_bestk; | ^~~~~~~~~~~~~ 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-2024.10.29+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 -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2024.10.29+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python3/dist-packages/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/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:5, from src/pymatgen/optimization/neighbors.c:1241: /usr/lib/python3/dist-packages/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:21465:97: warning: passing argument 3 of '__pyx_f_8pymatgen_12optimization_9neighbors_get_bounds' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 21465 | __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:3237:98: 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 *'} 3237 | 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:22606:35: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 22606 | for (__pyx_t_33 = 0; __pyx_t_33 < __pyx_t_21; __pyx_t_33+=1) { | ^ src/pymatgen/optimization/neighbors.c: In function '__pyx_f_8pymatgen_12optimization_9neighbors_recip_component': src/pymatgen/optimization/neighbors.c:25529:54: warning: passing argument 1 of '__pyx_f_8pymatgen_12optimization_9neighbors_cross' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 25529 | __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:3246:63: note: expected 'double *' but argument is of type 'const double *' 3246 | static void __pyx_f_8pymatgen_12optimization_9neighbors_cross(double *, double *, double *); /*proto*/ | ^~~~~~~~ src/pymatgen/optimization/neighbors.c:25529:158: warning: passing argument 2 of '__pyx_f_8pymatgen_12optimization_9neighbors_cross' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 25529 | __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:3246:73: note: expected 'double *' but argument is of type 'const double *' 3246 | static void __pyx_f_8pymatgen_12optimization_9neighbors_cross(double *, double *, double *); /*proto*/ | ^~~~~~~~ src/pymatgen/optimization/neighbors.c:25539:66: warning: passing argument 1 of '__pyx_f_8pymatgen_12optimization_9neighbors_inner' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 25539 | __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:3245:65: note: expected 'double *' but argument is of type 'const double *' 3245 | 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-2024.10.29+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/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/OxideTersoffPotentials -> 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/enumlib_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/bader_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/lewis.lib -> 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/mcsqs_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/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-313/pymatgen/command_line/bush.lib -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line 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/__init__.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 creating build/bdist.linux-x86_64/wheel/pymatgen/util creating build/bdist.linux-x86_64/wheel/pymatgen/util/testing copying build/lib.linux-x86_64-cpython-313/pymatgen/util/testing/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util/testing 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/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 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/joblib.py -> 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/typing.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/num.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/__init__.py -> 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 creating 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/He_BCC.json -> 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/LiFePO4.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/Pb2TiZrO6.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/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/SiO2.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/Li2O.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/Li3V2(PO4)3.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/Li10GeP2S12.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/structures/La2CoO4F.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/Graphite.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/numba.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util 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/plotly_chempot_layouts.json -> 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/io_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util creating build/bdist.linux-x86_64/wheel/pymatgen/apps 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/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/battery_abc.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/battery/insertion_battery.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/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 copying build/lib.linux-x86_64-cpython-313/pymatgen/apps/borg/hive.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/borg creating 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_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/feff_plot_dos.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 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_analyze.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_config.py -> 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 creating 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 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/__init__.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/bandstructure.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 creating 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/matproj_legacy.py -> 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/optimade.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext creating 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/plotters.py -> 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/structure_vtk.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/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/transformation_abc.py -> 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/__init__.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 creating 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/libxc_docs.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/molecular_orbitals.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/bonds.py -> 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/func_groups.json -> 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/composition.py -> 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/spectrum.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/surface.py -> 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 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/ion.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/libxcfunc.py -> 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/operations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core creating build/bdist.linux-x86_64/wheel/pymatgen/analysis 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/atomic_subshell_photoionization_cross_sections.csv -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating 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/ferroelectricity/polarization.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/ferroelectricity copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/quasiharmonic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis 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/piezo_sensitivity.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/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/__init__.py -> 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/dimensionality.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/chempot_diagram.py -> 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/gb copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/gb/__init__.py -> 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 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/prototypes.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 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/surface_analysis.py -> 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 creating 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 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/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/__init__.py -> 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/dopant_predictor.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/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/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/cn_opt_params.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis 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/ionic_radii.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/local_env.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating 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/elasticity/strain.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/elastic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity 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/analyzer.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/__init__.py -> 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 creating 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 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/coherent_interfaces.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces 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/aflow_prototypes.json -> 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/excitation.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/functional_groups.py -> 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/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/__init__.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/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/environment_nodes.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity creating 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 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/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/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/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/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/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/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/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/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/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/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/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/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/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_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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/__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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/__init__.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_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/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/coordination_geometries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments creating 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/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/__init__.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/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/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/chemenv_errors.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/structure_matcher.py -> 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/cost.py -> 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/transition_state.py -> 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 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/molecule_structure_comparator.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/disorder.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating 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 copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/topological/spillage.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/topological creating 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_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/diffraction/core.py -> 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/wulff.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/bond_valence.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/piezo.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/pourbaix_diagram.py -> 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/hhi.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 copying build/lib.linux-x86_64-cpython-313/pymatgen/analysis/icsd_bv.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating 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/bandstructure.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/cohp.py -> 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/dos.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 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_data_magnetic.sqlite -> 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_ops.yaml -> 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/structure.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/site_symmetries.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/symm_data.yaml -> 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/__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 copying build/lib.linux-x86_64-cpython-313/pymatgen/symmetry/settings.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/computed_entries.py -> 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/MPCompatibility.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/entry_tools.py -> 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 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/MITCompatibility.yaml -> 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/exp_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/nist_gas_gf.json -> 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/calc_compounds.json.gz -> build/bdist.linux-x86_64/wheel/./pymatgen/entries 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/py.typed -> build/bdist.linux-x86_64/wheel/./pymatgen creating 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/template.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 creating 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/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/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/core.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/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims 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/aims/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims creating 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/__init__.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/sets.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/multiwfn.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 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/lammps 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/inputs.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/data.py -> 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/lammps/utils.py -> 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 creating 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/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/msd.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates 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/wannier90.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io 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/adf.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 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/packmol.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/phonopy.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/zeopp.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/optimade.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-313/pymatgen/io/lmto.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 copying build/lib.linux-x86_64-cpython-313/pymatgen/io/prismatic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io 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/__init__.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 creating 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/__init__.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/sets.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/icet.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/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/VASPIncarBase.yaml -> 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/MPHSERelaxSet.yaml -> 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/PBE54Base.yaml -> 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/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/inputs.py -> 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/vasp/incar_parameters.json -> 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/sets.py -> 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/outputs.py -> 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/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/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/MITRelaxSet.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/res.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/gaussian.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io 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/jarvis.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/shengbte.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io 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/__init__.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 creating 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/MPEXAFSSet.yaml -> 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/__init__.