pymatgen-core (2026.4.7+dfsg1-4) unstable; urgency=medium * update debian patch manage_tests.patch to add core/test_lattice.py: skip test_init on 32-bit systems (it tests a 64-bit hash) * debian patch manage_tests_bigendian.patch skips tests failing on big-endian systems (s390x, ppc64 etc). Skip TestWavecar, TestWaveder, test_read_fe in io/vasp/test_outputs.py, io/abinit/test_netcdf.py, test file reading in io/vasp/test_optics.py, test_process_parsed_hess scipy fortran file reading in test_process_parsed_hess io/test_wannier90.py -- Drew Parsons Sun, 24 May 2026 11:53:29 +0200 pymatgen-core (2026.4.7+dfsg1-3) unstable; urgency=medium * add missing copyright entries - src/pymatgen/util/due.py Yaroslav Halchenko, Matteo Visconti di Oleggio Castello, DueCredit, BSD-2 - docs/_modules/abc.html, Python Software Foundation, Google, Inc., PSFLv2 - dos.py (electronic_structure, phonon) Florian Knoop, Thomas A.R.Purcell, Matthias Scheffler, Christian Carbogno, MIT - Free Software Foundation mentioned in symm_ops.yaml is the author of the GPL, not this code - docs from MIT & LBNL, Materials Project and Pymatgen Development Team: these are the authors (copyright holders) of this very same project, already listed under the default MIT licence -- Drew Parsons Sat, 23 May 2026 16:18:59 +0200 pymatgen-core (2026.4.7+dfsg1-2) unstable; urgency=medium * add specific entries to debian/copyright - docs/proBlue/* © 2010, Kasey Kelly, Issac Kelly - src/pymatgen/symmetry/symm_ops.yaml GPL-2 - src/pymatgen/util/graph_hashing.py and test_graph_hashing.py BSD-3 © 2004-2022, NetworkX - tests/core/elasticity/test_elastic.py central_diff_weights() in test_get_diff_coeff() is taken from scipy, licensed under the BSD 3. The remainder is standard pymatgen (MIT). * Build-Depends: python3-pytest-xdist . Required to support the pytest -n argument in pyproject.toml. Also Build-Depends: python3-pytest-cov. pyproject.toml also declares pytest-split, but it is not available and can be ignored. * debian/patches/io_lammps_re_match.patch enables lammps test test_parse_lammps_dumps to pass. parse_lammps_dumps uses re.match, which fails if + appears in TEST_DIR (e.g. the + in +dfsg1 when the debian version appears in the path during chroot builds). Escape any \+ in the lammps file path to prevent it interfering with the regexp. Replace any Windows slashes (\\) first to avoid interfering with \+. -- Drew Parsons Fri, 22 May 2026 00:31:15 +0200 pymatgen-core (2026.4.7+dfsg1-1) unstable; urgency=medium * initial debianisation. Closes: #1132990 - no doc package, doc build is not yet functioning - Conflicts, Replaces: python3-pymatgen (<< 2026.3.23~) * Build-Depends: pymatgen-core-test-files . Upstream has split test-files, those for pymatgen-core are not (always) the same as for the pymatgen main package. Copy test-files to writable PMG_TEST_FILES_DIR since some tests need write permissions. * debian patch manage_tests.patch skips tests missing test files and facilitates smoother conditions for tests to pass - skip test_cif_parser_springer_pauling in io/test_cif.py (Springer Pauling CIFs are excluded due to non-free licence) - test_construction in core/test_graphs.py and test_structural_change in io/qchem/test_outputs.py (required test files are not provided by pymatgen-core source) - use Agg backend in test_matplotlib_plots (analysis/test_phase_diagram.py) for a headless test without showing the test plot window itself - give test_chdir_behavior(), test_no_return_and_box() in test_packmol.py a timeout of 120 sec (default 30 sec often fails) * debian patch pmg_no_script.patch drops generation of /usr/bin/pmg pymatgen.cli.pmg is in pymatgen, not pymatgen-core * remove C files generated by cython after dh_auto_clean * use help2man to generate a man page for the pmg executable -- Drew Parsons Wed, 15 Apr 2026 01:54:44 +0200