Sat Mar 8 05:23:16 UTC 2025 I: starting to build python-emmet-core/trixie/amd64 on jenkins on '2025-03-08 05:23' Sat Mar 8 05:23:16 UTC 2025 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_36/51546/console.log Sat Mar 8 05:23:16 UTC 2025 I: Downloading source for trixie/python-emmet-core=0.84.2-2 --2025-03-08 05:23:16-- http://deb.debian.org/debian/pool/main/p/python-emmet-core/python-emmet-core_0.84.2-2.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2595 (2.5K) [text/prs.lines.tag] Saving to: ‘python-emmet-core_0.84.2-2.dsc’ 0K .. 100% 365M=0s 2025-03-08 05:23:16 (365 MB/s) - ‘python-emmet-core_0.84.2-2.dsc’ saved [2595/2595] Sat Mar 8 05:23:16 UTC 2025 I: python-emmet-core_0.84.2-2.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: python-emmet-core Binary: python3-emmet-core Architecture: all Version: 0.84.2-2 Maintainer: Debichem Team Uploaders: Drew Parsons Homepage: https://github.com/materialsproject/emmet Standards-Version: 4.7.0 Vcs-Browser: https://salsa.debian.org/debichem-team/python-emmet-core Vcs-Git: https://salsa.debian.org/debichem-team/python-emmet-core.git Testsuite: autopkgtest Testsuite-Triggers: python3-all, python3-bson, python3-pytest Build-Depends: debhelper-compat (= 13), dh-sequence-python3, pybuild-plugin-pyproject, python3-setuptools, python3-setuptools-scm, python3-all, python3-custodian, python3-pymatgen (>= 2023.10.11~), python3-openmm, python3-mdanalysis (>= 2.7.0~), python3-monty (>= 2024.2.2~), python3-pydantic (>= 2.0~), python3-pydantic-settings (>= 2.0~), python3-pybtex (>= 0.24~), python3-typing-extensions (>= 3.7~), python3-spglib (>= 2.0.1~), python3-numpy, python3-pytest , python3-bson , python3-openbabel Package-List: python3-emmet-core deb python optional arch=all Checksums-Sha1: b2c76701f333d7dc6155c1032c82c562917f23f1 204016 python-emmet-core_0.84.2.orig.tar.gz 43f66e9448e89143d5d3881a3c9c59702936298a 47145204 python-emmet-core_0.84.2-2.debian.tar.xz Checksums-Sha256: cc71e85492449d3245b7a26ba826379b1d8e0de6ee5200c6a6ea7d4f3486ac12 204016 python-emmet-core_0.84.2.orig.tar.gz 1ad1453f31141a588d3de7e5cf92a1240a819a684451f427f2726e6a17cefb58 47145204 python-emmet-core_0.84.2-2.debian.tar.xz Files: 8f6e7a53c82f1562e0d8bad4972a6d12 204016 python-emmet-core_0.84.2.orig.tar.gz 096bd39e6891187577f543cb6adbb605 47145204 python-emmet-core_0.84.2-2.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQIzBAEBCgAdFiEEI8mpPlhYGekSbQo2Vz7x5L1aAfoFAmezBuEACgkQVz7x5L1a AfpXvg/9EXb62OCMUMlBax753fQPWUlsNI+cd9lBMaknYKDaLShCRHgp+Oydcjo7 o7iwTmRabp/mFYdzzxhg6IhHp+yEURqSMtecJ1fS+gCPmnRacILcE0L6zSTc2uRH TsXpldgutacAXTmus8SP9E0XR3Pvl4WjTjJZWQSX9tbXPzFO9nrnRKyKsOd2r2dJ lZFGc3Ecbj9jCjTwpGwfsh9pCMoSWGd5TFROuTHMXdGPWuPnlrNUHej2fimDtzY0 a7eItWlvvA0bzWsur/h1o2NtvYghKoCBl6w7JHYoDwhHD54cx+hj3ekRhkdseF3h M7s3o7RufRUyKFH2fIPJx1KFke45FA1y3MA1NCJW7O6UkpTFsBukGhHWdxxzvuqk voi7HHNHufkhGlwmAtupbM3QUlnvWdbahag5QCz5rxcORdWhYhCBSDqWuuxjiZ5W N/3W7hvEO8OJWjx5d7+fBqR6yBjvtaYUZtKJKNZAcvecEryTiET70ckJZIqk8rgq NB41YqeSyiDKpy0nIOJHrmpeNWzUoM8CDH4PSwUpmNiqGjUzf3tMIDWey6e/WwDR XK90nWj7vdhgpyelu/nNZ1eWzMh7irAnQFJePln/G+vSnXPsktGmWcx7LZhaGHz7 V5XwQZ3LDyw1TjcvGmmOVZ3zeeZaTCcu82f+Pm/TB8vRe1PozkE= =lCNV -----END PGP SIGNATURE----- Sat Mar 8 05:23:16 UTC 2025 I: Checking whether the package is not for us Sat Mar 8 05:23:16 UTC 2025 I: Starting 1st build on remote node infom02-amd64.debian.net. Sat Mar 8 05:23:16 UTC 2025 I: Preparing to do remote build '1' on infom02-amd64.debian.net. Sat Mar 8 05:30:18 UTC 2025 I: Deleting $TMPDIR on infom02-amd64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Thu Apr 9 23:46:18 -12 2026 I: pbuilder-time-stamp: 1775821578 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-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 [python-emmet-core_0.84.2-2.dsc] I: copying [./python-emmet-core_0.84.2.orig.tar.gz] I: copying [./python-emmet-core_0.84.2-2.debian.tar.xz] I: Extracting source dpkg-source: warning: cannot verify inline signature for ./python-emmet-core_0.84.2-2.dsc: unsupported subcommand dpkg-source: info: extracting python-emmet-core in python-emmet-core-0.84.2 dpkg-source: info: unpacking python-emmet-core_0.84.2.orig.tar.gz dpkg-source: info: unpacking python-emmet-core_0.84.2-2.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying skip_tests.patch dpkg-source: info: applying test_files_dir.patch dpkg-source: info: applying backup_version.patch dpkg-source: info: applying fix_floating_point_comparison_PR1167.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2528985/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=12 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='5bcc728fd0d6487abc8fe82ca6f8d123' 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='2528985' 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.RyhMttme/pbuilderrc_9EHL --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.RyhMttme/b1 --logfile b1/build.log python-emmet-core_0.84.2-2.dsc' SUDO_GID='109' SUDO_UID='104' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' I: uname -a Linux infom02-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) 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/2528985/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), dh-sequence-python3, pybuild-plugin-pyproject, python3-setuptools, python3-setuptools-scm, python3-all, python3-custodian, python3-pymatgen (>= 2023.10.11~), python3-openmm, python3-mdanalysis (>= 2.7.0~), python3-monty (>= 2024.2.2~), python3-pydantic (>= 2.0~), python3-pydantic-settings (>= 2.0~), python3-pybtex (>= 0.24~), python3-typing-extensions (>= 3.7~), python3-spglib (>= 2.0.1~), python3-numpy, python3-pytest, python3-bson, python3-openbabel dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19800 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 dh-sequence-python3; however: Package dh-sequence-python3 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-setuptools-scm; however: Package python3-setuptools-scm is not installed. pbuilder-satisfydepends-dummy depends on python3-all; however: Package python3-all is not installed. pbuilder-satisfydepends-dummy depends on python3-custodian; however: Package python3-custodian is not installed. pbuilder-satisfydepends-dummy depends on python3-pymatgen (>= 2023.10.11~); however: Package python3-pymatgen is not installed. pbuilder-satisfydepends-dummy depends on python3-openmm; however: Package python3-openmm is not installed. pbuilder-satisfydepends-dummy depends on python3-mdanalysis (>= 2.7.0~); however: Package python3-mdanalysis is not installed. pbuilder-satisfydepends-dummy depends on python3-monty (>= 2024.2.2~); however: Package python3-monty is not installed. pbuilder-satisfydepends-dummy depends on python3-pydantic (>= 2.0~); however: Package python3-pydantic is not installed. pbuilder-satisfydepends-dummy depends on python3-pydantic-settings (>= 2.0~); however: Package python3-pydantic-settings is not installed. pbuilder-satisfydepends-dummy depends on python3-pybtex (>= 0.24~); however: Package python3-pybtex is not installed. pbuilder-satisfydepends-dummy depends on python3-typing-extensions (>= 3.7~); however: Package python3-typing-extensions is not installed. pbuilder-satisfydepends-dummy depends on python3-spglib (>= 2.0.1~); however: Package python3-spglib is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-pytest; however: Package python3-pytest is not installed. pbuilder-satisfydepends-dummy depends on python3-bson; however: Package python3-bson is not installed. pbuilder-satisfydepends-dummy depends on python3-openbabel; however: Package python3-openbabel 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} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} dwz{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-font-awesome{a} fonts-lato{a} fonts-lyx{a} fonts-urw-base35{a} gettext{a} gettext-base{a} groff-base{a} intltool-debian{a} libarchive-zip-perl{a} libblas3{a} libbrotli1{a} libcairo2{a} libdebhelper-perl{a} libdeflate0{a} libelf1t64{a} libexpat1{a} libffi8{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfontenc1{a} libfreetype6{a} libfribidi0{a} libgcrypt20{a} libgfortran5{a} libglib2.0-0t64{a} libgpg-error0{a} libgraphite2-3{a} libharfbuzz0b{a} libicu72{a} libimagequant0{a} libinchi1.07{a} libjbig0{a} libjpeg62-turbo{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} liblerc4{a} libmaeparser1{a} libmagic-mgc{a} libmagic1t64{a} libopenbabel7{a} libopenjp2-7{a} libopenmm-dev{a} libopenmm8.1{a} libpipeline1{a} libpixman-1-0{a} libpng16-16t64{a} libproc2-0{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} libreadline8t64{a} libsharpyuv0{a} libsymspg2{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb-render0{a} libxcb-shm0{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxrender1{a} libxslt1.1{a} libxss1{a} libyaml-0-2{a} m4{a} man-db{a} media-types{a} netbase{a} openssl{a} po-debconf{a} procps{a} pybuild-plugin-pyproject{a} python-matplotlib-data{a} python3{a} python3-all{a} python3-annotated-types{a} python3-attr{a} python3-autocommand{a} python3-biopython{a} python3-brotli{a} python3-bson{a} python3-build{a} python3-cairo{a} python3-certifi{a} python3-chardet{a} python3-charset-normalizer{a} python3-citeproc{a} python3-contourpy{a} python3-custodian{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dnspython{a} python3-dotenv{a} python3-duecredit{a} python3-email-validator{a} python3-fasteners{a} python3-fastjsonschema{a} python3-fonttools{a} python3-freetype{a} python3-fs{a} python3-griddataformats{a} python3-idna{a} python3-inflect{a} python3-iniconfig{a} python3-installer{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-joblib{a} python3-jsonschema{a} python3-jsonschema-specifications{a} python3-jupyter-core{a} python3-kiwisolver{a} python3-latexcodec{a} python3-looseversion{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-mda-xdrlib{a} python3-mdanalysis{a} python3-minimal{a} python3-mmtf{a} python3-monotonic{a} python3-monty{a} python3-more-itertools{a} python3-mpmath{a} python3-mrcfile{a} python3-msgpack{a} python3-nbformat{a} python3-networkx{a} python3-numpy{a} python3-numpy-dev{a} python3-openbabel{a} python3-openmm{a} python3-packaging{a} python3-palettable{a} python3-pandas{a} python3-pandas-lib{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-plotly{a} python3-pluggy{a} python3-psutil{a} python3-pybtex{a} python3-pydantic{a} python3-pydantic-core{a} python3-pydantic-settings{a} python3-pymatgen{a} python3-pyparsing{a} python3-pyproject-hooks{a} python3-pytest{a} python3-pytz{a} python3-referencing{a} python3-reportlab{a} python3-requests{a} python3-rlpycairo{a} python3-rpds-py{a} python3-ruamel.yaml{a} python3-ruamel.yaml.clib{a} python3-scipy{a} python3-sentry-sdk{a} python3-setuptools{a} python3-setuptools-scm{a} python3-six{a} python3-spglib{a} python3-sympy{a} python3-tabulate{a} python3-tenacity{a} python3-threadpoolctl{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-wheel{a} python3-yaml{a} python3-zipp{a} python3.12-tk{a} python3.13{a} python3.13-minimal{a} python3.13-tk{a} readline-common{a} sensible-utils{a} sgml-base{a} sphinx-rtd-theme-common{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} w3c-sgml-lib{a} x11-common{a} xfonts-encodings{a} xfonts-utils{a} xml-core{a} The following packages are RECOMMENDED but will NOT be installed: curl fonts-dejavu-extra isympy-common javascript-common libarchive-cpio-perl libglib2.0-data libgpg-error-l10n libltdl-dev libmail-sendmail-perl linux-sysctl-defaults lynx ncbi-blast+ psmisc python-biopython-doc python-monty-doc python3-ase python3-bottleneck python3-bs4 python3-bson-ext python3-cryptography python3-cssselect python3-fqdn python3-gdal python3-h2 python3-html5lib python3-httpcore python3-httpx python3-isoduration python3-jinja2 python3-json-pointer python3-numexpr python3-odf python3-olefile python3-openpyxl python3-paraview python3-pooch python3-pydot python3-pygments python3-pygraphviz python3-rfc3339-validator python3-rfc3986-validator python3-rfc3987 python3-sklearn python3-tables python3-tomli python3-torch python3-uritemplate python3-vtk9 python3-webcolors shared-mime-info wget xdg-user-dirs 0 packages upgraded, 237 newly installed, 0 to remove and 0 not upgraded. Need to get 187 MB of archives. After unpacking 845 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main amd64 fonts-lato all 2.015-1 [2780 kB] Get: 2 http://deb.debian.org/debian trixie/main amd64 libpython3.13-minimal amd64 3.13.2-1 [859 kB] Get: 3 http://deb.debian.org/debian