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/sets.py -> 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 creating 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/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/variable.py -> 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/__init__.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 creating 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/inputs.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 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_min.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/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster 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/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/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/dao.py -> build/bdist.linux-x86_64/wheel/./pymatgen 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:161: 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-2024.10.29.egg-info running install_scripts creating build/bdist.linux-x86_64/wheel/pymatgen-2024.10.29.dist-info/WHEEL creating '/build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.13_pymatgen/.tmp-a46y020u/pymatgen-2024.10.29-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/OxideTersoffPotentials' adding 'pymatgen/command_line/__init__.py' adding 'pymatgen/command_line/bader_caller.py' adding 'pymatgen/command_line/bush.lib' 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/lewis.lib' 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/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/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/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/util/testing/__init__.py' 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-2024.10.29.dist-info/LICENSE' adding 'pymatgen-2024.10.29.dist-info/METADATA' adding 'pymatgen-2024.10.29.dist-info/WHEEL' adding 'pymatgen-2024.10.29.dist-info/entry_points.txt' adding 'pymatgen-2024.10.29.dist-info/top_level.txt' adding 'pymatgen-2024.10.29.dist-info/RECORD' removing build/bdist.linux-x86_64/wheel Successfully built pymatgen-2024.10.29-cp313-cp313-linux_x86_64.whl I: pybuild plugin_pyproject:144: Unpacking wheel built for python3.13 with "installer" module I: pybuild plugin_pyproject:129: Building wheel for python3.12 with "build" module I: pybuild base:311: python3.12 -m build --skip-dependency-check --no-isolation --wheel --outdir /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen * Building wheel... running bdist_wheel running build running build_py creating build/lib.linux-x86_64-cpython-312/pymatgen copying src/pymatgen/dao.py -> build/lib.linux-x86_64-cpython-312/pymatgen creating build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/vampire_caller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/enumlib_caller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/chargemol_caller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/bader_caller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/gulp_caller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/mcsqs_caller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/critic2_caller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line creating build/lib.linux-x86_64-cpython-312/pymatgen/alchemy copying src/pymatgen/alchemy/filters.py -> build/lib.linux-x86_64-cpython-312/pymatgen/alchemy copying src/pymatgen/alchemy/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/alchemy copying src/pymatgen/alchemy/materials.py -> build/lib.linux-x86_64-cpython-312/pymatgen/alchemy copying src/pymatgen/alchemy/transmuters.py -> build/lib.linux-x86_64-cpython-312/pymatgen/alchemy creating build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/string.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/graph_hashing.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/provenance.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/joblib.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/typing.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/plotting.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/num.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/due.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/coord.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/numba.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/misc.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/io_utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util creating build/lib.linux-x86_64-cpython-312/pymatgen/apps copying src/pymatgen/apps/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps creating build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/pmg.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/pmg_plot.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/get_environment.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/feff_plot_dos.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/pmg_structure.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/pmg_analyze.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/feff_plot_cross_section.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/pmg_config.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli copying src/pymatgen/cli/pmg_potcar.py -> build/lib.linux-x86_64-cpython-312/pymatgen/cli creating build/lib.linux-x86_64-cpython-312/pymatgen/phonon copying src/pymatgen/phonon/gruneisen.py -> build/lib.linux-x86_64-cpython-312/pymatgen/phonon copying src/pymatgen/phonon/ir_spectra.py -> build/lib.linux-x86_64-cpython-312/pymatgen/phonon copying src/pymatgen/phonon/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/phonon copying src/pymatgen/phonon/thermal_displacements.py -> build/lib.linux-x86_64-cpython-312/pymatgen/phonon copying src/pymatgen/phonon/bandstructure.py -> build/lib.linux-x86_64-cpython-312/pymatgen/phonon copying src/pymatgen/phonon/plotter.py -> build/lib.linux-x86_64-cpython-312/pymatgen/phonon copying src/pymatgen/phonon/dos.py -> build/lib.linux-x86_64-cpython-312/pymatgen/phonon creating build/lib.linux-x86_64-cpython-312/pymatgen/ext copying src/pymatgen/ext/matproj.py -> build/lib.linux-x86_64-cpython-312/pymatgen/ext copying src/pymatgen/ext/matproj_legacy.py -> build/lib.linux-x86_64-cpython-312/pymatgen/ext copying src/pymatgen/ext/cod.py -> build/lib.linux-x86_64-cpython-312/pymatgen/ext copying src/pymatgen/ext/optimade.py -> build/lib.linux-x86_64-cpython-312/pymatgen/ext creating build/lib.linux-x86_64-cpython-312/pymatgen/vis copying src/pymatgen/vis/structure_chemview.py -> build/lib.linux-x86_64-cpython-312/pymatgen/vis copying src/pymatgen/vis/plotters.py -> build/lib.linux-x86_64-cpython-312/pymatgen/vis copying src/pymatgen/vis/structure_vtk.py -> build/lib.linux-x86_64-cpython-312/pymatgen/vis copying src/pymatgen/vis/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/vis creating build/lib.linux-x86_64-cpython-312/pymatgen/transformations copying src/pymatgen/transformations/standard_transformations.py -> build/lib.linux-x86_64-cpython-312/pymatgen/transformations copying src/pymatgen/transformations/transformation_abc.py -> build/lib.linux-x86_64-cpython-312/pymatgen/transformations copying src/pymatgen/transformations/site_transformations.py -> build/lib.linux-x86_64-cpython-312/pymatgen/transformations copying src/pymatgen/transformations/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/transformations copying src/pymatgen/transformations/advanced_transformations.py -> build/lib.linux-x86_64-cpython-312/pymatgen/transformations creating build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/trajectory.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/lattice.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/units.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/molecular_orbitals.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/structure.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/bonds.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/tensors.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/composition.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/spectrum.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/surface.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/xcfunc.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/ion.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/interface.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/periodic_table.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/libxcfunc.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/sites.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/operations.py -> build/lib.linux-x86_64-cpython-312/pymatgen/core creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/eos.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/quasiharmonic.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/structure_analyzer.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/piezo_sensitivity.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/dimensionality.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/adsorption.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/chempot_diagram.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/energy_models.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/prototypes.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/ewald.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/fragmenter.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/surface_analysis.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/interface_reactions.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/local_env.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/nmr.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/thermochemistry.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/excitation.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/phase_diagram.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/functional_groups.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/structure_matcher.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/xps.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/cost.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/molecule_matcher.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/transition_state.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/graphs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/molecule_structure_comparator.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/disorder.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/wulff.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/bond_dissociation.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/bond_valence.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/quasirrho.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/piezo.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/pourbaix_diagram.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/reaction_calculator.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/hhi.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis creating build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/boltztrap.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/bandstructure.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/plotter.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/cohp.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/core.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/dos.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure copying src/pymatgen/electronic_structure/boltztrap2.py -> build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure creating build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/maggroups.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/groups.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/analyzer.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/structure.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/site_symmetries.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/kpath.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/bandstructure.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/settings.py -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry creating build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/computed_entries.py -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/exp_entries.py -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/compatibility.py -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/entry_tools.py -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/correction_calculator.py -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/mixing_scheme.py -> build/lib.linux-x86_64-cpython-312/pymatgen/entries creating build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/openff.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/template.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/xyz.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/multiwfn.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/nwchem.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/common.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/wannier90.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/fiesta.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/adf.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/xr.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/cssr.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/packmol.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/babel.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/phonopy.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/zeopp.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/atat.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/optimade.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/lmto.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/cif.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/prismatic.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/icet.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/xcrysden.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/res.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/core.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/gaussian.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/ase.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/jarvis.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/pwscf.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io copying src/pymatgen/io/shengbte.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io creating build/lib.linux-x86_64-cpython-312/pymatgen/optimization copying src/pymatgen/optimization/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/optimization creating build/lib.linux-x86_64-cpython-312/pymatgen/util/testing copying src/pymatgen/util/testing/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/util/testing creating build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery copying src/pymatgen/apps/battery/conversion_battery.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery copying src/pymatgen/apps/battery/analyzer.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery copying src/pymatgen/apps/battery/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery copying src/pymatgen/apps/battery/battery_abc.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery copying src/pymatgen/apps/battery/plotter.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery copying src/pymatgen/apps/battery/insertion_battery.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery creating build/lib.linux-x86_64-cpython-312/pymatgen/apps/borg copying src/pymatgen/apps/borg/queen.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/borg copying src/pymatgen/apps/borg/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/borg copying src/pymatgen/apps/borg/hive.py -> build/lib.linux-x86_64-cpython-312/pymatgen/apps/borg creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/ferroelectricity copying src/pymatgen/analysis/ferroelectricity/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/ferroelectricity copying src/pymatgen/analysis/ferroelectricity/polarization.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/ferroelectricity creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/solar copying src/pymatgen/analysis/solar/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/solar copying src/pymatgen/analysis/solar/slme.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/solar creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/gb copying src/pymatgen/analysis/gb/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/gb copying src/pymatgen/analysis/gb/grain.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/gb creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/xas copying src/pymatgen/analysis/xas/spectrum.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/xas copying src/pymatgen/analysis/xas/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/xas creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/substitutor.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/substitution_probability.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/volume_predictor.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction copying src/pymatgen/analysis/structure_prediction/dopant_predictor.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/strain.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/stress.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity copying src/pymatgen/analysis/elasticity/elastic.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/analyzer.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/jahnteller.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism copying src/pymatgen/analysis/magnetism/heisenberg.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/zsl.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/substrate_analyzer.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces copying src/pymatgen/analysis/interfaces/coherent_interfaces.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv copying src/pymatgen/analysis/chemenv/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/topological copying src/pymatgen/analysis/topological/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/topological copying src/pymatgen/analysis/topological/spillage.