pymatgen (2026.3.23+dfsg1-1) unstable; urgency=medium

  * New upstream release
    - massive refactoring, moving many components into separate
      pymatgen-core package and therefore removing test files.
      Removes io/vasp (test_outputs.py). Closes: #1030722.
      Removes io/test_packmol.py. Closes: #1118027.
      Deprecates debian patches:
       do-not-access-internet-during-build.patch
       skip-performance-tests.patch
       skip_nonfree_testfile.patch
       tests_init.patch
       test_files_writing.patch
       test_lammps_regex_path.patch
       tests_pass_or_skip.patch
    - set python3-pymatgen to Architecture: all
      Binary (cython) extensions have been moved to pymatgen-core
    - Build-Depends: python3-pymatgen-core
    - update versioned Build-Depends: python3-netcdf4 (>= 1.7.2~)
    - moves tests/files to test-files
      (update Files-Excluded: in debian/copyright)
  * debian patch move_pymatgen-core_9ac43d4.patch applies upstream
    commit 9ac43d4 removing files which have been moved to pymatgen-core
  * pymatgen-test-files moved test files to test-files subdir
    Test Depends: pymatgen-test-files (>= 2026.3.23~)
  * debian patch manage_tests.patch helps tests to pass smoothly
    - analysis/test_phase_diagram.py: run matplotlib test with Agg
      backend to not display the plot window itself
  * drop all test skips. Clean sweep for new refactored version.
    - skip test_pmg_view in test_pmg.py (generates an XIO error when
      shutting down (after successfully running the test)
  * update debian/watch to v5 GitHub template
    - use Dversion-Mangle: auto
    - add explicit Uversion-Mangle to catch older alpha (a)
      and beta (b) releases
  * Standards-Version: 4.7.4

 -- Drew Parsons <dparsons@debian.org>  Tue, 26 May 2026 14:42:16 +0200

pymatgen (2025.10.7+dfsg1-1) unstable; urgency=medium

  * New upstream release
    - works with NumPy 2.3. Closes: #1114711
    - applies debian patches CVE-2022-42964_ReDOS_vulnerability.patch
      and fix-build-with-new-uncertainties.patch
    - Build-Depends: python3-bibtexparser instead of python3-pybtex
    - Build-Depends: pymatgen-test-files (>= 2025.10.7~)
    - Build-Depends: python3-orjson
  * drop Build-Depends: python3-vtk9 | python3-paraview
    (crashes with vtk9 9.3.0). Keep Recommends for run-time.
  * debian patch test_no_moyopy.patch skips tests using moyopy
    (in analysis/test_prototypes.py), which is not (yet) packaged
  * drop debian/tests/test-pymatgen-net, since network tests
    (ext/test_cod.py) have been disabled upstream
  * Standards-Version: 4.7.2

 -- Drew Parsons <dparsons@debian.org>  Mon, 13 Oct 2025 01:29:18 +0200

pymatgen (2025.2.18+dfsg1-5) unstable; urgency=medium

  * Team upload.
  * Fix build with new uncertainties. Closes: #1106436.
  * Do not try to access Internet during build. Closes: #1107280.
  * Skip performance tests, as they fail in Salsa CI.
  * Change BD from python3-numpy to python3-numpy-dev (lintian error).

 -- Santiago Vila <sanvila@debian.org>  Sun, 08 Jun 2025 10:45:00 +0200

pymatgen (2025.2.18+dfsg1-4) unstable; urgency=medium

  * debian/tests: use quotes with SKIP_TEST_LIST to enable multiword
    entries (needed for riscv64)

 -- Drew Parsons <dparsons@debian.org>  Thu, 27 Feb 2025 11:52:14 +0100

pymatgen (2025.2.18+dfsg1-3) unstable; urgency=medium

  * fix setting EXTRA_TEST_FLAGS for debian/tests

 -- Drew Parsons <dparsons@debian.org>  Tue, 25 Feb 2025 22:38:14 +0100

pymatgen (2025.2.18+dfsg1-2) unstable; urgency=medium

  * skip slowest tests on riscv64 to help avoid timeout:
    test_xrd test_volume_predictor test_structure test_tensors
    test_boltztrap test_optics test_outputs test_dos.
    Add verbose flag.
  * sparc64: skip failing tests
  * debian/tests: report 30 slowest tests