trixie/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 4 http://deb.debian.org/debian trixie/main amd64 python3.13-minimal amd64 3.13.2-1 [2205 kB] Get: 5 http://deb.debian.org/debian trixie/main amd64 python3-minimal amd64 3.13.2-1 [27.1 kB] Get: 6 http://deb.debian.org/debian trixie/main amd64 media-types all 12.0.0 [28.9 kB] Get: 7 http://deb.debian.org/debian trixie/main amd64 netbase all 6.4 [12.8 kB] Get: 8 http://deb.debian.org/debian trixie/main amd64 tzdata all 2025a-2 [259 kB] Get: 9 http://deb.debian.org/debian trixie/main amd64 libffi8 amd64 3.4.7-1 [23.9 kB] Get: 10 http://deb.debian.org/debian trixie/main amd64 readline-common all 8.2-6 [69.4 kB] Get: 11 http://deb.debian.org/debian trixie/main amd64 libreadline8t64 amd64 8.2-6 [169 kB] Get: 12 http://deb.debian.org/debian trixie/main amd64 libpython3.13-stdlib amd64 3.13.2-1 [1979 kB] Get: 13 http://deb.debian.org/debian trixie/main amd64 python3.13 amd64 3.13.2-1 [745 kB] Get: 14 http://deb.debian.org/debian trixie/main amd64 libpython3-stdlib amd64 3.13.2-1 [10.0 kB] Get: 15 http://deb.debian.org/debian trixie/main amd64 python3 amd64 3.13.2-1 [28.1 kB] Get: 16 http://deb.debian.org/debian trixie/main amd64 python3-numpy-dev amd64 1:2.2.3+ds-2+b1 [138 kB] Get: 17 http://deb.debian.org/debian trixie/main amd64 libblas3 amd64 3.12.1-2 [160 kB] Get: 18 http://deb.debian.org/debian trixie/main amd64 libgfortran5 amd64 14.2.0-17 [836 kB] Get: 19 http://deb.debian.org/debian trixie/main amd64 liblapack3 amd64 3.12.1-2 [2452 kB] Get: 20 http://deb.debian.org/debian trixie/main amd64 python3-numpy amd64 1:2.2.3+ds-2+b1 [5081 kB] Get: 21 http://deb.debian.org/debian trixie/main amd64 sgml-base all 1.31 [15.4 kB] Get: 22 http://deb.debian.org/debian trixie/main amd64 libproc2-0 amd64 2:4.0.4-7 [64.9 kB] Get: 23 http://deb.debian.org/debian trixie/main amd64 procps amd64 2:4.0.4-7 [878 kB] Get: 24 http://deb.debian.org/debian trixie/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 25 http://deb.debian.org/debian trixie/main amd64 openssl amd64 3.4.1-1 [1427 kB] Get: 26 http://deb.debian.org/debian trixie/main amd64 ca-certificates all 20241223 [164 kB] Get: 27 http://deb.debian.org/debian trixie/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 28 http://deb.debian.org/debian trixie/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 29 http://deb.debian.org/debian trixie/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 30 http://deb.debian.org/debian trixie/main amd64 gettext-base amd64 0.23.1-1 [243 kB] Get: 31 http://deb.debian.org/debian trixie/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 32 http://deb.debian.org/debian trixie/main amd64 groff-base amd64 1.23.0-7 [1185 kB] Get: 33 http://deb.debian.org/debian trixie/main amd64 bsdextrautils amd64 2.40.4-5 [92.4 kB] Get: 34 http://deb.debian.org/debian trixie/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 35 http://deb.debian.org/debian trixie/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 36 http://deb.debian.org/debian trixie/main amd64 m4 amd64 1.4.19-7 [294 kB] Get: 37 http://deb.debian.org/debian trixie/main amd64 autoconf all 2.72-3 [493 kB] Get: 38 http://deb.debian.org/debian trixie/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 39 http://deb.debian.org/debian trixie/main amd64 automake all 1:1.17-3 [862 kB] Get: 40 http://deb.debian.org/debian trixie/main amd64 autopoint all 0.23.1-1 [770 kB] Get: 41 http://deb.debian.org/debian trixie/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1042 kB] Get: 42 http://deb.debian.org/debian trixie/main amd64 libbrotli1 amd64 1.1.0-2+b7 [307 kB] Get: 43 http://deb.debian.org/debian trixie/main amd64 libpng16-16t64 amd64 1.6.47-1 [282 kB] Get: 44 http://deb.debian.org/debian trixie/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get: 45 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 46 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 47 http://deb.debian.org/debian trixie/main amd64 libfontenc1 amd64 1:1.1.8-1+b2 [23.3 kB] Get: 48 http://deb.debian.org/debian trixie/main amd64 x11-common all 1:7.7+24 [217 kB] Get: 49 http://deb.debian.org/debian trixie/main amd64 xfonts-encodings all 1:1.0.4-2.2 [577 kB] Get: 50 http://deb.debian.org/debian trixie/main amd64 xfonts-utils amd64 1:7.7+7 [93.3 kB] Get: 51 http://deb.debian.org/debian trixie/main amd64 fonts-urw-base35 all 20200910-8 [10.8 MB] Get: 52 http://deb.debian.org/debian trixie/main amd64 fontconfig-config amd64 2.15.0-2 [317 kB] Get: 53 http://deb.debian.org/debian trixie/main amd64 libfontconfig1 amd64 2.15.0-2 [391 kB] Get: 54 http://deb.debian.org/debian trixie/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get: 55 http://deb.debian.org/debian trixie/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get: 56 http://deb.debian.org/debian trixie/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get: 57 http://deb.debian.org/debian trixie/main amd64 libx11-data all 2:1.8.10-2 [337 kB] Get: 58 http://deb.debian.org/debian trixie/main amd64 libx11-6 amd64 2:1.8.10-2 [813 kB] Get: 59 http://deb.debian.org/debian trixie/main amd64 libxrender1 amd64 1:0.9.10-1.1+b4 [27.8 kB] Get: 60 http://deb.debian.org/debian trixie/main amd64 libxft2 amd64 2.3.6-1+b4 [54.5 kB] Get: 61 http://deb.debian.org/debian trixie/main amd64 libxext6 amd64 2:1.3.4-1+b3 [50.4 kB] Get: 62 http://deb.debian.org/debian trixie/main amd64 libxss1 amd64 1:1.2.3-1+b3 [17.0 kB] Get: 63 http://deb.debian.org/debian trixie/main amd64 libtk8.6 amd64 8.6.16-1 [793 kB] Get: 64 http://deb.debian.org/debian trixie/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-7 [586 kB] Get: 65 http://deb.debian.org/debian trixie/main amd64 blt amd64 2.5.3+dfsg-7 [6024 B] Get: 66 http://deb.debian.org/debian trixie/main amd64 libdebhelper-perl all 13.24.1 [90.9 kB] Get: 67 http://deb.debian.org/debian trixie/main amd64 libtool all 2.5.4-3 [539 kB] Get: 68 http://deb.debian.org/debian trixie/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 69 http://deb.debian.org/debian trixie/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 70 http://deb.debian.org/debian trixie/main amd64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get: 71 http://deb.debian.org/debian trixie/main amd64 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get: 72 http://deb.debian.org/debian trixie/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 73 http://deb.debian.org/debian trixie/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 74 http://deb.debian.org/debian trixie/main amd64 libunistring5 amd64 1.3-1 [476 kB] Get: 75 http://deb.debian.org/debian trixie/main amd64 libicu72 amd64 72.1-6 [9421 kB] Get: 76 http://deb.debian.org/debian trixie/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b2 [699 kB] Get: 77 http://deb.debian.org/debian trixie/main amd64 gettext amd64 0.23.1-1 [1680 kB] Get: 78 http://deb.debian.org/debian trixie/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 79 http://deb.debian.org/debian trixie/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 80 http://deb.debian.org/debian trixie/main amd64 debhelper all 13.24.1 [920 kB] Get: 81 http://deb.debian.org/debian trixie/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 82 http://deb.debian.org/debian trixie/main amd64 python3-more-itertools all 10.6.0-1 [65.3 kB] Get: 83 http://deb.debian.org/debian trixie/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 84 http://deb.debian.org/debian trixie/main amd64 python3-typeguard all 4.4.2-1 [37.3 kB] Get: 85 http://deb.debian.org/debian trixie/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 86 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.context all 6.0.1-1 [8276 B] Get: 87 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 88 http://deb.debian.org/debian trixie/main amd64 python3-pkg-resources all 75.8.0-1 [222 kB] Get: 89 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 90 http://deb.debian.org/debian trixie/main amd64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 91 http://deb.debian.org/debian trixie/main amd64 python3-setuptools all 75.8.0-1 [724 kB] Get: 92 http://deb.debian.org/debian trixie/main amd64 dh-python all 6.20250108 [113 kB] Get: 93 http://deb.debian.org/debian trixie/main amd64 fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [517 kB] Get: 94 http://deb.debian.org/debian trixie/main amd64 fonts-lyx all 2.4.3-1 [190 kB] Get: 95 http://deb.debian.org/debian trixie/main amd64 libpixman-1-0 amd64 0.44.0-3 [248 kB] Get: 96 http://deb.debian.org/debian trixie/main amd64 libxcb-render0 amd64 1.17.0-2+b1 [115 kB] Get: 97 http://deb.debian.org/debian trixie/main amd64 libxcb-shm0 amd64 1.17.0-2+b1 [105 kB] Get: 98 http://deb.debian.org/debian trixie/main amd64 libcairo2 amd64 1.18.2-2 [535 kB] Get: 99 http://deb.debian.org/debian trixie/main amd64 libdeflate0 amd64 1.23-1+b1 [47.5 kB] Get: 100 http://deb.debian.org/debian trixie/main amd64 libfribidi0 amd64 1.0.16-1 [26.5 kB] Get: 101 http://deb.debian.org/debian trixie/main amd64 libgpg-error0 amd64 1.51-3 [82.2 kB] Get: 102 http://deb.debian.org/debian trixie/main amd64 libgcrypt20 amd64 1.11.0-7 [843 kB] Get: 103 http://deb.debian.org/debian trixie/main amd64 libglib2.0-0t64 amd64 2.83.4-1 [1512 kB] Get: 104 http://deb.debian.org/debian trixie/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB] Get: 105 http://deb.debian.org/debian trixie/main amd64 libharfbuzz0b amd64 10.2.0-1 [479 kB] Get: 106 http://deb.debian.org/debian trixie/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB] Get: 107 http://deb.debian.org/debian trixie/main amd64 libinchi1.07 amd64 1.07.3+dfsg-1 [557 kB] Get: 108 http://deb.debian.org/debian trixie/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB] Get: 109 http://deb.debian.org/debian trixie/main amd64 libjpeg62-turbo amd64 1:2.1.5-3.1 [168 kB] Get: 110 http://deb.debian.org/debian trixie/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 111 http://deb.debian.org/debian trixie/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 112 http://deb.debian.org/debian trixie/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 113 http://deb.debian.org/debian trixie/main amd64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB] Get: 114 http://deb.debian.org/debian trixie/main amd64 liblbfgsb0 amd64 3.0+dfsg.4-1+b2 [29.4 kB] Get: 115 http://deb.debian.org/debian trixie/main amd64 liblcms2-2 amd64 2.16-2 [160 kB] Get: 116 http://deb.debian.org/debian trixie/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB] Get: 117 http://deb.debian.org/debian trixie/main amd64 libmaeparser1 amd64 1.3.1-1+b2 [94.0 kB] Get: 118 http://deb.debian.org/debian trixie/main amd64 libopenbabel7 amd64 3.1.1+dfsg-11+b3 [3253 kB] Get: 119 http://deb.debian.org/debian trixie/main amd64 libopenjp2-7 amd64 2.5.3-1 [204 kB] Get: 120 http://deb.debian.org/debian trixie/main amd64 libopenmm8.1 amd64 8.1.2+dfsg-4+b1 [1058 kB] Get: 121 http://deb.debian.org/debian trixie/main amd64 libopenmm-dev amd64 8.1.2+dfsg-4+b1 [346 kB] Get: 122 http://deb.debian.org/debian trixie/main amd64 libpython3.13 amd64 3.13.2-1 [2151 kB] Get: 123 http://deb.debian.org/debian trixie/main amd64 libqhull-r8.0 amd64 2020.2-6+b2 [248 kB] Get: 124 http://deb.debian.org/debian trixie/main amd64 libraqm0 amd64 0.10.2-1 [13.9 kB] Get: 125 http://deb.debian.org/debian trixie/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [116 kB] Get: 126 http://deb.debian.org/debian trixie/main amd64 libsymspg2 amd64 2.5.0-2+b2 [197 kB] Get: 127 http://deb.debian.org/debian trixie/main amd64 libwebp7 amd64 1.5.0-0.1 [318 kB] Get: 128 http://deb.debian.org/debian trixie/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB] Get: 129 http://deb.debian.org/debian trixie/main amd64 libwebpdemux2 amd64 1.5.0-0.1 [113 kB] Get: 130 http://deb.debian.org/debian trixie/main amd64 libwebpmux3 amd64 1.5.0-0.1 [126 kB] Get: 131 http://deb.debian.org/debian trixie/main amd64 libxslt1.1 amd64 1.1.35-1.1+b1 [233 kB] Get: 132 http://deb.debian.org/debian trixie/main amd64 libyaml-0-2 amd64 0.2.5-2 [52.5 kB] Get: 133 http://deb.debian.org/debian trixie/main amd64 python3-packaging all 24.2-1 [55.3 kB] Get: 134 http://deb.debian.org/debian trixie/main amd64 python3-pyproject-hooks all 1.2.0-1 [11.7 kB] Get: 135 http://deb.debian.org/debian trixie/main amd64 python3-toml all 0.10.2-1 [16.2 kB] Get: 136 http://deb.debian.org/debian trixie/main amd64 python3-wheel all 0.45.1-1 [56.7 kB] Get: 137 http://deb.debian.org/debian trixie/main amd64 python3-build all 1.2.2-1 [36.0 kB] Get: 138 