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/topological creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/xrd.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/tem.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/core.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/neutron.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/structure_connectivity.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/connectivity_finder.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/connected_components.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity copying src/pymatgen/analysis/chemenv/connectivity/environment_nodes.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/voronoi.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/math_utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/scripts_utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/graph_utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/defs_utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/func_utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/chemenv_config.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils copying src/pymatgen/analysis/chemenv/utils/chemenv_errors.py -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils creating build/lib.linux-x86_64-cpython-312/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-312/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files creating build/lib.linux-x86_64-cpython-312/pymatgen/io/aims copying src/pymatgen/io/aims/parsers.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims copying src/pymatgen/io/aims/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims copying src/pymatgen/io/aims/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims copying src/pymatgen/io/aims/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims creating build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem copying src/pymatgen/io/qchem/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem copying src/pymatgen/io/qchem/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem copying src/pymatgen/io/qchem/utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem copying src/pymatgen/io/qchem/sets.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem copying src/pymatgen/io/qchem/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem creating build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps copying src/pymatgen/io/lammps/generators.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps copying src/pymatgen/io/lammps/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps copying src/pymatgen/io/lammps/data.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps copying src/pymatgen/io/lammps/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps copying src/pymatgen/io/lammps/utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps copying src/pymatgen/io/lammps/sets.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps copying src/pymatgen/io/lammps/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps creating build/lib.linux-x86_64-cpython-312/pymatgen/io/xtb copying src/pymatgen/io/xtb/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/xtb copying src/pymatgen/io/xtb/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/xtb copying src/pymatgen/io/xtb/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/xtb creating build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/utils.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/sets.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k copying src/pymatgen/io/cp2k/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k creating build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/optics.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/sets.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/help.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp creating build/lib.linux-x86_64-cpython-312/pymatgen/io/pwmat copying src/pymatgen/io/pwmat/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/pwmat copying src/pymatgen/io/pwmat/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/pwmat copying src/pymatgen/io/pwmat/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/pwmat creating build/lib.linux-x86_64-cpython-312/pymatgen/io/feff copying src/pymatgen/io/feff/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff copying src/pymatgen/io/feff/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff copying src/pymatgen/io/feff/sets.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff copying src/pymatgen/io/feff/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff creating build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit copying src/pymatgen/io/abinit/abitimer.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit copying src/pymatgen/io/abinit/pseudos.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit copying src/pymatgen/io/abinit/abiobjects.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit copying src/pymatgen/io/abinit/variable.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit copying src/pymatgen/io/abinit/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit copying src/pymatgen/io/abinit/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit copying src/pymatgen/io/abinit/netcdf.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit creating build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster copying src/pymatgen/io/lobster/lobsterenv.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster copying src/pymatgen/io/lobster/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster copying src/pymatgen/io/lobster/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster copying src/pymatgen/io/lobster/outputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster creating build/lib.linux-x86_64-cpython-312/pymatgen/io/exciting copying src/pymatgen/io/exciting/inputs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/exciting copying src/pymatgen/io/exciting/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/exciting creating build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/base.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/__init__.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/bs.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/core.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets copying src/pymatgen/io/aims/sets/magnetism.py -> build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets copying src/pymatgen/py.typed -> build/lib.linux-x86_64-cpython-312/pymatgen copying src/pymatgen/command_line/OxideTersoffPotentials -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/lewis.lib -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/command_line/bush.lib -> build/lib.linux-x86_64-cpython-312/pymatgen/command_line copying src/pymatgen/util/plotly_pd_layouts.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/plotly_chempot_layouts.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util copying src/pymatgen/util/plotly_interface_rxn_layouts.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util creating build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/CsCl.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/He_BCC.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/NaFePO4.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/LiFePO4.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/K2O2.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Pb2TiZrO6.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/TiO2.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/BaNiO3.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/SrTiO3.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/SiO2.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Si_SiO2_Interface.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Li2O.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Sn.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Li3V2(PO4)3.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/VO2.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Li10GeP2S12.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Li2O2.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/La2CoO4F.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Si.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/Graphite.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/util/structures/TlBiSe2.json -> build/lib.linux-x86_64-cpython-312/pymatgen/util/structures copying src/pymatgen/vis/ElementColorSchemes.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/vis copying src/pymatgen/core/libxc_docs.json -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/reconstructions_archive.json -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/func_groups.json -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/bond_lengths.json -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/periodic_table.json -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/core/quad_data.json -> build/lib.linux-x86_64-cpython-312/pymatgen/core copying src/pymatgen/analysis/atomic_subshell_photoionization_cross_sections.csv -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/costdb_elements.csv -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/hhi_data.csv -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/ionic_radii.json -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/aflow_prototypes.json -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/bonds_jmol_ob.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/cn_opt_params.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/vesta_cutoffs.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/bvparam_1991.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/op_params.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/analysis/icsd_bv.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis copying src/pymatgen/symmetry/symm_ops.json -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/symm_data.json -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/symm_data_magnetic.sqlite -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/symm_ops.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/symmetry/symm_data.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/symmetry copying src/pymatgen/entries/exp_compounds.json.gz -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/calc_compounds.json.gz -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/MPCompatibility.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/MITCompatibility.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/entries copying src/pymatgen/entries/MP2020Compatibility.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/entries creating build/lib.linux-x86_64-cpython-312/pymatgen/entries/data copying src/pymatgen/entries/data/nist_gas_gf.json -> build/lib.linux-x86_64-cpython-312/pymatgen/entries/data copying src/pymatgen/entries/data/g_els.json -> build/lib.linux-x86_64-cpython-312/pymatgen/entries/data copying src/pymatgen/analysis/solar/am1.5G.dat -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/solar copying src/pymatgen/analysis/structure_prediction/DLS_bond_params.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction creating build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction/data copying src/pymatgen/analysis/structure_prediction/data/lambda.json -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction/data copying src/pymatgen/analysis/structure_prediction/data/pair_correlation.json -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction/data copying src/pymatgen/analysis/magnetism/default_magmoms.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PCPA#11.json -> build/lib.linux-x86_64-cpython-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#12.json -> build/lib.linux-x86_64-cpython-312/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-312/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-312/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-312/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-312/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-312/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-312/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files copying src/pymatgen/analysis/diffraction/atomic_scattering_params.json -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction copying src/pymatgen/analysis/diffraction/neutron_scattering_length.json -> build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction copying src/pymatgen/io/lammps/CoeffsDataType.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps creating build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/thermalization.template -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/minimization.template -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/md.template -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates copying src/pymatgen/io/lammps/templates/msd.template -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates copying src/pymatgen/io/vasp/incar_parameters.json -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/vasp_potcar_pymatgen_hashes.json -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/vasp_potcar_file_hashes.json -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/potcar-summary-stats.json.bz2 -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/PBE64Base.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/VASPIncarBase.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MatPESStaticSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPHSERelaxSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPRelaxSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/PBE54Base.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPAbsorptionSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MVLRelax52Set.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MVLGWSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MPSCANRelaxSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/vdW_parameters.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/vasp/MITRelaxSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp copying src/pymatgen/io/feff/MPXANESSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff copying src/pymatgen/io/feff/MPEXAFSSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff copying src/pymatgen/io/feff/MPELNESSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff copying src/pymatgen/io/feff/MPEXELFSSet.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/feff creating build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster/lobster_basis copying src/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_standard.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster/lobster_basis copying src/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_min.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster/lobster_basis copying src/pymatgen/io/lobster/lobster_basis/BASIS_PBE_54_max.yaml -> build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster/lobster_basis running build_ext building 'pymatgen.optimization.linear_assignment' extension creating build/temp.linux-x86_64-cpython-312/src/pymatgen/optimization x86_64-linux-gnu-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2024.10.29+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.12 -c src/pymatgen/optimization/linear_assignment.c -o build/temp.linux-x86_64-cpython-312/src/pymatgen/optimization/linear_assignment.o In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:5, from src/pymatgen/optimization/linear_assignment.c:1240: /usr/lib/python3/dist-packages/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 " \ | ^~~~~~~ In function '__pyx_f_8pymatgen_12optimization_17linear_assignment_compute', inlined from '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra' at src/pymatgen/optimization/linear_assignment.c:19963:16: src/pymatgen/optimization/linear_assignment.c:20839:19: warning: '__pyx_v_j2' may be used uninitialized [-Wmaybe-uninitialized] 20839 | __pyx_t_5 = __pyx_v_j1; | ~~~~~~~~~~^~~~~~~~~~~~ src/pymatgen/optimization/linear_assignment.c: In function '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra': src/pymatgen/optimization/linear_assignment.c:20055:7: note: '__pyx_v_j2' was declared here 20055 | int __pyx_v_j2; | ^~~~~~~~~~ In function '__pyx_f_8pymatgen_12optimization_17linear_assignment_compute', inlined from '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra' at src/pymatgen/optimization/linear_assignment.c:19963:16: src/pymatgen/optimization/linear_assignment.c:21552:42: warning: '__pyx_v_last' may be used uninitialized [-Wmaybe-uninitialized] 21552 | __pyx_t_13 = (__pyx_v_last + 1); | ~~~~~~~~~~~~~~^~~~ src/pymatgen/optimization/linear_assignment.c: In function '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra': src/pymatgen/optimization/linear_assignment.c:20041:7: note: '__pyx_v_last' was declared here 20041 | int __pyx_v_last; | ^~~~~~~~~~~~ In function '__pyx_f_8pymatgen_12optimization_17linear_assignment_compute', inlined from '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra' at src/pymatgen/optimization/linear_assignment.c:19963:16: src/pymatgen/optimization/linear_assignment.c:21462:18: warning: '__pyx_v_m' may be used uninitialized [-Wmaybe-uninitialized] 21462 | __pyx_v_u1 = (((*((__pyx_t_5numpy_float_t *) ( /* dim=1 */ (( /* dim=0 */ (__pyx_v_c.data + __pyx_t_4 * __pyx_v_c.strides[0]) ) + __pyx_t_5 * __pyx_v_c.strides[1]) ))) - (__pyx_v_v[__pyx_v_j1])) - __pyx_v_m); | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ src/pymatgen/optimization/linear_assignment.c: In function '__pyx_pf_8pymatgen_12optimization_17linear_assignment_16LinearAssignment___init__.isra': src/pymatgen/optimization/linear_assignment.c:20051:26: note: '__pyx_v_m' was declared here 20051 | __pyx_t_5numpy_float_t __pyx_v_m; | ^~~~~~~~~ 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-2024.10.29+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-312/src/pymatgen/optimization/linear_assignment.o -L/usr/lib/x86_64-linux-gnu -o build/lib.linux-x86_64-cpython-312/pymatgen/optimization/linear_assignment.cpython-312-x86_64-linux-gnu.so building 'pymatgen.util.coord_cython' extension creating build/temp.linux-x86_64-cpython-312/src/pymatgen/util