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 <!nocheck>.
    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 <dparsons@debian.org>  Wed, 15 Apr 2026 01:54:44 +0200