http://deb.debian.org/debian trixie/main amd64 python3-installer all 0.7.0+dfsg1-3 [18.6 kB] Get: 139 http://deb.debian.org/debian trixie/main amd64 pybuild-plugin-pyproject all 6.20250108 [11.6 kB] Get: 140 http://deb.debian.org/debian trixie/main amd64 python-matplotlib-data all 3.8.3-7 [2735 kB] Get: 141 http://deb.debian.org/debian trixie/main amd64 python3-all amd64 3.13.2-1 [1048 B] Get: 142 http://deb.debian.org/debian trixie/main amd64 python3-annotated-types all 0.7.0-1 [18.8 kB] Get: 143 http://deb.debian.org/debian trixie/main amd64 python3-attr all 25.1.0-1 [68.7 kB] Get: 144 http://deb.debian.org/debian trixie/main amd64 python3-chardet all 5.2.0+dfsg-2 [108 kB] Get: 145 http://deb.debian.org/debian trixie/main amd64 python3.12-tk amd64 3.12.9-1 [113 kB] Get: 146 http://deb.debian.org/debian trixie/main amd64 python3.13-tk amd64 3.13.2-1 [103 kB] Get: 147 http://deb.debian.org/debian trixie/main amd64 python3-tk amd64 3.13.1-1+b1 [9760 B] Get: 148 http://deb.debian.org/debian trixie/main amd64 python3-pil.imagetk amd64 11.1.0-5+b1 [81.6 kB] Get: 149 http://deb.debian.org/debian trixie/main amd64 python3-pil amd64 11.1.0-5+b1 [513 kB] Get: 150 http://deb.debian.org/debian trixie/main amd64 python3-cairo amd64 1.26.1-2+b2 [114 kB] Get: 151 http://deb.debian.org/debian trixie/main amd64 python3-freetype all 2.5.1-1 [89.3 kB] Get: 152 http://deb.debian.org/debian trixie/main amd64 python3-rlpycairo all 0.3.0-3 [9904 B] Get: 153 http://deb.debian.org/debian trixie/main amd64 python3-reportlab all 4.3.1-1 [1158 kB] Get: 154 http://deb.debian.org/debian trixie/main amd64 xml-core all 0.19 [20.1 kB] Get: 155 http://deb.debian.org/debian trixie/main amd64 w3c-sgml-lib all 1.3-3 [273 kB] Get: 156 http://deb.debian.org/debian trixie/main amd64 python3-biopython amd64 1.85+dfsg-2+b1 [1672 kB] Get: 157 http://deb.debian.org/debian trixie/main amd64 python3-brotli amd64 1.1.0-2+b7 [320 kB] Get: 158 http://deb.debian.org/debian trixie/main amd64 python3-bson all 4.10.1-5 [87.1 kB] Get: 159 http://deb.debian.org/debian trixie/main amd64 python3-certifi all 2025.1.31+ds-1 [9652 B] Get: 160 http://deb.debian.org/debian trixie/main amd64 python3-charset-normalizer amd64 3.4.1-1+b1 [125 kB] Get: 161 http://deb.debian.org/debian trixie/main amd64 python3-lxml amd64 5.3.1-1+b1 [1288 kB] Get: 162 http://deb.debian.org/debian trixie/main amd64 python3-citeproc all 0.7.0-1 [98.3 kB] Get: 163 http://deb.debian.org/debian trixie/main amd64 python3-contourpy amd64 1.3.1-1+b1 [216 kB] Get: 164 http://deb.debian.org/debian trixie/main amd64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 165 http://deb.debian.org/debian trixie/main amd64 python3-pytz all 2025.1-3 [150 kB] Get: 166 http://deb.debian.org/debian trixie/main amd64 python3-tz all 2025.1-3 [4004 B] Get: 167 http://deb.debian.org/debian trixie/main amd64 python3-pandas-lib amd64 2.2.3+dfsg-8+b1 [4517 kB] Get: 168 http://deb.debian.org/debian trixie/main amd64 python3-pandas all 2.2.3+dfsg-8 [3097 kB] Get: 169 http://deb.debian.org/debian trixie/main amd64 python3-pydantic-core amd64 2.27.2-1+b2 [1502 kB] Get: 170 http://deb.debian.org/debian trixie/main amd64 python3-dnspython all 2.6.1-1 [161 kB] Get: 171 http://deb.debian.org/debian trixie/main amd64 python3-idna all 3.10-1 [42.0 kB] Get: 172 http://deb.debian.org/debian trixie/main amd64 python3-email-validator all 2.2.0-1 [31.6 kB] Get: 173 http://deb.debian.org/debian trixie/main amd64 python3-pydantic amd64 2.10.6-1 [346 kB] Get: 174 http://deb.debian.org/debian trixie/main amd64 python3-tqdm all 4.67.1-2 [91.1 kB] Get: 175 http://deb.debian.org/debian trixie/main amd64 python3-ruamel.yaml.clib amd64 0.2.12+ds-1+b1 [135 kB] Get: 176 http://deb.debian.org/debian trixie/main amd64 python3-ruamel.yaml all 0.18.10+ds-1 [147 kB] Get: 177 http://deb.debian.org/debian trixie/main amd64 python3-monty all 2025.1.9-1 [45.7 kB] Get: 178 http://deb.debian.org/debian trixie/main amd64 python3-psutil amd64 5.9.8-2 [225 kB] Get: 179 http://deb.debian.org/debian trixie/main amd64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 180 http://deb.debian.org/debian trixie/main amd64 python3-cycler all 0.12.1-1 [9496 B] Get: 181 http://deb.debian.org/debian trixie/main amd64 python3-platformdirs all 4.3.6-1 [16.6 kB] Get: 182 http://deb.debian.org/debian trixie/main amd64 python3-fs all 2.4.16-6 [95.1 kB] Get: 183 http://deb.debian.org/debian trixie/main amd64 python3-lz4 amd64 4.4.0+dfsg-1+b1 [25.5 kB] Get: 184 http://deb.debian.org/debian trixie/main amd64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 185 http://deb.debian.org/debian trixie/main amd64 python3-scipy amd64 1.14.1-4+b1 [17.1 MB] Get: 186 http://deb.debian.org/debian trixie/main amd64 python3-mpmath all 1.3.0-1 [419 kB] Get: 187 http://deb.debian.org/debian trixie/main amd64 python3-sympy all 1.13.3-5 [4148 kB] Get: 188 http://deb.debian.org/debian trixie/main amd64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB] Get: 189 http://deb.debian.org/debian trixie/main amd64 unicode-data all 15.1.0-1 [8547 kB] Get: 190 http://deb.debian.org/debian trixie/main amd64 python3-fonttools amd64 4.55.3-2+b1 [1448 kB] Get: 191 http://deb.debian.org/debian trixie/main amd64 python3-kiwisolver amd64 1.4.7-3+b1 [62.0 kB] Get: 192 http://deb.debian.org/debian trixie/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB] Get: 193 http://deb.debian.org/debian trixie/main amd64 python3-urllib3 all 2.3.0-1 [114 kB] Get: 194 http://deb.debian.org/debian trixie/main amd64 python3-sentry-sdk all 2.18.0-1 [236 kB] Get: 195 http://deb.debian.org/debian trixie/main amd64 python3-custodian all 2024.10.16-1 [95.9 kB] Get: 196 http://deb.debian.org/debian trixie/main amd64 python3-dotenv all 1.0.1-1 [26.6 kB] Get: 197 http://deb.debian.org/debian trixie/main amd64 python3-looseversion all 1.3.0-3 [8964 B] Get: 198 http://deb.debian.org/debian trixie/main amd64 python3-requests all 2.32.3+dfsg-4 [72.1 kB] Get: 199 http://deb.debian.org/debian trixie/main amd64 python3-duecredit all 0.10.2-2 [70.6 kB] Get: 200 http://deb.debian.org/debian trixie/main amd64 python3-monotonic all 1.6-3 [5340 B] Get: 201 http://deb.debian.org/debian trixie/main amd64 python3-fasteners all 0.18-2 [14.0 kB] Get: 202 http://deb.debian.org/debian trixie/main amd64 python3-fastjsonschema all 2.21.1-1 [22.4 kB] Get: 203 http://deb.debian.org/debian trixie/main amd64 sphinx-rtd-theme-common all 3.0.2+dfsg-2 [1023 kB] Get: 204 http://deb.debian.org/debian trixie/main amd64 python3-mrcfile all 1.5.4-2 [118 kB] Get: 205 http://deb.debian.org/debian trixie/main amd64 python3-griddataformats all 1.0.2-2 [2048 kB] Get: 206 http://deb.debian.org/debian trixie/main amd64 python3-iniconfig all 1.1.1-2 [6396 B] Get: 207 http://deb.debian.org/debian trixie/main amd64 python3-joblib all 1.4.2-3 [216 kB] Get: 208 http://deb.debian.org/debian trixie/main amd64 python3-rpds-py amd64 0.21.0-2+b1 [257 kB] Get: 209 http://deb.debian.org/debian trixie/main amd64 python3-referencing all 0.35.1-2 [23.5 kB] Get: 210 http://deb.debian.org/debian trixie/main amd64 python3-jsonschema-specifications all 2023.12.1-2 [9020 B] Get: 211 http://deb.debian.org/debian trixie/main amd64 python3-jsonschema all 4.19.2-6 [71.4 kB] Get: 212 http://deb.debian.org/debian trixie/main amd64 python3-traitlets all 5.14.3+really5.14.3-1 [70.9 kB] Get: 213 http://deb.debian.org/debian trixie/main amd64 python3-jupyter-core all 5.7.2-5 [35.3 kB] Get: 214 http://deb.debian.org/debian trixie/main amd64 python3-latexcodec all 3.0.0-1 [17.5 kB] Get: 215 http://deb.debian.org/debian trixie/main amd64 python3-mda-xdrlib all 0.2.0-3 [11.6 kB] Get: 216 http://deb.debian.org/debian trixie/main amd64 python3-msgpack amd64 1.0.3-3+b4 [84.5 kB] Get: 217 http://deb.debian.org/debian trixie/main amd64 python3-mmtf all 1.1.3-1 [17.0 kB] Get: 218 http://deb.debian.org/debian trixie/main amd64 python3-threadpoolctl all 3.1.0-1 [21.2 kB] Get: 219 http://deb.debian.org/debian trixie/main amd64 python3-mdanalysis amd64 2.8.0-4+b1 [4193 kB] Get: 220 http://deb.debian.org/debian trixie/main amd64 python3-nbformat all 5.9.1-1 [45.1 kB] Get: 221 http://deb.debian.org/debian trixie/main amd64 python3-networkx all 3.2.1-5 [13.0 MB] Get: 222 http://deb.debian.org/debian trixie/main amd64 python3-openbabel amd64 3.1.1+dfsg-11+b3 [572 kB] Get: 223 http://deb.debian.org/debian trixie/main amd64 python3-openmm amd64 8.1.2+dfsg-4+b1 [6585 kB] Get: 224 http://deb.debian.org/debian trixie/main amd64 python3-palettable all 3.3.3-1 [69.7 kB] Get: 225 http://deb.debian.org/debian trixie/main amd64 python3-tenacity all 8.4.2+really8.4.1-2 [46.0 kB] Get: 226 http://deb.debian.org/debian trixie/main amd64 python3-plotly all 5.20.0+dfsg-1 [2726 kB] Get: 227 http://deb.debian.org/debian trixie/main amd64 python3-pluggy all 1.5.0-1 [26.9 kB] Get: 228 http://deb.debian.org/debian trixie/main amd64 python3-six all 1.17.0-1 [16.5 kB] Get: 229 http://deb.debian.org/debian trixie/main amd64 python3-yaml amd64 6.0.2-1+b2 [136 kB] Get: 230 http://deb.debian.org/debian trixie/main amd64 python3-pybtex all 0.24.0-4 [74.6 kB] Get: 231 http://deb.debian.org/debian trixie/main amd64 python3-pydantic-settings all 2.8.1-1 [44.9 kB] Get: 232 http://deb.debian.org/debian trixie/main amd64 python3-spglib amd64 2.5.0-2+b2 [52.8 kB] Get: 233 http://deb.debian.org/debian trixie/main amd64 python3-tabulate all 0.9.0-1 [45.9 kB] Get: 234 http://deb.debian.org/debian trixie/main amd64 python3-uncertainties all 3.2.2-1 [54.7 kB] Get: 235 http://deb.debian.org/debian trixie/main amd64 python3-pymatgen amd64 2025.2.18+dfsg1-4 [2604 kB] Get: 236 http://deb.debian.org/debian trixie/main amd64 python3-pytest all 8.3.4-1 [250 kB] Get: 237 http://deb.debian.org/debian trixie/main amd64 python3-setuptools-scm all 8.2.0-1 [41.0 kB] Fetched 187 MB in 7s (26.9 MB/s) Preconfiguring packages ... 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 ... 19800 files and directories currently installed.) Preparing to unpack .../fonts-lato_2.015-1_all.deb ... Unpacking fonts-lato (2.015-1) ... Selecting previously unselected package libpython3.13-minimal:amd64. Preparing to unpack .../libpython3.13-minimal_3.13.2-1_amd64.deb ... Unpacking libpython3.13-minimal:amd64 (3.13.2-1) ... 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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 libpython3.13-stdlib:amd64. Preparing to unpack .../7-libpython3.13-stdlib_3.13.2-1_amd64.deb ... Unpacking libpython3.13-stdlib:amd64 (3.13.2-1) ... Selecting previously unselected package python3.13. Preparing to unpack .../8-python3.13_3.13.2-1_amd64.deb ... Unpacking python3.13 (3.13.2-1) ... Selecting previously unselected package libpython3-stdlib:amd64. 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Universal Time is now: Fri Apr 10 11:49:40 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... Setting up libsymspg2:amd64 (2.5.0-2+b2) ... Setting up libfontenc1:amd64 (1:1.1.8-1+b2) ... Setting up autotools-dev (20220109.1) ... Setting up libblas3:amd64 (3.12.1-2) ... 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 libjpeg62-turbo:amd64 (1:2.1.5-3.1) ... Setting up libx11-data (2:1.8.10-2) ... Setting up xfonts-encodings (1:1.0.4-2.2) ... Setting up libfribidi0:amd64 (1.0.16-1) ... Setting up libimagequant0:amd64 (2.18.0-1+b2) ... Setting up libproc2-0:amd64 (2:4.0.4-7) ... Setting up libunistring5:amd64 (1.3-1) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libpng16-16t64:amd64 (1.6.47-1) ... Setting up python3-numpy-dev:amd64 (1:2.2.3+ds-2+b1) ... 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Setting up libxml2:amd64 (2.12.7+dfsg+really2.9.14-0.2+b2) ... Setting up fonts-font-awesome (5.0.10+really4.7.0~dfsg-4.1) ... Setting up sphinx-rtd-theme-common (3.0.2+dfsg-2) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.17-3) ... update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode Setting up libfile-stripnondeterminism-perl (1.14.1-2) ... Setting up liblapack3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up gettext (0.23.1-1) ... Setting up libxrender1:amd64 (1:0.9.10-1.1+b4) ... Setting up libtool (2.5.4-3) ... Setting up fontconfig-config (2.15.0-2) ... Setting up libwebpdemux2:amd64 (1.5.0-0.1) ... Setting up libxext6:amd64 (2:1.3.4-1+b3) ... Setting up libopenmm-dev (8.1.2+dfsg-4+b1) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up dh-autoreconf (20) ... Setting up ca-certificates (20241223) ... Updating certificates in /etc/ssl/certs... 