x86_64-linux-gnu-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2024.10.29+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.12 -c src/pymatgen/util/coord_cython.c -o build/temp.linux-x86_64-cpython-312/src/pymatgen/util/coord_cython.o In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:5, from src/pymatgen/util/coord_cython.c:1240: /usr/lib/python3/dist-packages/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/util/coord_cython.c: In function '__pyx_pf_8pymatgen_4util_12coord_cython_pbc_shortest_vectors.isra': src/pymatgen/util/coord_cython.c:22271:24: warning: '__pyx_v_bestk' may be used uninitialized [-Wmaybe-uninitialized] 22271 | __pyx_t_29 = __pyx_v_bestk; | ~~~~~~~~~~~^~~~~~~~~~~~~~~ src/pymatgen/util/coord_cython.c:21017:7: note: '__pyx_v_bestk' was declared here 21017 | int __pyx_v_bestk; | ^~~~~~~~~~~~~ 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-2024.10.29+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-312/src/pymatgen/util/coord_cython.o -L/usr/lib/x86_64-linux-gnu -o build/lib.linux-x86_64-cpython-312/pymatgen/util/coord_cython.cpython-312-x86_64-linux-gnu.so building 'pymatgen.optimization.neighbors' extension x86_64-linux-gnu-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/pymatgen-2024.10.29+dfsg1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.12 -c src/pymatgen/optimization/neighbors.c -o build/temp.linux-x86_64-cpython-312/src/pymatgen/optimization/neighbors.o In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:5, from src/pymatgen/optimization/neighbors.c:1241: /usr/lib/python3/dist-packages/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:21465:97: warning: passing argument 3 of '__pyx_f_8pymatgen_12optimization_9neighbors_get_bounds' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 21465 | __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:3237:98: 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 *'} 3237 | 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:22606:35: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 22606 | for (__pyx_t_33 = 0; __pyx_t_33 < __pyx_t_21; __pyx_t_33+=1) { | ^ src/pymatgen/optimization/neighbors.c: In function '__pyx_f_8pymatgen_12optimization_9neighbors_recip_component': src/pymatgen/optimization/neighbors.c:25529:54: warning: passing argument 1 of '__pyx_f_8pymatgen_12optimization_9neighbors_cross' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 25529 | __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:3246:63: note: expected 'double *' but argument is of type 'const double *' 3246 | static void __pyx_f_8pymatgen_12optimization_9neighbors_cross(double *, double *, double *); /*proto*/ | ^~~~~~~~ src/pymatgen/optimization/neighbors.c:25529:158: warning: passing argument 2 of '__pyx_f_8pymatgen_12optimization_9neighbors_cross' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 25529 | __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:3246:73: note: expected 'double *' but argument is of type 'const double *' 3246 | static void __pyx_f_8pymatgen_12optimization_9neighbors_cross(double *, double *, double *); /*proto*/ | ^~~~~~~~ src/pymatgen/optimization/neighbors.c:25539:66: warning: passing argument 1 of '__pyx_f_8pymatgen_12optimization_9neighbors_inner' discards 'const' qualifier from pointer target type [-Wdiscarded-qualifiers] 25539 | __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:3245:65: note: expected 'double *' but argument is of type 'const double *' 3245 | 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-2024.10.29+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-312/src/pymatgen/optimization/neighbors.o -L/usr/lib/x86_64-linux-gnu -o build/lib.linux-x86_64-cpython-312/pymatgen/optimization/neighbors.cpython-312-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/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/OxideTersoffPotentials -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/vampire_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/enumlib_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/chargemol_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/bader_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/lewis.lib -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/gulp_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/mcsqs_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/critic2_caller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line copying build/lib.linux-x86_64-cpython-312/pymatgen/command_line/bush.lib -> build/bdist.linux-x86_64/wheel/./pymatgen/command_line creating build/bdist.linux-x86_64/wheel/pymatgen/alchemy copying build/lib.linux-x86_64-cpython-312/pymatgen/alchemy/filters.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy copying build/lib.linux-x86_64-cpython-312/pymatgen/alchemy/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy copying build/lib.linux-x86_64-cpython-312/pymatgen/alchemy/materials.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy copying build/lib.linux-x86_64-cpython-312/pymatgen/alchemy/transmuters.py -> build/bdist.linux-x86_64/wheel/./pymatgen/alchemy creating build/bdist.linux-x86_64/wheel/pymatgen/util creating build/bdist.linux-x86_64/wheel/pymatgen/util/testing copying build/lib.linux-x86_64-cpython-312/pymatgen/util/testing/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util/testing copying build/lib.linux-x86_64-cpython-312/pymatgen/util/string.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/graph_hashing.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/provenance.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/joblib.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/plotly_pd_layouts.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/typing.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/plotting.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/num.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/due.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/coord.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-312/pymatgen/util/structures/CsCl.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/He_BCC.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/NaFePO4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/LiFePO4.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/K2O2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Pb2TiZrO6.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/TiO2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/BaNiO3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/SrTiO3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/SiO2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Si_SiO2_Interface.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Li2O.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Sn.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Li3V2(PO4)3.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/VO2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Li10GeP2S12.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Li2O2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/La2CoO4F.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Si.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/Graphite.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/structures/TlBiSe2.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util/structures copying build/lib.linux-x86_64-cpython-312/pymatgen/util/numba.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/misc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/coord_cython.cpython-312-x86_64-linux-gnu.so -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/plotly_chempot_layouts.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/plotly_interface_rxn_layouts.json -> build/bdist.linux-x86_64/wheel/./pymatgen/util copying build/lib.linux-x86_64-cpython-312/pymatgen/util/io_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/util creating build/bdist.linux-x86_64/wheel/pymatgen/apps creating build/bdist.linux-x86_64/wheel/pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery/conversion_battery.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery/analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery/battery_abc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery/plotter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/battery/insertion_battery.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/battery copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/__init__.py -> 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-312/pymatgen/apps/borg/queen.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/borg copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/borg/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/borg copying build/lib.linux-x86_64-cpython-312/pymatgen/apps/borg/hive.py -> build/bdist.linux-x86_64/wheel/./pymatgen/apps/borg creating build/bdist.linux-x86_64/wheel/pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/pmg.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/pmg_plot.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/get_environment.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/feff_plot_dos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/pmg_structure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/pmg_analyze.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/feff_plot_cross_section.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/pmg_config.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli copying build/lib.linux-x86_64-cpython-312/pymatgen/cli/pmg_potcar.py -> build/bdist.linux-x86_64/wheel/./pymatgen/cli creating build/bdist.linux-x86_64/wheel/pymatgen/phonon copying build/lib.linux-x86_64-cpython-312/pymatgen/phonon/gruneisen.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-312/pymatgen/phonon/ir_spectra.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-312/pymatgen/phonon/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-312/pymatgen/phonon/thermal_displacements.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-312/pymatgen/phonon/bandstructure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-312/pymatgen/phonon/plotter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon copying build/lib.linux-x86_64-cpython-312/pymatgen/phonon/dos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/phonon creating build/bdist.linux-x86_64/wheel/pymatgen/ext copying build/lib.linux-x86_64-cpython-312/pymatgen/ext/matproj.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext copying build/lib.linux-x86_64-cpython-312/pymatgen/ext/matproj_legacy.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext copying build/lib.linux-x86_64-cpython-312/pymatgen/ext/cod.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext copying build/lib.linux-x86_64-cpython-312/pymatgen/ext/optimade.py -> build/bdist.linux-x86_64/wheel/./pymatgen/ext creating build/bdist.linux-x86_64/wheel/pymatgen/vis copying build/lib.linux-x86_64-cpython-312/pymatgen/vis/structure_chemview.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-312/pymatgen/vis/plotters.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-312/pymatgen/vis/ElementColorSchemes.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-312/pymatgen/vis/structure_vtk.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis copying build/lib.linux-x86_64-cpython-312/pymatgen/vis/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/vis creating build/bdist.linux-x86_64/wheel/pymatgen/transformations copying build/lib.linux-x86_64-cpython-312/pymatgen/transformations/standard_transformations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-312/pymatgen/transformations/transformation_abc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-312/pymatgen/transformations/site_transformations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-312/pymatgen/transformations/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/transformations copying build/lib.linux-x86_64-cpython-312/pymatgen/transformations/advanced_transformations.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-312/pymatgen/core/trajectory.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/libxc_docs.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/lattice.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/units.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/molecular_orbitals.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/structure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/bonds.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/reconstructions_archive.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/func_groups.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/tensors.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/composition.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/bond_lengths.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/spectrum.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/periodic_table.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/surface.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/xcfunc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/quad_data.json -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/ion.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/interface.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/periodic_table.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/libxcfunc.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/sites.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core copying build/lib.linux-x86_64-cpython-312/pymatgen/core/operations.py -> build/bdist.linux-x86_64/wheel/./pymatgen/core creating build/bdist.linux-x86_64/wheel/pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/eos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/atomic_subshell_photoionization_cross_sections.csv -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/ferroelectricity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/ferroelectricity/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/ferroelectricity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/ferroelectricity/polarization.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/ferroelectricity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/quasiharmonic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/piezo_sensitivity.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/bonds_jmol_ob.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-312/pymatgen/analysis/solar/am1.5G.dat -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/solar copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/solar/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/solar copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/solar/slme.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/solar copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/dimensionality.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/adsorption.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chempot_diagram.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/energy_models.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-312/pymatgen/analysis/gb/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/gb copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/gb/grain.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/gb creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/xas copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/xas/spectrum.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/xas copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/xas/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/xas copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/prototypes.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/ewald.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/fragmenter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/surface_analysis.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/costdb_elements.csv -> 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-312/pymatgen/analysis/structure_prediction/substitutor.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction/substitution_probability.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-312/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-312/pymatgen/analysis/structure_prediction/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction/volume_predictor.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/structure_prediction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_prediction/dopant_predictor.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-312/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-312/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-312/pymatgen/analysis/cn_opt_params.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interface_reactions.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/ionic_radii.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/local_env.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity/strain.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity/stress.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/elasticity/elastic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/elasticity creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism/default_magmoms.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism/analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism/jahnteller.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/magnetism/heisenberg.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/magnetism creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces/zsl.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces/substrate_analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/interfaces/coherent_interfaces.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/interfaces copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/nmr.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/aflow_prototypes.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/thermochemistry.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/excitation.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/phase_diagram.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/functional_groups.py -> 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/connectivity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity/structure_connectivity.