152 added, 0 removed; done. Setting up libglib2.0-0t64:amd64 (2.83.4-1) ... No schema files found: doing nothing. Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ... Setting up libjs-sphinxdoc (8.1.3-5) ... Setting up libreadline8t64:amd64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.1-2) ... Setting up groff-base (1.23.0-7) ... Setting up xml-core (0.19) ... Setting up libxslt1.1:amd64 (1.1.35-1.1+b1) ... Setting up libharfbuzz0b:amd64 (10.2.0-1) ... Setting up libxss1:amd64 (1:1.2.3-1+b3) ... Setting up libfontconfig1:amd64 (2.15.0-2) ... Setting up libpython3.13-stdlib:amd64 (3.13.2-1) ... Setting up libpython3-stdlib:amd64 (3.13.2-1) ... Setting up liblbfgsb0:amd64 (3.0+dfsg.4-1+b2) ... Setting up libpython3.13:amd64 (3.13.2-1) ... Setting up libxft2:amd64 (2.3.6-1+b4) ... Setting up python3.13 (3.13.2-1) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:amd64 (8.6.16-1) ... Setting up python3.12-tk (3.12.9-1) ... Setting up python3 (3.13.2-1) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-freetype (2.5.1-1) ... Setting up xfonts-utils (1:7.7+7) ... Setting up python3-autocommand (2.2.2-3) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up python3-wheel (0.45.1-1) ... Setting up libcairo2:amd64 (1.18.2-2) ... Setting up python3.13-tk (3.13.2-1) ... Setting up python3-annotated-types (0.7.0-1) ... Setting up python3-mda-xdrlib (0.2.0-3) ... Setting up python3-platformdirs (4.3.6-1) ... Setting up python3-psutil (5.9.8-2) ... Setting up python3-monotonic (1.6-3) ... Setting up python3-six (1.17.0-1) ... Setting up python3-bson (4.10.1-5) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.2-1) ... Setting up python3-chardet (5.2.0+dfsg-2) ... Setting up python3-pyproject-hooks (1.2.0-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up python3-certifi (2025.1.31+ds-1) ... Setting up python3-brotli (1.1.0-2+b7) ... Setting up libraqm0:amd64 (0.10.2-1) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-3+b1) ... Setting up python3-idna (3.10-1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up python3-fasteners (0.18-2) ... Setting up python3-numpy (1:2.2.3+ds-2+b1) ... Setting up python3-toml (0.10.2-1) ... Setting up python3-installer (0.7.0+dfsg1-3) ... Setting up python3-urllib3 (2.3.0-1) ... Setting up python3-pluggy (1.5.0-1) ... Setting up python3-rpds-py (0.21.0-2+b1) ... Setting up python3-fastjsonschema (2.21.1-1) ... Setting up python3-openmm (8.1.2+dfsg-4+b1) ... /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:416: SyntaxWarning: invalid escape sequence '\S' """ Tokenizer method for the mmCIF syntax file - /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:444: SyntaxWarning: invalid escape sequence '\S' "(?:_(.+?)[.](\S+))" "|" # _category.attribute /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:446: SyntaxWarning: invalid escape sequence '\s' "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:448: SyntaxWarning: invalid escape sequence '\s' "(?:\s*#.*$)" "|" # comments (dumped) /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:450: SyntaxWarning: invalid escape sequence '\S' "(\S+)" # unquoted words Setting up python3-looseversion (1.3.0-3) ... Setting up python3-lxml:amd64 (5.3.1-1+b1) ... Setting up python3-dnspython (2.6.1-1) ... Setting up python3-traitlets (5.14.3+really5.14.3-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-contourpy (1.3.1-1+b1) ... Setting up python3-email-validator (2.2.0-1) ... Setting up python3-msgpack (1.0.3-3+b4) ... Setting up python3-mpmath (1.3.0-1) ... Setting up python3-build (1.2.2-1) ... Setting up python3-spglib (2.5.0-2+b2) ... Setting up python3-jupyter-core (5.7.2-5) ... Setting up python3-uncertainties (3.2.2-1) ... Setting up python3-mrcfile (1.5.4-2) ... Setting up python3-dotenv (1.0.1-1) ... Setting up python3-more-itertools (10.6.0-1) ... Setting up python3-iniconfig (1.1.1-2) ... Setting up python3-sympy (1.13.3-5) ... Setting up python3-attr (25.1.0-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7) ... Setting up python3-scipy (1.14.1-4+b1) ... Setting up python3-pydantic-core (2.27.2-1+b2) ... Setting up python3-cairo (1.26.1-2+b2) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.1-1) ... Setting up python3-joblib (1.4.2-3) ... Setting up python3-lz4 (4.4.0+dfsg-1+b1) ... Setting up python3-citeproc (0.7.0-1) ... Setting up python3-charset-normalizer (3.4.1-1+b1) ... Setting up python3-pytest (8.3.4-1) ... Setting up blt (2.5.3+dfsg-7) ... Setting up python3-tenacity (8.4.2+really8.4.1-2) ... Setting up python3-pandas-lib:amd64 (2.2.3+dfsg-8+b1) ... Setting up python3-tqdm (4.67.1-2) ... Setting up python3-typeguard (4.4.2-1) ... Setting up python3-threadpoolctl (3.1.0-1) ... Setting up python3-ruamel.yaml.clib (0.2.12+ds-1+b1) ... Setting up python3-tabulate (0.9.0-1) ... Setting up python3-latexcodec (3.0.0-1) ... Setting up python3-all (3.13.2-1) ... Setting up libopenbabel7 (3.1.1+dfsg-11+b3) ... Setting up python3-yaml (6.0.2-1+b2) ... Setting up python3-tk:amd64 (3.13.1-1+b1) ... Setting up debhelper (13.24.1) ... Setting up python3-pytz (2025.1-3) ... Setting up python3-mmtf (1.1.3-1) ... Setting up fonts-urw-base35 (20200910-8) ... Setting up python3-tz (2025.1-3) ... Setting up python3-fs (2.4.16-6) ... Setting up python3-pil:amd64 (11.1.0-5+b1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-griddataformats (1.0.2-2) ... Setting up python3-pandas (2.2.3+dfsg-8) ... Setting up python3-pil.imagetk:amd64 (11.1.0-5+b1) ... Setting up python3-rlpycairo (0.3.0-3) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-pydantic (2.10.6-1) ... Setting up python3-requests (2.32.3+dfsg-4) ... Setting up python3-sentry-sdk (2.18.0-1) ... Setting up python3-reportlab (4.3.1-1) ... Setting up python3-ruamel.yaml (0.18.10+ds-1) ... Setting up python3-monty (2025.1.9-1) ... Setting up python3-pydantic-settings (2.8.1-1) ... Setting up python3-referencing (0.35.1-2) ... Setting up python3-pkg-resources (75.8.0-1) ... Setting up python3-setuptools (75.8.0-1) ... Setting up python3-openbabel (3.1.1+dfsg-11+b3) ... Setting up python3-duecredit (0.10.2-2) ... Setting up python3-networkx (3.2.1-5) ... Setting up python3-setuptools-scm (8.2.0-1) ... Setting up python3-palettable (3.3.3-1) ... Setting up python3-pybtex (0.24.0-4) ... Setting up python3-jsonschema-specifications (2023.12.1-2) ... Setting up dh-python (6.20250108) ... Setting up pybuild-plugin-pyproject (6.20250108) ... Setting up python3-jsonschema (4.19.2-6) ... Setting up python3-nbformat (5.9.1-1) ... Setting up python3-plotly (5.20.0+dfsg-1) ... Setting up python3-fonttools (4.55.3-2+b1) ... Setting up python3-ufolib2 (0.17.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-7+b1) ... Setting up python3-pymatgen (2025.2.18+dfsg1-4) ... Setting up python3-custodian (2024.10.16-1) ... Processing triggers for libc-bin (2.40-7) ... Processing triggers for sgml-base (1.31) ... Setting up w3c-sgml-lib (1.3-3) ... Setting up python3-biopython (1.85+dfsg-2+b1) ... Setting up python3-mdanalysis (2.8.0-4+b1) ... Processing triggers for ca-certificates (20241223) ... 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/python-emmet-core-0.84.2/ && 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 > ../python-emmet-core_0.84.2-2_source.changes dpkg-buildpackage: info: source package python-emmet-core dpkg-buildpackage: info: source version 0.84.2-2 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 python-emmet-core-0.84.2/debian/source/options: --extend-diff-ignore=^[^/]*[.]egg-info/ debian/rules clean dh clean --buildsystem=pybuild dh_auto_clean -O--buildsystem=pybuild 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/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core * Building wheel... WARNING setuptools_scm.pyproject_reading toml section missing 'pyproject.toml does not contain a tool.setuptools_scm section' Traceback (most recent call last): File "/usr/lib/python3/dist-packages/setuptools_scm/_integration/pyproject_reading.py", line 36, in read_pyproject section = defn.get("tool", {})[tool_name] ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^ KeyError: 'setuptools_scm' running bdist_wheel running build running build_py creating build/lib/emmet/core copying emmet/core/tasks.py -> build/lib/emmet/core copying emmet/core/utils.py -> build/lib/emmet/core copying emmet/core/ml.py -> build/lib/emmet/core copying emmet/core/summary.py -> build/lib/emmet/core copying emmet/core/mpid.py -> build/lib/emmet/core copying emmet/core/phonon.py -> build/lib/emmet/core copying emmet/core/_general_store.py -> build/lib/emmet/core copying emmet/core/base.py -> build/lib/emmet/core copying emmet/core/xas.py -> build/lib/emmet/core copying emmet/core/qc_tasks.py -> build/lib/emmet/core copying emmet/core/corrected_entries.py -> build/lib/emmet/core copying emmet/core/bonds.py -> build/lib/emmet/core copying emmet/core/magnetism.py -> build/lib/emmet/core copying emmet/core/provenance.py -> build/lib/emmet/core copying emmet/core/xrd.py -> build/lib/emmet/core copying emmet/core/common.py -> build/lib/emmet/core copying emmet/core/absorption.py -> build/lib/emmet/core copying emmet/core/task.py -> build/lib/emmet/core copying emmet/core/_user_settings.py -> build/lib/emmet/core copying emmet/core/fermi.py -> build/lib/emmet/core copying emmet/core/mpcomplete.py -> build/lib/emmet/core copying emmet/core/settings.py -> build/lib/emmet/core copying emmet/core/surface_properties.py -> build/lib/emmet/core copying emmet/core/molecules_jcesr.py -> build/lib/emmet/core copying emmet/core/similarity.py -> build/lib/emmet/core copying emmet/core/polar.py -> build/lib/emmet/core copying emmet/core/material.py -> build/lib/emmet/core copying emmet/core/dois.py -> build/lib/emmet/core copying emmet/core/charge_density.py -> build/lib/emmet/core copying emmet/core/symmetry.py -> build/lib/emmet/core copying emmet/core/__init__.py -> build/lib/emmet/core copying emmet/core/elasticity_legacy.py -> build/lib/emmet/core copying emmet/core/grain_boundary.py -> build/lib/emmet/core copying emmet/core/oxidation_states.py -> build/lib/emmet/core copying emmet/core/thermo.py -> build/lib/emmet/core copying emmet/core/defect.py -> build/lib/emmet/core copying emmet/core/robocrys.py -> build/lib/emmet/core copying emmet/core/math.py -> build/lib/emmet/core copying emmet/core/elasticity.py -> build/lib/emmet/core copying emmet/core/alloys.py -> build/lib/emmet/core copying emmet/core/structure.py -> build/lib/emmet/core copying emmet/core/find_structure.py -> build/lib/emmet/core copying emmet/core/spectrum.py -> build/lib/emmet/core copying emmet/core/structure_group.py -> build/lib/emmet/core copying emmet/core/optimade.py -> build/lib/emmet/core copying emmet/core/material_property.py -> build/lib/emmet/core copying emmet/core/electrode.py -> build/lib/emmet/core copying emmet/core/_messages.py -> build/lib/emmet/core copying emmet/core/chemenv.py -> build/lib/emmet/core copying emmet/core/electronic_structure.py -> build/lib/emmet/core copying emmet/core/substrates.py -> build/lib/emmet/core copying emmet/core/eos.py -> build/lib/emmet/core copying emmet/core/formula_autocomplete.py -> build/lib/emmet/core copying emmet/core/stubs.py -> build/lib/emmet/core creating build/lib/emmet/core/qchem copying emmet/core/qchem/task.py -> build/lib/emmet/core/qchem copying emmet/core/qchem/calculation.py -> build/lib/emmet/core/qchem copying emmet/core/qchem/__init__.py -> build/lib/emmet/core/qchem copying emmet/core/qchem/molecule.py -> build/lib/emmet/core/qchem creating build/lib/emmet/core/openff copying emmet/core/openff/tasks.py -> build/lib/emmet/core/openff copying emmet/core/openff/benchmarking.py -> build/lib/emmet/core/openff copying emmet/core/openff/solvation.py -> build/lib/emmet/core/openff copying emmet/core/openff/__init__.py -> build/lib/emmet/core/openff creating build/lib/emmet/core/molecules copying emmet/core/molecules/summary.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/bonds.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/orbitals.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/vibration.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/metal_binding.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/__init__.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/molecule_property.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/thermo.