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity/connectivity_finder.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity/connected_components.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/connectivity/environment_nodes.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/connectivity creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/chemenv/coordination_environments copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/coordination_environments/voronoi.py -> 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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/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-312/pymatgen/analysis/chemenv/coordination_environments/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments copying build/lib.linux-x86_64-cpython-312/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-312/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-312/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-312/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/coordination_environments creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils/math_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/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-312/pymatgen/analysis/chemenv/utils/scripts_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils/graph_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils/defs_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils/func_utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils/chemenv_config.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/utils/chemenv_errors.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv/utils copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/chemenv/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/chemenv copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/structure_matcher.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/xps.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/cost.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/molecule_matcher.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/transition_state.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/graphs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/vesta_cutoffs.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/molecule_structure_comparator.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/bvparam_1991.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/disorder.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/topological copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/topological/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/topological copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/topological/spillage.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/topological creating build/bdist.linux-x86_64/wheel/pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction/atomic_scattering_params.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction/neutron_scattering_length.json -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction/xrd.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction/tem.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/diffraction/neutron.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis/diffraction copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/wulff.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/bond_dissociation.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/bond_valence.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/quasirrho.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/piezo.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/hhi_data.csv -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/pourbaix_diagram.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/reaction_calculator.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/hhi.py -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/op_params.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis copying build/lib.linux-x86_64-cpython-312/pymatgen/analysis/icsd_bv.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/analysis creating build/bdist.linux-x86_64/wheel/pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/boltztrap.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/bandstructure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/plotter.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/cohp.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/dos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure copying build/lib.linux-x86_64-cpython-312/pymatgen/electronic_structure/boltztrap2.py -> build/bdist.linux-x86_64/wheel/./pymatgen/electronic_structure creating build/bdist.linux-x86_64/wheel/pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/maggroups.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/symm_data_magnetic.sqlite -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/groups.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/symm_ops.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/analyzer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/structure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/symm_ops.json -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/site_symmetries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/symm_data.json -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/symm_data.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/kpath.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/bandstructure.py -> build/bdist.linux-x86_64/wheel/./pymatgen/symmetry copying build/lib.linux-x86_64-cpython-312/pymatgen/symmetry/settings.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-312/pymatgen/entries/computed_entries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/exp_entries.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/MPCompatibility.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/compatibility.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/entry_tools.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/correction_calculator.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/MITCompatibility.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/mixing_scheme.py -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/exp_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-312/pymatgen/entries/data/nist_gas_gf.json -> build/bdist.linux-x86_64/wheel/./pymatgen/entries/data copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/data/g_els.json -> build/bdist.linux-x86_64/wheel/./pymatgen/entries/data copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/calc_compounds.json.gz -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/entries/MP2020Compatibility.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/entries copying build/lib.linux-x86_64-cpython-312/pymatgen/py.typed -> build/bdist.linux-x86_64/wheel/./pymatgen creating build/bdist.linux-x86_64/wheel/pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/openff.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/template.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/xyz.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-312/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-312/pymatgen/io/aims/sets/base.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets/bs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/sets/magnetism.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims/sets copying build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims copying build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims copying build/lib.linux-x86_64-cpython-312/pymatgen/io/aims/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/aims creating build/bdist.linux-x86_64/wheel/pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem/utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-312/pymatgen/io/qchem/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/qchem copying build/lib.linux-x86_64-cpython-312/pymatgen/io/multiwfn.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/nwchem.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/common.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-312/pymatgen/io/lammps/generators.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/CoeffsDataType.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/data.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/sets.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-312/pymatgen/io/lammps/templates/thermalization.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates/minimization.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates/md.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/templates/msd.template -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps/templates copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lammps/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lammps copying build/lib.linux-x86_64-cpython-312/pymatgen/io/wannier90.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/fiesta.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/adf.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/xr.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/cssr.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/packmol.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/babel.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/phonopy.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/zeopp.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/atat.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/optimade.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lmto.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/cif.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/prismatic.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/xtb copying build/lib.linux-x86_64-cpython-312/pymatgen/io/xtb/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/xtb copying build/lib.linux-x86_64-cpython-312/pymatgen/io/xtb/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/xtb copying build/lib.linux-x86_64-cpython-312/pymatgen/io/xtb/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/xtb creating build/bdist.linux-x86_64/wheel/pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k/utils.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-312/pymatgen/io/cp2k/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/cp2k copying build/lib.linux-x86_64-cpython-312/pymatgen/io/icet.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/xcrysden.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-312/pymatgen/io/vasp/PBE64Base.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/VASPIncarBase.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MatPESStaticSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MPHSERelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MPRelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/PBE54Base.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MPAbsorptionSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MVLRelax52Set.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/optics.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/incar_parameters.json -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MVLGWSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MPSCANRelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/vasp_potcar_pymatgen_hashes.json -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/vasp_potcar_file_hashes.json -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/vdW_parameters.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/potcar-summary-stats.json.bz2 -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/MITRelaxSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/vasp/help.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/vasp copying build/lib.linux-x86_64-cpython-312/pymatgen/io/res.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/core.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/gaussian.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/ase.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/jarvis.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/pwscf.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io copying build/lib.linux-x86_64-cpython-312/pymatgen/io/shengbte.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io creating build/bdist.linux-x86_64/wheel/pymatgen/io/pwmat copying build/lib.linux-x86_64-cpython-312/pymatgen/io/pwmat/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/pwmat copying build/lib.linux-x86_64-cpython-312/pymatgen/io/pwmat/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/pwmat copying build/lib.linux-x86_64-cpython-312/pymatgen/io/pwmat/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/pwmat creating build/bdist.linux-x86_64/wheel/pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/MPXANESSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/MPEXAFSSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/MPELNESSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/MPEXELFSSet.yaml -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/sets.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff copying build/lib.linux-x86_64-cpython-312/pymatgen/io/feff/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/feff creating build/bdist.linux-x86_64/wheel/pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit/abitimer.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit/pseudos.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit/abiobjects.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit/variable.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit copying build/lib.linux-x86_64-cpython-312/pymatgen/io/abinit/netcdf.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/abinit creating build/bdist.linux-x86_64/wheel/pymatgen/io/lobster copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster/lobsterenv.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster copying build/lib.linux-x86_64-cpython-312/pymatgen/io/lobster/__init__.py -> 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-312/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-312/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-312/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-312/pymatgen/io/lobster/outputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/lobster creating build/bdist.linux-x86_64/wheel/pymatgen/io/exciting copying build/lib.linux-x86_64-cpython-312/pymatgen/io/exciting/inputs.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/exciting copying build/lib.linux-x86_64-cpython-312/pymatgen/io/exciting/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/io/exciting creating build/bdist.linux-x86_64/wheel/pymatgen/optimization copying build/lib.linux-x86_64-cpython-312/pymatgen/optimization/linear_assignment.cpython-312-x86_64-linux-gnu.so -> build/bdist.linux-x86_64/wheel/./pymatgen/optimization copying build/lib.linux-x86_64-cpython-312/pymatgen/optimization/__init__.py -> build/bdist.linux-x86_64/wheel/./pymatgen/optimization copying build/lib.linux-x86_64-cpython-312/pymatgen/optimization/neighbors.cpython-312-x86_64-linux-gnu.so -> build/bdist.linux-x86_64/wheel/./pymatgen/optimization copying build/lib.linux-x86_64-cpython-312/pymatgen/dao.py -> build/bdist.linux-x86_64/wheel/./pymatgen running install_egg_info running egg_info writing src/pymatgen.egg-info/PKG-INFO /usr/lib/python3/dist-packages/setuptools/_core_metadata.py:161: 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 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-2024.10.29.egg-info running install_scripts creating build/bdist.linux-x86_64/wheel/pymatgen-2024.10.29.dist-info/WHEEL creating '/build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/.tmp-wzbpsccm/pymatgen-2024.10.29-cp312-cp312-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/OxideTersoffPotentials' adding 'pymatgen/command_line/__init__.py' adding 'pymatgen/command_line/bader_caller.py' adding 'pymatgen/command_line/bush.lib' 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/lewis.lib' adding 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'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/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/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-312-x86_64-linux-gnu.so' adding 'pymatgen/optimization/neighbors.cpython-312-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-312-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/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/util/testing/__init__.py' 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-2024.10.29.dist-info/LICENSE' adding 'pymatgen-2024.10.29.dist-info/METADATA' adding 'pymatgen-2024.10.29.dist-info/WHEEL' adding 'pymatgen-2024.10.29.dist-info/entry_points.txt' adding 'pymatgen-2024.10.29.dist-info/top_level.txt' adding 'pymatgen-2024.10.29.dist-info/RECORD' removing build/bdist.linux-x86_64/wheel Successfully built pymatgen-2024.10.29-cp312-cp312-linux_x86_64.whl I: pybuild plugin_pyproject:144: Unpacking wheel built for python3.12 with "installer" module debian/rules execute_after_dh_auto_build-indep make[1]: Entering directory '/build/reproducible-path/pymatgen-2024.10.29+dfsg1' PYTHONPATH=/build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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 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[ 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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[ 61%] pymatgen.io /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/openff.py:21: UserWarning: To use the pymatgen.io.openff module install openff-toolkit and openff-unitswith `conda install -c conda-forge openff-toolkit openff-units`. warnings.warn( reading sources... [ 63%] pymatgen.io.abinit reading sources... [ 65%] pymatgen.io.aims reading sources... [ 67%] pymatgen.io.aims.sets reading sources... [ 69%] pymatgen.io.cp2k reading sources... [ 71%] pymatgen.io.exciting reading sources... [ 73%] pymatgen.io.feff 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... [ 92%] pymatgen.symmetry reading sources... [ 94%] pymatgen.transformations reading sources... [ 96%] pymatgen.util reading sources... [ 