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/atomic.py -> build/lib/emmet/core/molecules copying emmet/core/molecules/redox.py -> build/lib/emmet/core/molecules creating build/lib/emmet/core/mobility copying emmet/core/mobility/migrationgraph.py -> build/lib/emmet/core/mobility creating build/lib/emmet/core/synthesis copying emmet/core/synthesis/operations.py -> build/lib/emmet/core/synthesis copying emmet/core/synthesis/materials.py -> build/lib/emmet/core/synthesis copying emmet/core/synthesis/core.py -> build/lib/emmet/core/synthesis copying emmet/core/synthesis/reaction.py -> build/lib/emmet/core/synthesis copying emmet/core/synthesis/__init__.py -> build/lib/emmet/core/synthesis creating build/lib/emmet/core/vasp copying emmet/core/vasp/calculation.py -> build/lib/emmet/core/vasp copying emmet/core/vasp/material.py -> build/lib/emmet/core/vasp copying emmet/core/vasp/__init__.py -> build/lib/emmet/core/vasp copying emmet/core/vasp/task_valid.py -> build/lib/emmet/core/vasp copying emmet/core/vasp/validation.py -> build/lib/emmet/core/vasp creating build/lib/emmet/core/feff copying emmet/core/feff/task.py -> build/lib/emmet/core/feff copying emmet/core/feff/__init__.py -> build/lib/emmet/core/feff creating build/lib/emmet/core/openmm copying emmet/core/openmm/tasks.py -> build/lib/emmet/core/openmm copying emmet/core/openmm/__init__.py -> build/lib/emmet/core/openmm copying emmet/core/openmm/calculations.py -> build/lib/emmet/core/openmm creating build/lib/emmet/core/qchem/calc_types copying emmet/core/qchem/calc_types/utils.py -> build/lib/emmet/core/qchem/calc_types copying emmet/core/qchem/calc_types/em_utils.py -> build/lib/emmet/core/qchem/calc_types copying emmet/core/qchem/calc_types/calc_types.py -> build/lib/emmet/core/qchem/calc_types copying emmet/core/qchem/calc_types/__init__.py -> build/lib/emmet/core/qchem/calc_types copying emmet/core/qchem/calc_types/enums.py -> build/lib/emmet/core/qchem/calc_types creating build/lib/emmet/core/vasp/calc_types copying emmet/core/vasp/calc_types/utils.py -> build/lib/emmet/core/vasp/calc_types copying emmet/core/vasp/calc_types/__init__.py -> build/lib/emmet/core/vasp/calc_types copying emmet/core/vasp/calc_types/enums.py -> build/lib/emmet/core/vasp/calc_types running egg_info writing emmet_core.egg-info/PKG-INFO writing dependency_links to emmet_core.egg-info/dependency_links.txt writing requirements to emmet_core.egg-info/requires.txt writing top-level names to emmet_core.egg-info/top_level.txt reading manifest file 'emmet_core.egg-info/SOURCES.txt' writing manifest file 'emmet_core.egg-info/SOURCES.txt' copying emmet/core/qchem/calc_types/calc_types.yaml -> build/lib/emmet/core/qchem/calc_types copying emmet/core/vasp/calc_types/calc_types.yaml -> build/lib/emmet/core/vasp/calc_types 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/emmet creating build/bdist.linux-x86_64/wheel/emmet/core copying build/lib/emmet/core/tasks.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/qchem copying build/lib/emmet/core/qchem/task.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem copying build/lib/emmet/core/qchem/calculation.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem creating build/bdist.linux-x86_64/wheel/emmet/core/qchem/calc_types copying build/lib/emmet/core/qchem/calc_types/utils.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem/calc_types copying build/lib/emmet/core/qchem/calc_types/calc_types.yaml -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem/calc_types copying build/lib/emmet/core/qchem/calc_types/em_utils.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem/calc_types copying build/lib/emmet/core/qchem/calc_types/calc_types.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem/calc_types copying build/lib/emmet/core/qchem/calc_types/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem/calc_types copying build/lib/emmet/core/qchem/calc_types/enums.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem/calc_types copying build/lib/emmet/core/qchem/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem copying build/lib/emmet/core/qchem/molecule.py -> build/bdist.linux-x86_64/wheel/./emmet/core/qchem copying build/lib/emmet/core/utils.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/ml.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/summary.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/mpid.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/phonon.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/_general_store.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/base.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/openff copying build/lib/emmet/core/openff/tasks.py -> build/bdist.linux-x86_64/wheel/./emmet/core/openff copying build/lib/emmet/core/openff/benchmarking.py -> build/bdist.linux-x86_64/wheel/./emmet/core/openff copying build/lib/emmet/core/openff/solvation.py -> build/bdist.linux-x86_64/wheel/./emmet/core/openff copying build/lib/emmet/core/openff/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/openff copying build/lib/emmet/core/xas.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/qc_tasks.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/corrected_entries.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/bonds.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/magnetism.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/provenance.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/xrd.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/common.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/absorption.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/task.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/molecules copying build/lib/emmet/core/molecules/summary.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/bonds.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/orbitals.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/vibration.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/metal_binding.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/molecule_property.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/thermo.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/atomic.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/molecules/redox.py -> build/bdist.linux-x86_64/wheel/./emmet/core/molecules copying build/lib/emmet/core/_user_settings.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/fermi.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/mpcomplete.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/settings.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/surface_properties.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/molecules_jcesr.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/similarity.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/polar.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/mobility copying build/lib/emmet/core/mobility/migrationgraph.py -> build/bdist.linux-x86_64/wheel/./emmet/core/mobility copying build/lib/emmet/core/material.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/dois.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/charge_density.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/symmetry.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/elasticity_legacy.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/grain_boundary.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/oxidation_states.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/thermo.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/defect.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/robocrys.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/math.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/elasticity.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/alloys.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/structure.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/synthesis copying build/lib/emmet/core/synthesis/operations.py -> build/bdist.linux-x86_64/wheel/./emmet/core/synthesis copying build/lib/emmet/core/synthesis/materials.py -> build/bdist.linux-x86_64/wheel/./emmet/core/synthesis copying build/lib/emmet/core/synthesis/core.py -> build/bdist.linux-x86_64/wheel/./emmet/core/synthesis copying build/lib/emmet/core/synthesis/reaction.py -> build/bdist.linux-x86_64/wheel/./emmet/core/synthesis copying build/lib/emmet/core/synthesis/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/synthesis copying build/lib/emmet/core/find_structure.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/spectrum.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/structure_group.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/optimade.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/material_property.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/electrode.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/_messages.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/vasp copying build/lib/emmet/core/vasp/calculation.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp creating build/bdist.linux-x86_64/wheel/emmet/core/vasp/calc_types copying build/lib/emmet/core/vasp/calc_types/utils.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp/calc_types copying build/lib/emmet/core/vasp/calc_types/calc_types.yaml -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp/calc_types copying build/lib/emmet/core/vasp/calc_types/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp/calc_types copying build/lib/emmet/core/vasp/calc_types/enums.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp/calc_types copying build/lib/emmet/core/vasp/material.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp copying build/lib/emmet/core/vasp/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp copying build/lib/emmet/core/vasp/task_valid.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp copying build/lib/emmet/core/vasp/validation.py -> build/bdist.linux-x86_64/wheel/./emmet/core/vasp copying build/lib/emmet/core/chemenv.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/electronic_structure.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/substrates.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/feff copying build/lib/emmet/core/feff/task.py -> build/bdist.linux-x86_64/wheel/./emmet/core/feff copying build/lib/emmet/core/feff/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/feff copying build/lib/emmet/core/eos.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/formula_autocomplete.py -> build/bdist.linux-x86_64/wheel/./emmet/core copying build/lib/emmet/core/stubs.py -> build/bdist.linux-x86_64/wheel/./emmet/core creating build/bdist.linux-x86_64/wheel/emmet/core/openmm copying build/lib/emmet/core/openmm/tasks.py -> build/bdist.linux-x86_64/wheel/./emmet/core/openmm copying build/lib/emmet/core/openmm/__init__.py -> build/bdist.linux-x86_64/wheel/./emmet/core/openmm copying build/lib/emmet/core/openmm/calculations.py -> build/bdist.linux-x86_64/wheel/./emmet/core/openmm running install_egg_info Copying emmet_core.egg-info to build/bdist.linux-x86_64/wheel/./emmet_core-0.84.2.egg-info running install_scripts creating build/bdist.linux-x86_64/wheel/emmet_core-0.84.2.dist-info/WHEEL creating '/build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/.tmp-ism92yxt/emmet_core-0.84.2-py3-none-any.whl' and adding 'build/bdist.linux-x86_64/wheel' to it adding 'emmet/core/__init__.py' adding 'emmet/core/_general_store.py' adding 'emmet/core/_messages.py' adding 'emmet/core/_user_settings.py' adding 'emmet/core/absorption.py' adding 'emmet/core/alloys.py' adding 'emmet/core/base.py' adding 'emmet/core/bonds.py' adding 'emmet/core/charge_density.py' adding 'emmet/core/chemenv.py' adding 'emmet/core/common.py' adding 'emmet/core/corrected_entries.py' adding 'emmet/core/defect.py' adding 'emmet/core/dois.py' adding 'emmet/core/elasticity.py' adding 'emmet/core/elasticity_legacy.py' adding 'emmet/core/electrode.py' adding 'emmet/core/electronic_structure.py' adding 'emmet/core/eos.py' adding 'emmet/core/fermi.py' adding 'emmet/core/find_structure.py' adding 'emmet/core/formula_autocomplete.py' adding 'emmet/core/grain_boundary.py' adding 'emmet/core/magnetism.py' adding 'emmet/core/material.py' adding 'emmet/core/material_property.py' adding 'emmet/core/math.py' adding 'emmet/core/ml.py' adding 'emmet/core/molecules_jcesr.py' adding 'emmet/core/mpcomplete.py' adding 'emmet/core/mpid.py' adding 'emmet/core/optimade.py' adding 'emmet/core/oxidation_states.py' adding 'emmet/core/phonon.py' adding 'emmet/core/polar.py' adding 'emmet/core/provenance.py' adding 'emmet/core/qc_tasks.py' adding 