98%] pymatgen.util.testing reading sources... [100%] pymatgen.vis /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.rst:4: WARNING: duplicate object description of pymatgen, other instance in index, use :no-index: for one of them /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/dao.py:docstring of pymatgen.dao:1: WARNING: duplicate object description of pymatgen.dao, other instance in index, use :no-index: for one of them /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/adsorption.py:docstring of pymatgen.analysis.adsorption.AdsorbateSiteFinder.find_adsorption_sites:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/adsorption.py:docstring of pymatgen.analysis.adsorption.AdsorbateSiteFinder.find_adsorption_sites:18: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/dimensionality.py:docstring of pymatgen.analysis.dimensionality.get_dimensionality_cheon:29: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/graphs.py:docstring of pymatgen.analysis.graphs.MoleculeGraph.from_local_env_strategy:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/graphs.py:docstring of pymatgen.analysis.graphs.MoleculeGraph.substitute_group:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/graphs.py:docstring of pymatgen.analysis.graphs.StructureGraph.substitute_group:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/interface_reactions.py:docstring of pymatgen.analysis.interface_reactions.InterfacialReactivity.labels:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:24: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:34: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:39: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:42: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/local_env.py:docstring of pymatgen.analysis.local_env.LocalStructOrderParams:54: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/phase_diagram.py:docstring of pymatgen.analysis.phase_diagram.PDPlotter:23: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/quasiharmonic.py:docstring of pymatgen.analysis.quasiharmonic.QuasiHarmonicDebyeApprox:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/quasiharmonic.py:docstring of pymatgen.analysis.quasiharmonic.QuasiHarmonicDebyeApprox.gruneisen_parameter:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/quasiharmonic.py:docstring of pymatgen.analysis.quasiharmonic.QuasiharmonicDebyeApprox:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/structure_analyzer.py:docstring of pymatgen.analysis.structure_analyzer.VoronoiAnalyzer:11: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/structure_matcher.py:docstring of pymatgen.analysis.structure_matcher.StructureMatcher:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/surface_analysis.py:docstring of pymatgen.analysis.surface_analysis:24: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/wulff.py:docstring of pymatgen.analysis.wulff.WulffShape.shape_factor:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/diffraction/tem.py:docstring of pymatgen.analysis.diffraction.tem.TEMCalculator:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization:34: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization.Polarization:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/ferroelectricity/polarization.py:docstring of pymatgen.analysis.ferroelectricity.polarization.Polarization:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/interfaces/zsl.py:docstring of pymatgen.analysis.interfaces.zsl.ZSLGenerator:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/interfaces/zsl.py:docstring of pymatgen.analysis.interfaces.zsl.ZSLGenerator:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/magnetism/analyzer.py:docstring of pymatgen.analysis.magnetism.analyzer.CollinearMagneticStructureAnalyzer:14: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/analysis/xas/spectrum.py:docstring of pymatgen.analysis.xas.spectrum.XAS.stitch:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/command_line/critic2_caller.py:docstring of pymatgen.command_line.critic2_caller:25: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/ion.py:docstring of pymatgen.core.ion.Ion.to_reduced_dict:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/sites.py:docstring of pymatgen.core.sites.PeriodicSite:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/sites.py:docstring of pymatgen.core.sites.Site:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/structure.py:docstring of pymatgen.core.structure.PeriodicNeighbor:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/surface.py:docstring of pymatgen.core.surface.ReconstructionGenerator:66: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/trajectory.py:docstring of pymatgen.core.trajectory.Trajectory:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/units.py:docstring of pymatgen.core.units:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/core/xcfunc.py:docstring of pymatgen.core.xcfunc.XcFunc:29: ERROR: Unknown target name: "xc". [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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] 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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/electronic_structure/cohp.py:docstring of pymatgen.electronic_structure.cohp.IcohpValue:71: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/electronic_structure/plotter.py:docstring of pymatgen.electronic_structure.plotter.DosPlotter:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/common.py:docstring of pymatgen.io.common.VolumetricData.to_hdf5:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/common.py:docstring of pymatgen.io.common.VolumetricData.to_hdf5:10: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianInput:16: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/gaussian.py:docstring of pymatgen.io.gaussian.GaussianOutput:57: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lmto.py:docstring of pymatgen.io.lmto.LMTOCopl:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/packmol.py:docstring of pymatgen.io.packmol.PackmolBoxGen.get_input_set:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/pwscf.py:docstring of pymatgen.io.pwscf.PWInput:42: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/shengbte.py:docstring of pymatgen.io.shengbte.Control:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cif.py:docstring of pymatgen.io.cif.CifBlock:9: ERROR: Unknown target name: "data". [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/abinit/abitimer.py:docstring of pymatgen.io.abinit.abitimer.AbinitTimerParser.walk:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ShiftMode:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Davidson:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.KpointSet:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Kpoint_Set:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Scf:14: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Scf:19: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/inputs.py:docstring of pymatgen.io.cp2k.inputs.Section.update:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.CellOptSet:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.DftSet:19: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.HybridCellOptSet:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.HybridRelaxSet:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.HybridStaticSet:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.RelaxSet:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/sets.py:docstring of pymatgen.io.cp2k.sets.StaticSet:17: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/cp2k/utils.py:docstring of pymatgen.io.cp2k.utils.preprocessor:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/feff/sets.py:docstring of pymatgen.io.feff.sets.FEFFDictSet:26: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.CombinedData.disassemble:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.ForceField:42: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lammps/data.py:docstring of pymatgen.io.lammps.data.Topology:25: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lammps/inputs.py:docstring of pymatgen.io.lammps.inputs.LammpsInputFile:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lobster/lobsterenv.py:docstring of pymatgen.io.lobster.lobsterenv.LobsterNeighbors:24: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Bandoverlaps:22: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Cohpcar:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Cohpcar:37: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.Grosspop:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/lobster/outputs.py:docstring of pymatgen.io.lobster.outputs.NciCobiList:13: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:64: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:66: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:74: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:81: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/inputs.py:docstring of pymatgen.io.qchem.inputs.QCInput:99: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:97: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:110: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:119: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:127: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.ForceSet:135: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:97: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:110: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:119: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:127: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.FreqSet:135: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:110: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:123: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:132: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:140: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.OptSet:148: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:107: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:128: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:141: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:150: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:158: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:166: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:183: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.QChemDictSet:188: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:99: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:112: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:121: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:129: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:137: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:152: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/qchem/sets.py:docstring of pymatgen.io.qchem.sets.SinglePointSet:157: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Dynmat:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar.read_fermi_contact_shift:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar.read_fermi_contact_shift:11: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.Outcar.read_fermi_contact_shift:11: CRITICAL: Missing matching underline for section title overline. ------------------------------------------------------------- which corresponds to: [[-0.002, -0.002, -0.051, 0.0, -0.052], [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ:3: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ:8: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/io/vasp/outputs.py:docstring of pymatgen.io.vasp.outputs.WSWQ:12: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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 WARNING: Failed to get a method signature for pymatgen.phonon.dos.PhononDos.ind_zero_freq: is not a callable object /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/phonon/plotter.py:docstring of pymatgen.phonon.plotter.PhononDosPlotter:4: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer:7: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.PointGroupAnalyzer.symmetrize_molecule:16: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.SpacegroupAnalyzer.get_symmetry_dataset:10: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/symmetry/analyzer.py:docstring of pymatgen.symmetry.analyzer.iterative_symmetrize:22: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/symmetry/kpath.py:docstring of pymatgen.symmetry.kpath.KPathLatimerMunro:15: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/symmetry/maggroups.py:docstring of pymatgen.symmetry.maggroups.MagneticSpaceGroup:53: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/transformations/advanced_transformations.py:docstring of pymatgen.transformations.advanced_transformations.GrainBoundaryTransformation:34: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/transformations/advanced_transformations.py:docstring of pymatgen.transformations.advanced_transformations.SQSTransformation:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_pymatgen/build/pymatgen/util/plotting.py:docstring of pymatgen.util.plotting.van_arkel_triangle:5: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/docs/apidoc/pymatgen.util.rst:29: ERROR: Unknown target name: "int". [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.util.rst:29: ERROR: Unknown target name: "float". [docutils] /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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] looking for now-outdated files... none found pickling environment... done checking consistency... /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/modules.rst: WARNING: document isn't included in any toctree /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.alchemy.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.alchemy /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.analysis.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.analysis /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.apps.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.apps /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.cli.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.cli /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.command_line.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.command_line /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.core.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.core /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.electronic_structure.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.electronic_structure /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.entries.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.entries /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.ext.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.ext /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.io.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.io /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.optimization.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.optimization /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.phonon.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.phonon /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.symmetry.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.symmetry /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.transformations.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.transformations /build/reproducible-path/pymatgen-2024.10.29+dfsg1/docs/apidoc/pymatgen.util.rst: document is referenced in multiple toctrees: ['index', 'pymatgen'], selecting: pymatgen <- pymatgen.util /build/reproducible-path/pymatgen-2024.10.29+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-2024.10.29+dfsg1/build/html/_static/documentation_options.js Writing evaluated template result to /build/reproducible-path/pymatgen-2024.10.29+dfsg1/build/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/pymatgen-2024.10.29+dfsg1/build/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/pymatgen-2024.10.29+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... [ 27%] pymatgen.analysis.ferroelectricity writing output... [ 29%] pymatgen.analysis.gb writing output... [ 31%] pymatgen.analysis.interfaces writing output... [ 33%] pymatgen.analysis.magnetism writing output... [ 35%] pymatgen.analysis.solar writing output... [ 37%] pymatgen.analysis.structure_prediction writing output... [ 39%] pymatgen.analysis.topological writing output... [ 41%] pymatgen.analysis.xas writing output... [ 43%] pymatgen.apps writing output... [ 45%] pymatgen.apps.battery writing output... [ 47%] pymatgen.apps.borg writing output... [ 49%] pymatgen.cli writing output... [ 51%] pymatgen.command_line writing output... [ 53%] pymatgen.core writing output... [ 55%] pymatgen.electronic_structure writing output... [ 57%] pymatgen.entries writing output... [ 59%] pymatgen.ext writing output... [ 61%] pymatgen.io writing output... [ 63%] pymatgen.io.abinit writing output... [ 65%] pymatgen.io.aims writing output... [ 67%] pymatgen.io.aims.sets writing output... [ 69%] pymatgen.io.cp2k writing output... [ 71%] pymatgen.io.exciting writing output... [ 73%] pymatgen.io.feff 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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+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-2024.10.29+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-2024.10.29+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-2024.10.29+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-2024.10.29+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-2024.10.29+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-2024.10.29+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-2024.10.29+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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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-2024.10.29+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-2024.10.29+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-2024.10.29+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-2024.10.29+dfsg1/.pybuild/cpython3_3.12_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, 649 warnings. The HTML pages are in build/html. make[1]: Leaving directory '/build/reproducible-path/pymatgen-2024.10.29+dfsg1' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/pymatgen-2024.10.29+dfsg1' 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 $3}'`; \ testdir=/build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/test_python$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 3.13.1, pytest-8.3.4, pluggy-1.5.0 rootdir: /build/reproducible-path/pymatgen-2024.10.29+dfsg1 configfile: pyproject.toml plugins: typeguard-4.4.1 collected 2932 items / 281 deselected / 9 skipped / 2651 selected .pybuild/test_python3.13/tests/alchemy/test_filters.py ....... 