'emmet/core/robocrys.py' adding 'emmet/core/settings.py' adding 'emmet/core/similarity.py' adding 'emmet/core/spectrum.py' adding 'emmet/core/structure.py' adding 'emmet/core/structure_group.py' adding 'emmet/core/stubs.py' adding 'emmet/core/substrates.py' adding 'emmet/core/summary.py' adding 'emmet/core/surface_properties.py' adding 'emmet/core/symmetry.py' adding 'emmet/core/task.py' adding 'emmet/core/tasks.py' adding 'emmet/core/thermo.py' adding 'emmet/core/utils.py' adding 'emmet/core/xas.py' adding 'emmet/core/xrd.py' adding 'emmet/core/feff/__init__.py' adding 'emmet/core/feff/task.py' adding 'emmet/core/mobility/migrationgraph.py' adding 'emmet/core/molecules/__init__.py' adding 'emmet/core/molecules/atomic.py' adding 'emmet/core/molecules/bonds.py' adding 'emmet/core/molecules/metal_binding.py' adding 'emmet/core/molecules/molecule_property.py' adding 'emmet/core/molecules/orbitals.py' adding 'emmet/core/molecules/redox.py' adding 'emmet/core/molecules/summary.py' adding 'emmet/core/molecules/thermo.py' adding 'emmet/core/molecules/vibration.py' adding 'emmet/core/openff/__init__.py' adding 'emmet/core/openff/benchmarking.py' adding 'emmet/core/openff/solvation.py' adding 'emmet/core/openff/tasks.py' adding 'emmet/core/openmm/__init__.py' adding 'emmet/core/openmm/calculations.py' adding 'emmet/core/openmm/tasks.py' adding 'emmet/core/qchem/__init__.py' adding 'emmet/core/qchem/calculation.py' adding 'emmet/core/qchem/molecule.py' adding 'emmet/core/qchem/task.py' adding 'emmet/core/qchem/calc_types/__init__.py' adding 'emmet/core/qchem/calc_types/calc_types.py' adding 'emmet/core/qchem/calc_types/calc_types.yaml' adding 'emmet/core/qchem/calc_types/em_utils.py' adding 'emmet/core/qchem/calc_types/enums.py' adding 'emmet/core/qchem/calc_types/utils.py' adding 'emmet/core/synthesis/__init__.py' adding 'emmet/core/synthesis/core.py' adding 'emmet/core/synthesis/materials.py' adding 'emmet/core/synthesis/operations.py' adding 'emmet/core/synthesis/reaction.py' adding 'emmet/core/vasp/__init__.py' adding 'emmet/core/vasp/calculation.py' adding 'emmet/core/vasp/material.py' adding 'emmet/core/vasp/task_valid.py' adding 'emmet/core/vasp/validation.py' adding 'emmet/core/vasp/calc_types/__init__.py' adding 'emmet/core/vasp/calc_types/calc_types.yaml' adding 'emmet/core/vasp/calc_types/enums.py' adding 'emmet/core/vasp/calc_types/utils.py' adding 'emmet_core-0.84.2.dist-info/METADATA' adding 'emmet_core-0.84.2.dist-info/WHEEL' adding 'emmet_core-0.84.2.dist-info/top_level.txt' adding 'emmet_core-0.84.2.dist-info/RECORD' removing build/bdist.linux-x86_64/wheel Successfully built emmet_core-0.84.2-py3-none-any.whl I: pybuild plugin_pyproject:144: Unpacking wheel built for python3.13 with "installer" module debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/python-emmet-core-0.84.2' set -e; \ for py in 3.13; do \ SKIP_TESTS=""; \ list_initialised=0; \ for t in test_from_url test_seriallization test_task_doc; 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}"; \ pybuilddir=`pybuild --pyver $py --print build_dir | awk '{print $3}'`; \ testdir=/build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python$py; \ mkdir $testdir; cp -a tests $testdir; \ (cd $testdir; \ PMG_TEST_FILES_DIR=/build/reproducible-path/python-emmet-core-0.84.2/debian/test_files PYTHONPATH=$pybuilddir \ python$py -m pytest -v -k "${SKIP_TESTS}" $testdir); \ done skipping tests: not ( test_from_url or test_seriallization or test_task_doc ) ============================= test session starts ============================== platform linux -- Python 3.13.2, pytest-8.3.4, pluggy-1.5.0 -- /usr/bin/python3.13 cachedir: .pytest_cache rootdir: /build/reproducible-path/python-emmet-core-0.84.2 plugins: typeguard-4.4.2 collecting ... collected 195 items / 9 deselected / 4 skipped / 186 selected tests/molecules/test_atomic.py::test_partial_charges PASSED [ 0%] tests/molecules/test_atomic.py::test_partial_spins PASSED [ 1%] tests/molecules/test_bonds.py::test_bonding PASSED [ 1%] tests/molecules/test_metal_binding.py::test_metal_binding PASSED [ 2%] tests/molecules/test_mol_thermo.py::test_thermo PASSED [ 2%] tests/molecules/test_orbitals.py::test_orbital PASSED [ 3%] tests/molecules/test_redox.py::test_redox PASSED [ 3%] tests/molecules/test_summary.py::test_summary_doc PASSED [ 4%] tests/molecules/test_vibration.py::test_vibration PASSED [ 4%] tests/openmm_md/test_tasks.py::test_calc_output_from_directory PASSED [ 5%] tests/qchem/test_calc_types.py::test_enums PASSED [ 5%] tests/qchem/test_molecules.py::test_make_mol SKIPPED (Pymatgen OBAli...) [ 6%] tests/qchem/test_molecules.py::test_make_deprecated_mol SKIPPED (Pym...) [ 6%] tests/qchem/test_molecules.py::test_schema PASSED [ 7%] tests/qchem/test_qchem.py::test_task_type PASSED [ 8%] tests/qchem/test_qchem.py::test_level_of_theory PASSED [ 8%] tests/qchem/test_qchem.py::test_solvent PASSED [ 9%] tests/qchem/test_qchem.py::test_lot_solv PASSED [ 9%] tests/qchem/test_qchem.py::test_unexpected_lots PASSED [ 10%] tests/qchem/test_qchem.py::test_computed_entry PASSED [ 10%] tests/test_absorption.py::test_absorption_doc PASSED [ 11%] tests/test_calculation.py::test_init PASSED [ 11%] tests/test_calculation.py::test_calculation_input[SiOptimizeDouble] PASSED [ 12%] tests/test_calculation.py::test_calculation_input[SiStatic] PASSED [ 12%] tests/test_calculation.py::test_calculation_input[SiNonSCFUniform] PASSED [ 13%] tests/test_calculation.py::test_calculation_output[SiOptimizeDouble] PASSED [ 13%] tests/test_calculation.py::test_calculation_output[SiStatic] PASSED [ 14%] tests/test_calculation.py::test_calculation_output[SiNonSCFUniform] PASSED [ 15%] tests/test_calculation.py::test_mag_calculation_output PASSED [ 15%] tests/test_calculation.py::test_run_statistics[SiOptimizeDouble] PASSED [ 16%] tests/test_calculation.py::test_run_statistics[SiStatic] PASSED [ 16%] tests/test_calculation.py::test_run_statistics[SiNonSCFUniform] PASSED [ 17%] tests/test_calculation.py::test_calculation[SiOptimizeDouble] PASSED [ 17%] tests/test_calculation.py::test_calculation[SiStatic] PASSED [ 18%] tests/test_calculation.py::test_calculation[SiNonSCFUniform] PASSED [ 18%] tests/test_calculation.py::test_calculation_run_type_metagga PASSED [ 19%] tests/test_calculation.py::test_PotcarSpec PASSED [ 19%] tests/test_chemenv.py::test_chemenv[structure0] PASSED [ 20%] tests/test_chemenv.py::test_chemenv[structure1] PASSED [ 20%] tests/test_chemenv.py::test_chemenv[structure2] PASSED [ 21%] tests/test_chemenv.py::test_chemenv[structure3] PASSED [ 22%] tests/test_chemenv.py::test_chemenv[structure4] PASSED [ 22%] tests/test_chemenv.py::test_chemenv[structure5] PASSED [ 23%] tests/test_chemenv.py::test_chemenv[structure6] PASSED [ 23%] tests/test_chemenv.py::test_chemenv[structure7] PASSED [ 24%] tests/test_chemenv.py::test_chemenv[structure8] PASSED [ 24%] tests/test_chemenv.py::test_chemenv[structure9] PASSED [ 25%] tests/test_chemenv.py::test_chemenv[structure10] PASSED [ 25%] tests/test_chemenv.py::test_chemenv[structure11] PASSED [ 26%] tests/test_chemenv.py::test_chemenv[structure12] PASSED [ 26%] tests/test_chemenv.py::test_chemenv[structure13] PASSED [ 27%] tests/test_elasticity.py::test_generate_derived_fitting_data PASSED [ 27%] tests/test_elasticity.py::test_from_deformations_and_stresses PASSED [ 28%] tests/test_electrodes.py::test_InsertionDocs PASSED [ 29%] tests/test_electrodes.py::test_ConversionDocs_from_entries PASSED [ 29%] tests/test_electrodes.py::test_ConversionDocs_from_composition_and_pd PASSED [ 30%] tests/test_electrodes.py::test_ConversionDocs_from_sub_electrodes PASSED [ 30%] tests/test_electrodes.py::test_get_battery_formula PASSED [ 31%] tests/test_electronic_structure.py::test_from_bsdos_1 SKIPPED (could...) [ 31%] tests/test_electronic_structure.py::test_from_bsdos_2 SKIPPED (could...) [ 32%] tests/test_magnetism.py::test_magnetism_doc PASSED [ 32%] tests/test_molecule_metadata.py::test_from_molecule PASSED [ 33%] tests/test_molecule_metadata.py::test_from_comp PASSED [ 33%] tests/test_mpid.py::test_mpid PASSED [ 34%] tests/test_mpid.py::test_mpculeid PASSED [ 34%] tests/test_mpid.py::test_to_str PASSED [ 35%] tests/test_oxidation_states.py::test_oxidation_state[structure0] PASSED [ 36%] tests/test_oxidation_states.py::test_oxidation_state[structure1] PASSED [ 36%] tests/test_oxidation_states.py::test_oxidation_state[structure2] PASSED [ 37%] tests/test_oxidation_states.py::test_oxidation_state[structure3] PASSED [ 37%] tests/test_oxidation_states.py::test_oxidation_state[structure4] PASSED [ 38%] tests/test_oxidation_states.py::test_oxidation_state[structure5] PASSED [ 38%] tests/test_oxidation_states.py::test_oxidation_state[structure6] PASSED [ 39%] tests/test_oxidation_states.py::test_oxidation_state[structure7] PASSED [ 39%] tests/test_oxidation_states.py::test_oxidation_state[structure8] PASSED [ 40%] tests/test_oxidation_states.py::test_oxidation_state[structure9] PASSED [ 40%] tests/test_oxidation_states.py::test_oxidation_state[structure10] PASSED [ 41%] tests/test_oxidation_states.py::test_oxidation_state[structure11] PASSED [ 41%] tests/test_oxidation_states.py::test_oxidation_state[structure12] PASSED [ 42%] tests/test_oxidation_states.py::test_oxidation_state[structure13] PASSED [ 43%] tests/test_polar.py::test_dielectric PASSED [ 43%] tests/test_polar.py::test_piezoelectric PASSED [ 44%] tests/test_provenance.py::test_from_snls PASSED [ 44%] tests/test_qc_task.py::test_input_summary[SinglePointTest] PASSED [ 45%] tests/test_qc_task.py::test_input_summary[OptimizationTest] PASSED [ 45%] tests/test_qc_task.py::test_output_summary[SinglePointTest] PASSED [ 46%] tests/test_qc_task.py::test_output_summary[OptimizationTest] PASSED [ 46%] tests/test_robocrys.py::test_robocrys[structure0] SKIPPED (Skip unti...) [ 47%] tests/test_robocrys.py::test_robocrys[structure1] SKIPPED (Skip unti...) [ 47%] tests/test_robocrys.py::test_robocrys[structure2] SKIPPED (Skip unti...) [ 48%] tests/test_robocrys.py::test_robocrys[structure3] SKIPPED (Skip unti...) [ 48%] tests/test_robocrys.py::test_robocrys[structure4] SKIPPED (Skip unti...) [ 49%] tests/test_robocrys.py::test_robocrys[structure5] SKIPPED (Skip unti...) [ 50%] tests/test_robocrys.py::test_robocrys[structure6] SKIPPED (Skip unti...) [ 50%] tests/test_robocrys.py::test_robocrys[structure7] SKIPPED (Skip unti...) [ 51%] tests/test_robocrys.py::test_robocrys[structure8] SKIPPED (Skip unti...) [ 51%] tests/test_robocrys.py::test_robocrys[structure9] SKIPPED (Skip unti...) [ 52%] tests/test_robocrys.py::test_robocrys[structure10] SKIPPED (Skip unt...) [ 52%] tests/test_robocrys.py::test_robocrys[structure11] SKIPPED (Skip unt...) [ 53%] tests/test_robocrys.py::test_robocrys[structure12] SKIPPED (Skip unt...) 