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[ 89%] .pybuild/test_python3.13/tests/phonon/test_dos.py ................... [ 90%] .pybuild/test_python3.13/tests/phonon/test_gruneisen.py .............. [ 90%] .pybuild/test_python3.13/tests/phonon/test_ir_spectra.py . [ 91%] .pybuild/test_python3.13/tests/phonon/test_plotter.py ........ [ 91%] .pybuild/test_python3.13/tests/phonon/test_thermal_displacements.py .... [ 91%] .......... [ 91%] .pybuild/test_python3.13/tests/symmetry/test_analyzer.py ............... [ 92%] .................. [ 93%] .pybuild/test_python3.13/tests/symmetry/test_groups.py ................. [ 93%] ....... [ 94%] .pybuild/test_python3.13/tests/symmetry/test_kpath_lm.py ... [ 94%] .pybuild/test_python3.13/tests/symmetry/test_kpath_sc.py .. [ 94%] .pybuild/test_python3.13/tests/symmetry/test_kpaths.py .s [ 94%] .pybuild/test_python3.13/tests/symmetry/test_maggroups.py ...... [ 94%] .pybuild/test_python3.13/tests/symmetry/test_settings.py .... [ 94%] .pybuild/test_python3.13/tests/symmetry/test_site_symmetries.py . [ 94%] .pybuild/test_python3.13/tests/test_pkg.py . [ 94%] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py . [ 94%] s..sssss..ssssssss...ssssss....s [ 95%] .pybuild/test_python3.13/tests/transformations/test_site_transformations.py . [ 96%] ..........s...... [ 96%] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py . [ 96%] ...........ssss............ [ 97%] .pybuild/test_python3.13/tests/util/test_coord.py ...................... [ 98%] [ 98%] .pybuild/test_python3.13/tests/util/test_graph_hashing.py .. [ 98%] .pybuild/test_python3.13/tests/util/test_io.py . [ 98%] .pybuild/test_python3.13/tests/util/test_misc.py ...... [ 98%] .pybuild/test_python3.13/tests/util/test_num.py . [ 98%] .pybuild/test_python3.13/tests/util/test_plotting.py .. [ 98%] .pybuild/test_python3.13/tests/util/test_provenance.py ........ [ 99%] .pybuild/test_python3.13/tests/util/test_string.py ........... [ 99%] .pybuild/test_python3.13/tests/util/test_typing.py ..... [ 99%] .pybuild/test_python3.13/tests/vis/test_plotters.py ... [100%] =================================== FAILURES =================================== ______________________ TestPackmolSet.test_chdir_behavior ______________________ self = def test_chdir_behavior(self): """ Make sure the code returns to the starting directory whether or not packmol exits cleanly. """ start_dir = str(Path.cwd()) # this one will not exit cleanly b/c the box is too small pw = PackmolBoxGen().get_input_set( molecules=[ {"name": "water", "number": 1000, "coords": water}, {"name": "ethanol", "number": 2000, "coords": ethanol}, ], box=[0, 0, 0, 2, 2, 2], ) pw.write_input(self.tmp_path) with pytest.raises(ValueError, match=ERR_MSG_173): > pw.run(self.tmp_path) /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/test_python3.13/tests/io/test_packmol.py:180: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ /build/reproducible-path/pymatgen-2024.10.29+dfsg1/.pybuild/test_python3.13/pymatgen/io/packmol.py:62: in run proc = subprocess.run( /usr/lib/python3.13/subprocess.py:556: in run stdout, stderr = process.communicate(input, timeout=timeout) /usr/lib/python3.13/subprocess.py:1219: in communicate stdout, stderr = self._communicate(input, endtime, timeout) /usr/lib/python3.13/subprocess.py:2123: in _communicate self._check_timeout(endtime, orig_timeout, stdout, stderr) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = , endtime = 2146599.104238877 orig_timeout = 30 stdout_seq = [b'\n################################################################################\n\n PACKMOL - Packing optimizati...istance of type 2 : 4.1378928417734553 \n', b' All atoms must be within these coordinates: \n', ...] stderr_seq = [], skip_check_and_raise = False def _check_timeout(self, endtime, orig_timeout, stdout_seq, stderr_seq, skip_check_and_raise=False): """Convenience for checking if a timeout has expired.""" if endtime is None: return if skip_check_and_raise or _time() > endtime: > raise TimeoutExpired( self.args, orig_timeout, output=b''.join(stdout_seq) if stdout_seq else None, stderr=b''.join(stderr_seq) if stderr_seq else None) E subprocess.TimeoutExpired: Command '['packmol']' timed out after 30 seconds /usr/lib/python3.13/subprocess.py:1263: TimeoutExpired ============================= slowest 30 durations ============================= 255.98s call .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py::TestCubicSupercellTransformation::test_apply_transformation_orthorhombic_supercell 170.06s call .pybuild/test_python3.13/tests/electronic_structure/test_plotter.py::TestBSPlotterProjected::test_methods 168.56s call .pybuild/test_python3.13/tests/symmetry/test_kpath_lm.py::TestKPathLatimerMunro::test_kpath_generation 154.95s call .pybuild/test_python3.13/tests/io/vasp/test_optics.py::TestVasprun::test_optics 96.23s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_average_gruneisen 92.66s call .pybuild/test_python3.13/tests/io/test_phonopy.py::TestGruneisen::test_gruneisen_parameter 88.82s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlabGenerator::test_non_stoichiometric_symmetrized_slab 88.38s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_as_from_dict 85.79s call .pybuild/test_python3.13/tests/symmetry/test_kpath_sc.py::TestBandStructureSC::test_kpath_generation 82.86s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_acoustic_debye_temp 79.36s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlab::test_symmetrization 74.32s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_frequencies 70.86s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_debye_temp_phonopy 66.40s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_plot 62.78s call .pybuild/test_python3.13/tests/symmetry/test_groups.py::TestSpaceGroup::test_order_symm_ops 60.13s call .pybuild/test_python3.13/tests/electronic_structure/test_bandstructure.py::TestLobsterBandStructureSymmLine::test_proj_bandstructure_plot 58.57s call .pybuild/test_python3.13/tests/symmetry/test_groups.py::TestSpaceGroup::test_valid_symbol 56.99s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_gruneisen 56.40s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_multi 54.87s call .pybuild/test_python3.13/tests/io/test_common.py::TestPMGDir::test_getitem 46.48s call .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py::TestElasticTensorExpansion::test_get_yield_stress 45.92s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_thermal_conductivity_slack 45.23s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_phdos 44.88s call .pybuild/test_python3.13/tests/core/test_trajectory.py::TestTrajectory::test_conversion 44.19s call .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype 44.11s call .pybuild/test_python3.13/tests/io/lobster/test_lobsterenv.py::TestLobsterNeighbors::test_get_info_cohps_to_neighbors 44.01s call .pybuild/test_python3.13/tests/core/test_trajectory.py::TestTrajectory::test_xdatcar_write 43.42s setup .pybuild/test_python3.13/tests/io/lammps/test_data.py::TestCombinedData::test_as_lammpsdata 43.10s call .pybuild/test_python3.13/tests/entries/test_entry_tools.py::TestEntrySet::test_ground_states 39.84s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_tdos =========================== short test summary info ============================ SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_functional_groups.py:16: could not import 'openbabel': No module named '_openbabel' 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_babel.py:17: could not import 'openbabel.pybel': No module named '_openbabel' 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:9: 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/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:263: enumlib not present SKIPPED [3] .pybuild/test_python3.13/tests/analysis/test_bond_dissociation.py:17: could not import 'openbabel': No module named '_openbabel' SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_fragmenter.py:83: could not import 'openbabel': No module named '_openbabel' SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_fragmenter.py:68: could not import 'openbabel': No module named '_openbabel' SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_fragmenter.py:74: could not import 'openbabel': No module named '_openbabel' SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_fragmenter.py:111: could not import 'openbabel': No module named '_openbabel' SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_fragmenter.py:161: could not import 'openbabel': No module named '_openbabel' SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_graphs.py:347: graphviz executables not present SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_graphs.py:588: could not import 'openbabel': No module named '_openbabel' SKIPPED [2] .pybuild/test_python3.13/tests/analysis/test_local_env.py:294: could not import 'openbabel': No module named '_openbabel' SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_local_env.py:1355: critic2 executable not present SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_matcher.py:157: OBAlign is missing, Skipping SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_matcher.py:164: OBAlign is missing, Skipping SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_matcher.py:176: OBAlign is missing, Skipping SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_matcher.py:243: OBAlign is missing, Skipping SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_matcher.py:250: OBAlign is missing, Skipping SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_matcher.py:257: OBAlign is missing, Skipping SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_matcher.py:264: OBAlign is missing, Skipping SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_structure_comparator.py:144: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:263: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:270: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:278: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:256: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:286: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:119: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:84: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:66: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:134: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_critic2_caller.py:26: critic2 executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_critic2_caller.py:62: critic2 executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_enumlib_caller.py:92: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_enumlib_caller.py:80: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_enumlib_caller.py:122: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:41: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:74: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:181: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:148: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:236: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:272: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:114: gulp not present. 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SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:315: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:356: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:345: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:352: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:363: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:359: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:383: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:373: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:379: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:386: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:67: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:101: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:28: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:51: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:59: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:77: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:89: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_vampire_caller.py:34: vampire executable not present SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:712: Only run this in CI tests SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:105: enumlib or mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1832: chgnet is failing with Numpy 1, see #3992 SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1904: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:985: PMG_MAPI_KEY environment variable not set or MP API is down. This is also the case in a PR. SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1807: chgnet is failing with Numpy 1, see #3992 SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1916: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1927: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1936: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2567: could not import 'tblite': No module named 'tblite' SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2575: 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:252: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:219: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:239: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:167: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:197: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:230: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:99: No FDINT SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:121: No x_trans. SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:201: No x_trans. 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SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_optimade.py:40: MP OPTIMADE is down. SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_optimade.py:93: OPTIMADE providers list is down. SKIPPED [1] .pybuild/test_python3.13/tests/io/qchem/test_outputs.py:350: OpenBabel not installed. SKIPPED [1] .pybuild/test_python3.13/tests/io/test_cif.py:292: non-free PF*.cif test files are not available SKIPPED [1] .pybuild/test_python3.13/tests/io/test_jarvis.py:12: JARVIS-tools not loaded. SKIPPED [1] .pybuild/test_python3.13/tests/io/test_jarvis.py:20: JARVIS-tools not loaded. SKIPPED [1] .pybuild/test_python3.13/tests/io/test_packmol.py:199: could not import 'openbabel': No module named '_openbabel' 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:1469: 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:203: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:229: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:241: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:356: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:296: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:334: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:326: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:344: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:484: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:532: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:541: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:599: mcsqs not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:609: mcsqs not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:630: mcsqs not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:662: icet not installed. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:648: icet not installed. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:673: icet not installed. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:866: hiphive not present SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_site_transformations.py:213: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:227: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:244: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:262: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:268: enum_lib not present. === 1 failed, 2489 passed, 170 skipped, 281 deselected in 5407.37s (1:30:07) === ============================= test session starts ============================== platform linux -- Python 3.12.8, pytest-8.3.4, pluggy-1.5.0 rootdir: /build/reproducible-path/pymatgen-2024.10.29+dfsg1 configfile: pyproject.toml plugins: typeguard-4.4.1 collected 2950 items / 283 deselected / 7 skipped / 2667 selected .pybuild/test_python3.12/tests/alchemy/test_filters.py ....... [ 0%] .pybuild/test_python3.12/tests/alchemy/test_materials.py ......... [ 0%] .pybuild/test_python3.12/tests/alchemy/test_transmuters.py . [ 0%] .pybuild/test_python3.12/tests/analysis/chemenv/connectivity/test_connected_components.py . [ 0%] .... [ 0%] .pybuild/test_python3.12/tests/analysis/chemenv/connectivity/test_environment_nodes.py . [ 0%] .. [ 0%] .pybuild/test_python3.12/tests/analysis/chemenv/connectivity/test_structure_connectivity.py . [ 0%] [ 0%] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_chemenv_strategies.py . [ 1%] . [ 1%] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_coordination_geometries.py . [ 1%] .. [ 1%] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py . [ 1%] ..ss [ 1%] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_structure_environments.py . [ 1%] .. [ 1%] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_voronoi.py . [ 1%] . [ 1%] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_weights.py . [ 1%] ...... [ 1%] .pybuild/test_python3.12/tests/analysis/chemenv/utils/test_chemenv_config.py . [ 1%] [ 1%] .pybuild/test_python3.12/tests/analysis/chemenv/utils/test_coordination_geometry_utils.py . [ 1%] ........... [ 2%] .pybuild/test_python3.12/tests/analysis/chemenv/utils/test_func_utils.py . [ 2%] .. [ 2%] .pybuild/test_python3.12/tests/analysis/chemenv/utils/test_graph_utils.py . [ 2%] ... [ 2%] .pybuild/test_python3.12/tests/analysis/chemenv/utils/test_math_utils.py . [ 2%] ........ [ 2%] .pybuild/test_python3.12/tests/analysis/diffraction/test_neutron.py .. [ 2%] .pybuild/test_python3.12/tests/analysis/diffraction/test_tem.py ........ [ 3%] ............ [ 3%] .pybuild/test_python3.12/tests/analysis/diffraction/test_xrd.py .. [ 3%] .pybuild/test_python3.12/tests/analysis/elasticity/test_elastic.py ..... [ 3%] .................... [ 4%] .pybuild/test_python3.12/tests/analysis/elasticity/test_strain.py ...... [ 4%] .. [ 5%] .pybuild/test_python3.12/tests/analysis/elasticity/test_stress.py . 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[100%] ============================= slowest 30 durations ============================= 6833.68s call .pybuild/test_python3.12/tests/io/test_babel.py::TestBabelMolAdaptor::test_rotor_search_rrs 190.30s call .pybuild/test_python3.12/tests/core/test_surface.py::TestSlab::test_symmetrization 148.31s call .pybuild/test_python3.12/tests/electronic_structure/test_plotter.py::TestBSPlotterProjected::test_methods 141.59s call .pybuild/test_python3.12/tests/io/test_babel.py::TestBabelMolAdaptor::test_confab_conformers 117.86s call .pybuild/test_python3.12/tests/io/test_babel.py::TestBabelMolAdaptor::test_make3d 114.14s call .pybuild/test_python3.12/tests/analysis/test_fragmenter.py::TestFragmentMolecule::test_pc_then_ec_depth_10 96.50s call .pybuild/test_python3.12/tests/core/test_surface.py::TestSlabGenerator::test_non_stoichiometric_symmetrized_slab 90.61s call .pybuild/test_python3.12/tests/core/test_surface.py::TestMillerIndexFinder::test_generate_all_slabs 80.54s call .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py::TestCubicSupercellTransformation::test_apply_transformation_orthorhombic_supercell 75.07s call .pybuild/test_python3.12/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_from_bulk_and_miller 71.51s call .pybuild/test_python3.12/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_plot 67.15s call .pybuild/test_python3.12/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_adsorb_both_surfaces 60.02s call .pybuild/test_python3.12/tests/core/test_surface.py::TestSlab::test_get_symmetric_sites 58.00s call .pybuild/test_python3.12/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_tdos 54.07s call .pybuild/test_python3.12/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_find_adsorption_sites 53.18s call .pybuild/test_python3.12/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_generate_substitution_structures 51.72s call .pybuild/test_python3.12/tests/core/test_trajectory.py::TestTrajectory::test_extend 49.19s call .pybuild/test_python3.12/tests/core/test_trajectory.py::TestTrajectory::test_xdatcar_write 48.08s call .pybuild/test_python3.12/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_generate_adsorption_structures 47.97s call .pybuild/test_python3.12/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_functions 47.87s call .pybuild/test_python3.12/tests/core/test_trajectory.py::TestTrajectory::test_conversion 46.89s call .pybuild/test_python3.12/tests/symmetry/test_kpath_lm.py::TestKPathLatimerMunro::test_kpath_generation 46.50s call .pybuild/test_python3.12/tests/analysis/elasticity/test_elastic.py::TestElasticTensorExpansion::test_get_yield_stress 46.35s call .pybuild/test_python3.12/tests/core/test_surface.py::ReconstructionGeneratorTests::test_build_slab 46.02s call .pybuild/test_python3.12/tests/io/qchem/test_outputs.py::TestQCOutput::test_nbo7_infinite_e2pert 44.75s call .pybuild/test_python3.12/tests/io/lobster/test_lobsterenv.py::TestLobsterNeighbors::test_get_info_cohps_to_neighbors 44.38s call .pybuild/test_python3.12/tests/core/test_trajectory.py::TestTrajectory::test_slice 42.63s call .pybuild/test_python3.12/tests/entries/test_entry_tools.py::TestEntrySet::test_ground_states 42.52s call .pybuild/test_python3.12/tests/cli/test_pmg_plot.py::test_plot_chgint 42.33s call .pybuild/test_python3.12/tests/analysis/test_structure_analyzer.py::TestMiscFunction::test_average_coordination_number =========================== short test summary info ============================ SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap2.py:27: No boltztrap2 SKIPPED [1] .pybuild/test_python3.12/tests/ext/test_cod.py:25: www.crystallography.net is down SKIPPED [1] .pybuild/test_python3.12/tests/ext/test_matproj.py:44: MP API is down SKIPPED [1] .pybuild/test_python3.12/tests/io/test_openff.py:25: could not import 'openff.toolkit': No module named 'openff' SKIPPED [1] .pybuild/test_python3.12/tests/io/test_shengbte.py:9: could not import 'f90nml': No module named 'f90nml' SKIPPED [1] .pybuild/test_python3.12/tests/io/test_zeopp.py:20: zeo not installed SKIPPED [1] .pybuild/test_python3.12/tests/symmetry/test_kpath_hin.py:11: seekpath not installed SKIPPED [1] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py:174: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py:169: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/analysis/magnetism/test_analyzer.py:263: enumlib not present SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_graphs.py:347: graphviz executables not present SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_local_env.py:1355: critic2 executable not present SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_molecule_structure_comparator.py:144: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_surface_analysis.py:263: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_surface_analysis.py:270: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_surface_analysis.py:278: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_surface_analysis.py:256: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/analysis/test_surface_analysis.py:286: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_bader_caller.py:119: bader executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_bader_caller.py:84: bader executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_bader_caller.py:66: bader executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_bader_caller.py:134: bader executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_critic2_caller.py:26: critic2 executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_critic2_caller.py:62: critic2 executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_enumlib_caller.py:92: enum_lib not present. 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SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_mcsqs_caller.py:67: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_mcsqs_caller.py:101: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_mcsqs_caller.py:28: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_mcsqs_caller.py:51: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_mcsqs_caller.py:59: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_mcsqs_caller.py:77: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_mcsqs_caller.py:89: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/command_line/test_vampire_caller.py:34: vampire executable not present SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:712: Only run this in CI tests SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:105: enumlib or mcsqs executable not present SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:1832: chgnet is failing with Numpy 1, see #3992 SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:1904: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:985: PMG_MAPI_KEY environment variable not set or MP API is down. This is also the case in a PR. SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:1807: chgnet is failing with Numpy 1, see #3992 SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:1916: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:1927: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:1936: TODO: #3958 wait for matgl resolve of torch dependency SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:2567: could not import 'tblite': No module named 'tblite' SKIPPED [1] .pybuild/test_python3.12/tests/core/test_structure.py:2575: Pytorch and TBLite clash. https://github.com/materialsproject/pymatgen/pull/3060 SKIPPED [1] .pybuild/test_python3.12/tests/core/test_surface.py:700: This test relies on neighbor orders and is hard coded. Disable temporarily SKIPPED [1] .pybuild/test_python3.12/tests/core/test_xcfunc.py:56: TODO: SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:252: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:219: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:239: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:167: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:197: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:230: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:99: No FDINT SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:121: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:201: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:130: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:114: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:84: No FDINT SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:205: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:139: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:155: No x_trans. SKIPPED [1] .pybuild/test_python3.12/tests/electronic_structure/test_boltztrap.py:41: No x_trans. SKIPPED [19] .pybuild/test_python3.12/tests/electronic_structure/test_plotter.py: No x_trans executable found SKIPPED [1] .pybuild/test_python3.12/tests/ext/test_optimade.py:58: MP OPTIMADE is down. SKIPPED [1] .pybuild/test_python3.12/tests/ext/test_optimade.py:81: At least one MC OPTIMADE API is down. SKIPPED [1] .pybuild/test_python3.12/tests/ext/test_optimade.py:40: MP OPTIMADE is down. SKIPPED [1] .pybuild/test_python3.12/tests/ext/test_optimade.py:93: OPTIMADE providers list is down. SKIPPED [1] .pybuild/test_python3.12/tests/io/test_cif.py:292: non-free PF*.cif test files are not available SKIPPED [1] .pybuild/test_python3.12/tests/io/test_jarvis.py:12: JARVIS-tools not loaded. SKIPPED [1] .pybuild/test_python3.12/tests/io/test_jarvis.py:20: JARVIS-tools not loaded. SKIPPED [1] .pybuild/test_python3.12/tests/io/vasp/test_help.py:22: www.vasp.at is down SKIPPED [1] .pybuild/test_python3.12/tests/io/vasp/test_help.py:31: www.vasp.at is down SKIPPED [1] .pybuild/test_python3.12/tests/io/vasp/test_help.py:37: www.vasp.at is down SKIPPED [1] .pybuild/test_python3.12/tests/io/vasp/test_inputs.py:1469: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.12/tests/symmetry/test_kpaths.py:21: No seek path present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:97: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:158: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:188: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:203: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:229: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:241: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:356: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:296: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:334: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:326: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:344: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:484: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:532: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:541: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:599: mcsqs not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:609: mcsqs not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:630: mcsqs not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:662: icet not installed. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:648: icet not installed. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:673: icet not installed. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_advanced_transformations.py:866: hiphive not present SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_site_transformations.py:213: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_standard_transformations.py:227: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_standard_transformations.py:244: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_standard_transformations.py:262: enum_lib not present. SKIPPED [1] .pybuild/test_python3.12/tests/transformations/test_standard_transformations.py:268: enum_lib not present. ======= 2526 passed, 148 skipped, 283 deselected in 11930.21s (3:18:50) ======== ..tot conformations = 3 ..tot confs tested = 3 ..below energy threshold = 3 make[1]: Leaving directory '/build/reproducible-path/pymatgen-2024.10.29+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 I: pybuild plugin_pyproject:178: Copying package built for python3.12 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 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 == "optional" I: dh_python3 pydist:339: Ignoring complex environment marker: tblite[ase]>=0.3.0; python_version < "3.12" and extra == "tblite" debian/rules execute_after_dh_python3 make[1]: Entering directory '/build/reproducible-path/pymatgen-2024.10.29+dfsg1' dh_numpy3 make[1]: Leaving directory '/build/reproducible-path/pymatgen-2024.10.29+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 ${python3:Depends} unused, but is defined 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 'python-pymatgen-doc' in '../python-pymatgen-doc_2024.10.29+dfsg1-4_all.deb'. dpkg-deb: building package 'python3-pymatgen-dbgsym' in '../python3-pymatgen-dbgsym_2024.10.29+dfsg1-4_amd64.deb'. dpkg-deb: building package 'python3-pymatgen' in '../python3-pymatgen_2024.10.29+dfsg1-4_amd64.deb'. dpkg-genbuildinfo --build=binary -O../pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo dpkg-genchanges --build=binary -O../pymatgen_2024.10.29+dfsg1-4_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-source: info: using options from pymatgen-2024.10.29+dfsg1/debian/source/options: --extend-diff-ignore=^[^/]*[.]egg-info/ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/518480 and its subdirectories I: Current time: Sat Jan 17 17:01:14 -12 2026 I: pbuilder-time-stamp: 1768712474 Sun Dec 15 22:38:15 UTC 2024 I: 1st build successful. Starting 2nd build on remote node ionos11-amd64.debian.net. Sun Dec 15 22:38:15 UTC 2024 I: Preparing to do remote build '2' on ionos11-amd64.debian.net. Mon Dec 16 02:04:50 UTC 2024 I: Deleting $TMPDIR on ionos11-amd64.debian.net. Mon Dec 16 02:04:50 UTC 2024 I: pymatgen_2024.10.29+dfsg1-4_amd64.changes: Format: 1.8 Date: Sun, 24 Nov 2024 14:16:07 +0100 Source: pymatgen Binary: python-pymatgen-doc python3-pymatgen python3-pymatgen-dbgsym Architecture: all amd64 Version: 2024.10.29+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 (2024.10.29+dfsg1-4) unstable; urgency=medium . * replace debian patch neighbor_set_int64.patch with 32bit_indexing_PR4194.patch. Applies upstream PR#4194 to fix indexing on 32-bit systems. * run tests over all supported python versions Checksums-Sha1: 8c27679cd9d17f8310576b699e1c1dae044a9b8c 17575 pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo 29836ccb09e972096de0d7330c2f4f818183bcaa 1260744 python-pymatgen-doc_2024.10.29+dfsg1-4_all.deb 799a297f867852e6db973a89399081cda67e9edf 2365572 python3-pymatgen-dbgsym_2024.10.29+dfsg1-4_amd64.deb 4c5f894f6bbe25e37317cb7452dac09e8b016efe 2598840 python3-pymatgen_2024.10.29+dfsg1-4_amd64.deb Checksums-Sha256: 47c08c82c82906837aad8e6d267dd3282d0e264e5c4393b95be4674213e1415f 17575 pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo ee1e3ed09cb0bd8d9e37fb86842fc3902cc31fac719bed0caa9630927dfab35c 1260744 python-pymatgen-doc_2024.10.29+dfsg1-4_all.deb d68b27ba7e70e5e6718d295cfafd529dab81b2f1fb3ca5b78b080badaf4f47ab 2365572 python3-pymatgen-dbgsym_2024.10.29+dfsg1-4_amd64.deb 78da49b30948a05e5ed41519cc270b7a776687cecc65553acda1fbab15786ff0 2598840 python3-pymatgen_2024.10.29+dfsg1-4_amd64.deb Files: 2f2466a9dc5679da846230dc21bc2902 17575 python optional pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo 965f001b8821059425854a2f096a035d 1260744 doc optional python-pymatgen-doc_2024.10.29+dfsg1-4_all.deb 0777ff2beba638c141458fa65e6bff88 2365572 debug optional python3-pymatgen-dbgsym_2024.10.29+dfsg1-4_amd64.deb 14cac5c60608b47c1468a8a1f345dbab 2598840 python optional python3-pymatgen_2024.10.29+dfsg1-4_amd64.deb Mon Dec 16 02:04:52 UTC 2024 I: diffoscope 284 will be used to compare the two builds: Running as unit: rb-diffoscope-amd64_14-26560.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.7PAXeJch/pymatgen_2024.10.29+dfsg1-4.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.7PAXeJch/pymatgen_2024.10.29+dfsg1-4.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.7PAXeJch/pymatgen_2024.10.29+dfsg1-4.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.7PAXeJch/b1/pymatgen_2024.10.29+dfsg1-4_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.7PAXeJch/b2/pymatgen_2024.10.29+dfsg1-4_amd64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call abc.DotChangesFile ## main (total time: 0.438s) 0.438s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 0.091s) 0.091s 12 calls diffoscope.comparators.binary.FilesystemFile ## specialize (total time: 0.000s) 0.000s 1 call specialize Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 768ms CPU time consumed: 767ms Mon Dec 16 02:04:53 UTC 2024 I: diffoscope 284 found no differences in the changes files, and a .buildinfo file also exists. Mon Dec 16 02:04:53 UTC 2024 I: pymatgen from unstable built successfully and reproducibly on amd64. Mon Dec 16 02:04:54 UTC 2024 I: Submitting .buildinfo files to external archives: Mon Dec 16 02:04:54 UTC 2024 I: Submitting 20K b1/pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo.asc Mon Dec 16 02:04:55 UTC 2024 I: Submitting 20K b2/pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo.asc Mon Dec 16 02:04:55 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Mon Dec 16 02:04:55 UTC 2024 I: Done submitting .buildinfo files. Mon Dec 16 02:04:55 UTC 2024 I: Removing signed pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo.asc files: removed './b1/pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo.asc' removed './b2/pymatgen_2024.10.29+dfsg1-4_amd64.buildinfo.asc'