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[ 54%] tests/test_settings.py::test_default_config_path PASSED [ 54%] tests/test_settings.py::test_allow_extra_fields PASSED [ 55%] tests/test_structure_group.py::test_StructureGroupDoc_from_grouped_entries PASSED [ 55%] tests/test_structure_group.py::test_StructureGroupDoc_from_ungrouped_entries SKIPPED [ 56%] tests/test_structure_group.py::test_lexi_id PASSED [ 56%] tests/test_structure_metadata.py::test_symmetry PASSED [ 57%] tests/test_structure_metadata.py::test_structure_metadata PASSED [ 58%] tests/test_structure_metadata.py::test_structure_metadata_fewer_fields PASSED [ 58%] tests/test_structure_metadata.py::test_composition PASSED [ 59%] tests/test_structure_metadata.py::test_schema PASSED [ 59%] tests/test_task.py::test_analysis_summary[SiOptimizeDouble] PASSED [ 60%] tests/test_task.py::test_analysis_summary[SiStatic] PASSED [ 60%] tests/test_task.py::test_analysis_summary[SiNonSCFUniform] PASSED [ 61%] tests/test_task.py::test_input_summary[SiOptimizeDouble] PASSED [ 61%] 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tests/test_xrd.py::test_target_detection[MoKb1] PASSED [ 70%] tests/test_xrd.py::test_target_detection[CrKa] PASSED [ 71%] tests/test_xrd.py::test_target_detection[CrKa2] PASSED [ 72%] tests/test_xrd.py::test_target_detection[CrKa1] PASSED [ 72%] tests/test_xrd.py::test_target_detection[CrKb1] PASSED [ 73%] tests/test_xrd.py::test_target_detection[FeKa] PASSED [ 73%] tests/test_xrd.py::test_target_detection[FeKa2] PASSED [ 74%] tests/test_xrd.py::test_target_detection[FeKa1] PASSED [ 74%] tests/test_xrd.py::test_target_detection[FeKb1] PASSED [ 75%] tests/test_xrd.py::test_target_detection[CoKa] PASSED [ 75%] tests/test_xrd.py::test_target_detection[CoKa2] PASSED [ 76%] tests/test_xrd.py::test_target_detection[CoKa1] PASSED [ 76%] tests/test_xrd.py::test_target_detection[CoKb1] PASSED [ 77%] tests/test_xrd.py::test_target_detection[AgKa] PASSED [ 77%] tests/test_xrd.py::test_target_detection[AgKa2] PASSED [ 78%] tests/test_xrd.py::test_target_detection[AgKa1] PASSED [ 79%] tests/test_xrd.py::test_target_detection[AgKb1] PASSED [ 79%] tests/test_xrd.py::test_from_target[CuKa] PASSED [ 80%] tests/test_xrd.py::test_from_target[CuKa2] PASSED [ 80%] tests/test_xrd.py::test_from_target[CuKa1] PASSED [ 81%] tests/test_xrd.py::test_from_target[CuKb1] PASSED [ 81%] tests/test_xrd.py::test_from_target[MoKa] PASSED [ 82%] tests/test_xrd.py::test_from_target[MoKa2] PASSED [ 82%] tests/test_xrd.py::test_from_target[MoKa1] PASSED [ 83%] tests/test_xrd.py::test_from_target[MoKb1] PASSED [ 83%] tests/test_xrd.py::test_from_target[CrKa] PASSED [ 84%] tests/test_xrd.py::test_from_target[CrKa2] PASSED [ 84%] tests/test_xrd.py::test_from_target[CrKa1] PASSED [ 85%] tests/test_xrd.py::test_from_target[CrKb1] PASSED [ 86%] tests/test_xrd.py::test_from_target[FeKa] PASSED [ 86%] tests/test_xrd.py::test_from_target[FeKa2] PASSED [ 87%] tests/test_xrd.py::test_from_target[FeKa1] PASSED [ 87%] tests/test_xrd.py::test_from_target[FeKb1] PASSED [ 88%] tests/test_xrd.py::test_from_target[CoKa] PASSED [ 88%] tests/test_xrd.py::test_from_target[CoKa2] PASSED [ 89%] tests/test_xrd.py::test_from_target[CoKa1] PASSED [ 89%] tests/test_xrd.py::test_from_target[CoKb1] PASSED [ 90%] tests/test_xrd.py::test_from_target[AgKa] PASSED [ 90%] tests/test_xrd.py::test_from_target[AgKa2] PASSED [ 91%] tests/test_xrd.py::test_from_target[AgKa1] PASSED [ 91%] tests/test_xrd.py::test_from_target[AgKb1] PASSED [ 92%] tests/test_xrd.py::test_schema PASSED [ 93%] tests/vasp/test_calc_types.py::test_enums PASSED [ 93%] tests/vasp/test_materials.py::test_make_mat PASSED [ 94%] tests/vasp/test_materials.py::test_make_deprecated_mat PASSED [ 94%] tests/vasp/test_materials.py::test_schema PASSED [ 95%] tests/vasp/test_vasp.py::test_task_type PASSED [ 95%] tests/vasp/test_vasp.py::test_run_type PASSED [ 96%] tests/vasp/test_vasp.py::test_validator PASSED [ 96%] tests/vasp/test_vasp.py::test_validator_magmom PASSED [ 97%] tests/vasp/test_vasp.py::test_validator_failed_symmetry PASSED [ 97%] tests/vasp/test_vasp.py::test_computed_entry PASSED [ 98%] tests/vasp/test_vasp.py::test_ldau PASSED [ 98%] tests/vasp/test_vasp.py::test_ldau_validation PASSED [ 99%] tests/vasp/test_vasp.py::test_potcar_stats_check PASSED [100%] =============================== warnings summary =============================== ../cpython3_3.13_emmet-core/build/emmet/core/vasp/calculation.py:304 /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/vasp/calculation.py:304: PydanticDeprecatedSince20: `pydantic.config.Extra` is deprecated, use literal values instead (e.g. `extra='allow'`). Deprecated in Pydantic V2.0 to be removed in V3.0. See Pydantic V2 Migration Guide at https://errors.pydantic.dev/2.10/migration/ class ElectronicStep(BaseModel, extra=Extra.allow): # type: ignore ../cpython3_3.13_emmet-core/build/emmet/core/vasp/calculation.py:328 /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/vasp/calculation.py:328: PydanticDeprecatedSince20: `pydantic.config.Extra` is deprecated, use literal values instead (e.g. `extra='allow'`). Deprecated in Pydantic V2.0 to be removed in V3.0. See Pydantic V2 Migration Guide at https://errors.pydantic.dev/2.10/migration/ class IonicStep(BaseModel, extra=Extra.allow): # type: ignore :488 :488: DeprecationWarning: builtin type SwigPyPacked has no __module__ attribute :488 :488: DeprecationWarning: builtin type SwigPyObject has no __module__ attribute :488 :488: DeprecationWarning: builtin type swigvarlink has no __module__ attribute ../../../../../usr/lib/python3/dist-packages/pybtex/plugin/__init__.py:26 /usr/lib/python3/dist-packages/pybtex/plugin/__init__.py:26: DeprecationWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html import pkg_resources .pybuild/test_python3.13/tests/molecules/test_atomic.py::test_partial_charges /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/molecules/test_atomic.py:15: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "liec_tasks.json.gz") as f: .pybuild/test_python3.13/tests/molecules/test_atomic.py: 12 warnings .pybuild/test_python3.13/tests/molecules/test_bonds.py: 6 warnings .pybuild/test_python3.13/tests/molecules/test_metal_binding.py: 1 warning .pybuild/test_python3.13/tests/molecules/test_mol_thermo.py: 4 warnings .pybuild/test_python3.13/tests/molecules/test_orbitals.py: 4 warnings .pybuild/test_python3.13/tests/molecules/test_redox.py: 3 warnings .pybuild/test_python3.13/tests/molecules/test_summary.py: 1 warning .pybuild/test_python3.13/tests/molecules/test_vibration.py: 2 warnings .pybuild/test_python3.13/tests/test_absorption.py: 1 warning .pybuild/test_python3.13/tests/test_chemenv.py: 14 warnings .pybuild/test_python3.13/tests/test_elasticity.py: 1 warning .pybuild/test_python3.13/tests/test_magnetism.py: 10 warnings .pybuild/test_python3.13/tests/test_oxidation_states.py: 14 warnings .pybuild/test_python3.13/tests/test_polar.py: 2 warnings .pybuild/test_python3.13/tests/test_provenance.py: 2 warnings .pybuild/test_python3.13/tests/test_thermo.py: 5 warnings .pybuild/test_python3.13/tests/test_xrd.py: 48 warnings .pybuild/test_python3.13/tests/vasp/test_vasp.py: 12 warnings /usr/lib/python3/dist-packages/pydantic/main.py:214: DeprecationWarning: datetime.datetime.utcnow() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.now(datetime.UTC). validated_self = self.__pydantic_validator__.validate_python(data, self_instance=self) .pybuild/test_python3.13/tests/molecules/test_bonds.py::test_bonding /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/molecules/test_bonds.py:15: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "liec_tasks.json.gz") as f: .pybuild/test_python3.13/tests/molecules/test_bonds.py::test_bonding /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/utils.py:255: FutureWarning: with_local_env_strategy is deprecated, and will be removed on 2025-03-20 Use from_local_env_strategy in pymatgen.analysis.graphs instead. Deprecated on 2024-03-29. mol_graph = MoleculeGraph.with_local_env_strategy(mol, OpenBabelNN()) .pybuild/test_python3.13/tests/molecules/test_bonds.py::test_bonding /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/molecules/bonds.py:278: FutureWarning: with_empty_graph is deprecated, and will be removed on 2025-03-20 Use from_empty_graph in pymatgen.analysis.graphs instead. Deprecated on 2024-03-29. mg = MoleculeGraph.with_empty_graph(mol) .pybuild/test_python3.13/tests/molecules/test_mol_thermo.py::test_thermo /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/molecules/test_mol_thermo.py:15: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "liec_tasks.json.gz") as f: .pybuild/test_python3.13/tests/molecules/test_vibration.py::test_vibration /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/molecules/test_vibration.py:14: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "liec_tasks.json.gz") as f: .pybuild/test_python3.13/tests/qchem/test_molecules.py::test_schema /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/qchem/test_molecules.py:84: PydanticDeprecatedSince20: The `schema` method is deprecated; use `model_json_schema` instead. Deprecated in Pydantic V2.0 to be removed in V3.0. See Pydantic V2 Migration Guide at https://errors.pydantic.dev/2.10/migration/ MoleculeDoc.schema() .pybuild/test_python3.13/tests/test_calculation.py: 8 warnings .pybuild/test_python3.13/tests/test_task.py: 6 warnings /usr/lib/python3/dist-packages/pymatgen/io/vasp/outputs.py:1260: UserWarning: No POTCAR file with matching TITEL fields was found in if potcar := self.get_potcars(path): .pybuild/test_python3.13/tests/test_calculation.py: 8 warnings .pybuild/test_python3.13/tests/test_task.py: 6 warnings /usr/lib/python3/dist-packages/pymatgen/io/vasp/outputs.py:1278: UserWarning: No POTCAR file with matching TITEL fields was found in potcar = self.get_potcars(path) .pybuild/test_python3.13/tests/test_elasticity.py: 84834 warnings /usr/lib/python3/dist-packages/pymatgen/core/tensors.py:287: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return sum(np.transpose(self, ind) for ind in perms) / len(perms) .pybuild/test_python3.13/tests/test_elasticity.py: 226232 warnings .pybuild/test_python3.13/tests/test_polar.py: 176 warnings /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2447: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) result = (less_equal(abs(x-y), atol + rtol * abs(y)) .pybuild/test_python3.13/tests/test_elasticity.py: 28279 warnings .pybuild/test_python3.13/tests/test_polar.py: 22 warnings /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2448: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) & isfinite(y) .pybuild/test_python3.13/tests/test_elasticity.py: 28279 warnings .pybuild/test_python3.13/tests/test_polar.py: 22 warnings /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2449: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) | (x == y)) .pybuild/test_python3.13/tests/test_elasticity.py: 28279 warnings .pybuild/test_python3.13/tests/test_polar.py: 22 warnings /usr/lib/python3/dist-packages/numpy/_core/_methods.py:73: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return umr_all(a, axis, dtype, out, keepdims) .pybuild/test_python3.13/tests/test_elasticity.py: 24 warnings /usr/lib/python3/dist-packages/pymatgen/analysis/elasticity/strain.py:196: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return cls(0.5 * (np.dot(dfm.trans, dfm) - np.eye(3))) .pybuild/test_python3.13/tests/test_elasticity.py: 48 warnings /usr/lib/python3/dist-packages/pymatgen/analysis/elasticity/stress.py:101: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return def_grad.det * np.dot(np.dot(def_grad.inv, self), def_grad.inv.trans) .pybuild/test_python3.13/tests/test_elasticity.py: 72 warnings /usr/lib/python3/dist-packages/pymatgen/analysis/elasticity/strain.py:253: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) ft_dot_f = 2 * strain + np.eye(3) .pybuild/test_python3.13/tests/test_elasticity.py: 96 warnings .pybuild/test_python3.13/tests/test_polar.py: 6 warnings /usr/lib/python3/dist-packages/pymatgen/core/tensors.py:110: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) new_tensor[abs(new_tensor) < tol] = 0 .pybuild/test_python3.13/tests/test_elasticity.py: 5940 warnings .pybuild/test_python3.13/tests/test_polar.py: 16 warnings /usr/lib/python3/dist-packages/pymatgen/core/tensors.py:364: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) if (self - self.transpose(transpose_seq) > tol).any(): .pybuild/test_python3.13/tests/test_elasticity.py: 2970 warnings .pybuild/test_python3.13/tests/test_polar.py: 8 warnings /usr/lib/python3/dist-packages/numpy/_core/_methods.py:64: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return umr_any(a, axis, dtype, out, keepdims) .pybuild/test_python3.13/tests/test_elasticity.py: 2 warnings .pybuild/test_python3.13/tests/test_polar.py: 10 warnings /usr/lib/python3/dist-packages/pymatgen/core/tensors.py:1021: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return vec if norm < 1e-8 else vec / norm .pybuild/test_python3.13/tests/test_elasticity.py: 2 warnings .pybuild/test_python3.13/tests/test_polar.py: 10 warnings /usr/lib/python3/dist-packages/pymatgen/core/tensors.py:992: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) new_y = y - np.dot(new_x, y) * new_x .pybuild/test_python3.13/tests/test_elasticity.py: 49 warnings .pybuild/test_python3.13/tests/test_polar.py: 113 warnings /usr/lib/python3/dist-packages/pymatgen/core/tensors.py:327: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return sum(self.transform(symm_op) for symm_op in symm_ops) / len(symm_ops) .pybuild/test_python3.13/tests/test_elasticity.py::test_from_deformations_and_stresses .pybuild/test_python3.13/tests/test_elasticity.py::test_from_deformations_and_stresses /usr/lib/python3/dist-packages/numpy/_core/fromnumeric.py:48: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) return conv.wrap(result, to_scalar=False) .pybuild/test_python3.13/tests/test_elasticity.py::test_from_deformations_and_stresses /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/elasticity.py:324: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) raw=(compliance * 1000).voigt.tolist(), .pybuild/test_python3.13/tests/test_elasticity.py::test_from_deformations_and_stresses /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/elasticity.py:325: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) ieee_format=(compliance_ieee * 1000).round(0).voigt.tolist(), .pybuild/test_python3.13/tests/test_electrodes.py::test_InsertionDocs /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/electrode.py:304: DeprecationWarning: datetime.datetime.utcnow() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.now(datetime.UTC). d["last_updated"] = datetime.utcnow() .pybuild/test_python3.13/tests/test_electrodes.py: 12 warnings /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/electrode.py:540: DeprecationWarning: datetime.datetime.utcnow() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.now(datetime.UTC). "last_updated": datetime.utcnow(), .pybuild/test_python3.13/tests/test_polar.py::test_dielectric /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/polar.py:57: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) total = ionic_tensor + electronic_tensor .pybuild/test_python3.13/tests/test_polar.py::test_dielectric .pybuild/test_python3.13/tests/test_polar.py::test_dielectric .pybuild/test_python3.13/tests/test_polar.py::test_dielectric .pybuild/test_python3.13/tests/test_polar.py::test_dielectric /usr/lib/python3/dist-packages/numpy/_core/_methods.py:135: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) ret = umr_sum(arr, axis, dtype, out, keepdims, where=where) .pybuild/test_python3.13/tests/test_polar.py::test_piezoelectric /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/polar.py:109: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) total: BasePiezoTensor = ionic_tensor + electronic_tensor # type: ignore[assignment] .pybuild/test_python3.13/tests/test_provenance.py::test_from_snls .pybuild/test_python3.13/tests/test_provenance.py::test_from_snls .pybuild/test_python3.13/tests/test_provenance.py::test_from_snls /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/test_provenance.py:24: DeprecationWarning: datetime.datetime.utcnow() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.now(datetime.UTC). created_at=datetime.utcnow(), .pybuild/test_python3.13/tests/test_provenance.py::test_from_snls /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/test_provenance.py:58: PydanticDeprecatedSince20: The `dict` method is deprecated; use `model_dump` instead. Deprecated in Pydantic V2.0 to be removed in V3.0. See Pydantic V2 Migration Guide at https://errors.pydantic.dev/2.10/migration/ assert doc.dict(exclude_none=True)["property_name"] == "provenance" .pybuild/test_python3.13/tests/test_structure_metadata.py::test_schema /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/test_structure_metadata.py:63: PydanticDeprecatedSince20: The `schema` method is deprecated; use `model_json_schema` instead. Deprecated in Pydantic V2.0 to be removed in V3.0. See Pydantic V2 Migration Guide at https://errors.pydantic.dev/2.10/migration/ StructureMetadata.schema() .pybuild/test_python3.13/tests/test_thermo.py::test_from_entries .pybuild/test_python3.13/tests/test_thermo.py::test_from_entries .pybuild/test_python3.13/tests/test_thermo.py::test_from_entries .pybuild/test_python3.13/tests/test_thermo.py::test_from_entries .pybuild/test_python3.13/tests/test_thermo.py::test_from_entries /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/thermo.py:254: DeprecationWarning: datetime.datetime.utcnow() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.now(datetime.UTC). last_updated=d.get("last_updated", datetime.utcnow()), .pybuild/test_python3.13/tests/test_xrd.py::test_schema /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/test_xrd.py:45: PydanticDeprecatedSince20: The `schema` method is deprecated; use `model_json_schema` instead. Deprecated in Pydantic V2.0 to be removed in V3.0. See Pydantic V2 Migration Guide at https://errors.pydantic.dev/2.10/migration/ XRDDoc.schema() .pybuild/test_python3.13/tests/vasp/test_materials.py::test_make_mat .pybuild/test_python3.13/tests/vasp/test_materials.py::test_make_deprecated_mat /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/vasp/test_materials.py:13: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "test_si_tasks.json.gz") as f: .pybuild/test_python3.13/tests/vasp/test_materials.py::test_schema /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/vasp/test_materials.py:48: PydanticDeprecatedSince20: The `schema` method is deprecated; use `model_json_schema` instead. Deprecated in Pydantic V2.0 to be removed in V3.0. See Pydantic V2 Migration Guide at https://errors.pydantic.dev/2.10/migration/ MaterialsDoc.schema() .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_task_type /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/vasp/calc_types/utils.py:77: DeprecationWarning: NotImplemented should not be used in a boolean context num_kpt_labels = len(list(filter(None.__ne__, kpt_labels))) .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_validator /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/vasp/test_vasp.py:46: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "test_si_tasks.json.gz") as f: .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_validator_magmom /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/vasp/test_vasp.py:61: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "task_doc_mp-2766060.json.gz") as f: .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_validator_failed_symmetry /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/vasp/test_vasp.py:91: FutureWarning: We strongly discourage using implicit binary/text `mode`, and this would not be allowed after 2025-06-01. I.e. you should pass t/b in `mode`. with zopen(test_dir / "failed_elastic_task.json.gz", "r") as f: .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_ldau /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/vasp/test_vasp.py:106: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "test_task.json") as f: .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_ldau_validation /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/vasp/validation.py:182: UserWarning: Co without an oxidation state is initialized as low spin by default in Pymatgen. If this default behavior is not desired, please set the spin on the magmom on the site directly to ensure correct initialization. valid_ismear = valid_input_set.incar.get("ISMEAR", 1) .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_ldau_validation /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/vasp/validation.py:193: UserWarning: Co without an oxidation state is initialized as low spin by default in Pymatgen. If this default behavior is not desired, please set the spin on the magmom on the site directly to ensure correct initialization. valid_encut = valid_input_set.incar["ENCUT"] .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_ldau_validation /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/vasp/validation.py:278: UserWarning: Co without an oxidation state is initialized as low spin by default in Pymatgen. If this default behavior is not desired, please set the spin on the magmom on the site directly to ensure correct initialization. if valid_input_set.incar.get("LDAU", False) or len(input_hubbards) > 0: .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_ldau_validation /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/cpython3_3.13_emmet-core/build/emmet/core/vasp/validation.py:283: UserWarning: Co without an oxidation state is initialized as low spin by default in Pymatgen. If this default behavior is not desired, please set the spin on the magmom on the site directly to ensure correct initialization. valid_input_set.incar.get("LDAUU", []), .pybuild/test_python3.13/tests/vasp/test_vasp.py::test_potcar_stats_check /build/reproducible-path/python-emmet-core-0.84.2/.pybuild/test_python3.13/tests/vasp/test_vasp.py:133: FutureWarning: We strongly discourage using a default `mode`, it would be set to `r` now but would not be allowed after 2025-06-01 with zopen(test_dir / "CoF_TaskDoc.json") as f: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html ======= 167 passed, 23 skipped, 9 deselected, 405741 warnings in 36.44s ======== make[1]: Leaving directory '/build/reproducible-path/python-emmet-core-0.84.2' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild dh_prep -O--buildsystem=pybuild dh_auto_install --destdir=debian/python3-emmet-core/ -O--buildsystem=pybuild I: pybuild plugin_pyproject:178: Copying package built for python3.13 to destdir dh_installdocs -O--buildsystem=pybuild dh_installchangelogs -O--buildsystem=pybuild dh_python3 -O--buildsystem=pybuild 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_installdeb -O--buildsystem=pybuild dh_gencontrol -O--buildsystem=pybuild dh_md5sums -O--buildsystem=pybuild dh_builddeb -O--buildsystem=pybuild dpkg-deb: building package 'python3-emmet-core' in '../python3-emmet-core_0.84.2-2_all.deb'. dpkg-genbuildinfo --build=binary -O../python-emmet-core_0.84.2-2_amd64.buildinfo dpkg-genchanges --build=binary -O../python-emmet-core_0.84.2-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-source: info: using options from python-emmet-core-0.84.2/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/2528985 and its subdirectories I: Current time: Thu Apr 9 23:52:52 -12 2026 I: pbuilder-time-stamp: 1775821972 Sat Mar 8 05:30:19 UTC 2025 I: 1st build successful. Starting 2nd build on remote node infom01-amd64.debian.net. Sat Mar 8 05:30:19 UTC 2025 I: Preparing to do remote build '2' on infom01-amd64.debian.net. Sat Mar 8 05:37:03 UTC 2025 I: Deleting $TMPDIR on infom01-amd64.debian.net. Sat Mar 8 05:37:03 UTC 2025 I: python-emmet-core_0.84.2-2_amd64.changes: Format: 1.8 Date: Mon, 17 Feb 2025 10:33:39 +0100 Source: python-emmet-core Binary: python3-emmet-core Architecture: all Version: 0.84.2-2 Distribution: unstable Urgency: medium Maintainer: Debichem Team Changed-By: Drew Parsons Description: python3-emmet-core - Core models for the Materials Project (Python 3) Changes: python-emmet-core (0.84.2-2) unstable; urgency=medium . * python3-emmet-core Depends: python3-openmm Checksums-Sha1: bed57a20605e14622380dcf8f4beae7c30535f57 11379 python-emmet-core_0.84.2-2_amd64.buildinfo c4dabde919b5eccda6470a22f13732dfbd4eba2a 131624 python3-emmet-core_0.84.2-2_all.deb Checksums-Sha256: 2fca9dcadacda059756425b839bb70d565e21b66ddbfa82413a7bf495003607e 11379 python-emmet-core_0.84.2-2_amd64.buildinfo a5cff69f3a39309886ae9353ae8fcd9dba042053dccf9a600e284bc2a20f5a9c 131624 python3-emmet-core_0.84.2-2_all.deb Files: 1119bf2fc80dd5c92318a9564d33b977 11379 python optional python-emmet-core_0.84.2-2_amd64.buildinfo 230a486ab971b2ef7fa63216829cc82a 131624 python optional python3-emmet-core_0.84.2-2_all.deb Sat Mar 8 05:37:04 UTC 2025 I: diffoscope 289 will be used to compare the two builds: Running as unit: rb-diffoscope-amd64_36-51546.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.RyhMttme/python-emmet-core_0.84.2-2.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.RyhMttme/python-emmet-core_0.84.2-2.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.RyhMttme/python-emmet-core_0.84.2-2.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.RyhMttme/b1/python-emmet-core_0.84.2-2_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.RyhMttme/b2/python-emmet-core_0.84.2-2_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 diffoscope.comparators.binary.FilesystemFile ## main (total time: 0.003s) 0.003s 2 calls outputs 0.000s 1 call cleanup Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 229ms CPU time consumed: 231ms Sat Mar 8 05:37:05 UTC 2025 I: diffoscope 289 found no differences in the changes files, and a .buildinfo file also exists. Sat Mar 8 05:37:05 UTC 2025 I: python-emmet-core from trixie built successfully and reproducibly on amd64. Sat Mar 8 05:37:06 UTC 2025 I: Submitting .buildinfo files to external archives: Sat Mar 8 05:37:06 UTC 2025 I: Submitting 12K b1/python-emmet-core_0.84.2-2_amd64.buildinfo.asc Sat Mar 8 05:37:10 UTC 2025 I: Submitting 12K b2/python-emmet-core_0.84.2-2_amd64.buildinfo.asc Sat Mar 8 05:37:13 UTC 2025 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Sat Mar 8 05:37:13 UTC 2025 I: Done submitting .buildinfo files. Sat Mar 8 05:37:13 UTC 2025 I: Removing signed python-emmet-core_0.84.2-2_amd64.buildinfo.asc files: removed './b1/python-emmet-core_0.84.2-2_amd64.buildinfo.asc' removed './b2/python-emmet-core_0.84.2-2_amd64.buildinfo.asc'