 -- Drew Parsons <dparsons@debian.org>  Tue, 25 Feb 2025 11:42:24 +0100

pymatgen (2025.2.18+dfsg1-1) unstable; urgency=medium

  * New upstream release
    - applies debian patches 32bit_indexing_PR4194.patch,
      fix_abinit_header_PR4223.patch, test_deprecated_scipy.patch
    - update versioned Build-Depends: python3-monty (>= 2025.1.9~),
      python3-plotly (>= 5.0.0~), python3-phonopy (>= 2.33.3~),
      pymatgen-test-files (>= 2025.2.18~)
  * update tests_pass_or_skip.patch to drop moyopy symmetry test in
    test_structure.py (moyopy is not yet packaged for debian)

 -- Drew Parsons <dparsons@debian.org>  Fri, 21 Feb 2025 01:34:10 +0100

pymatgen (2024.10.29+dfsg1-5) unstable; urgency=medium

  * drop Build-Depends: python3-emmet-core
    (circular dependency removed upstream)
  * update debian patches
    - test_deprecated_scipy.patch works around use of
      deprecated scipy functions
    - fix_abinit_header_PR4223.patch applies upstream PR#4223
      to fix handling of headers in abinit io
    - test_tolerance.patch relax tolerance in test_eos
    - tests_pass_or_skip.patch: skip test_param_dict in io/exciting
      due to inconsistent test data
  * debian/tests Depends: python3-all to support `py3versions -s`

 -- Drew Parsons <dparsons@debian.org>  Thu, 13 Feb 2025 17:13:27 +0100

pymatgen (2024.10.29+dfsg1-4) unstable; urgency=medium

  * replace debian patch neighbor_set_int64.patch with
    32bit_indexing_PR4194.patch. Applies upstream PR#4194 to fix
    indexing on 32-bit systems.
  * run tests over all supported python versions

 -- Drew Parsons <dparsons@debian.org>  Sun, 24 Nov 2024 14:16:07 +0100

pymatgen (2024.10.29+dfsg1-3) unstable; urgency=medium

  * revert and reset debian patch neighbor_set_int64.patch to use intp
    instead of int64 when creating separation indices
  * skip test_relax_ase_return_traj on mips64el
  * skip test_read_fe (abinit/test_netcdf.py) on s390x and ppc64.
    Is it a bigendian netCDF issue? Assume hppa, powerpc also affected.

 -- Drew Parsons <dparsons@debian.org>  Sun, 10 Nov 2024 10:12:06 +0100

pymatgen (2024.10.29+dfsg1-2) unstable; urgency=medium

  * add debian patches
    - test_tolerance.patch fixes tolerances to enable tests
      to pass. cf. upstream issue#4158
    - neighbor_set_int64.patch uses separation_indices as dtype intp,
      needed on 32-bit arches since the dtype of neighbour set indices
      is explicitly set to int64 at coordination_geometry_finder.py l.1738
  * add test_relax_ase_opt_kwargs to mips64el skip list
  * handle spaces in complex test skips for riscv64 by placing them
    last. Otherwise would need quotes "${SKIP_TEST_LIST[@]}" in every
    entry when building the list.

 -- Drew Parsons <dparsons@debian.org>  Sat, 09 Nov 2024 19:39:01 +0100

pymatgen (2024.10.29+dfsg1-1) unstable; urgency=medium

  * New upstream release
    - Build-Depends: pymatgen-test-files (>= 2024.10.29~)
    - update versioned Build-Depends: python3-monty (>= 2024.7.29~),
      python3-networkx (>= 3~), python3-palettable (>= 3.3.3~),
      python3-spglib (>= 2.5.0~). Closes: #1081680, #1082571.
  * update package Recommends: python3-ase (>= 3.23.0~)
    to match Build-Depends.
  * refresh debian patches: source moved to src subdir
  * update debian patch test_lammps_regex_path.patch to use raw string
    r"\+" to treat '+' in "+dfsg" as a literal plus. Closes: #1085812.
  * Build-Depends: allow python3-paraview as an alternative to python3-vtk9.
    python3-pymatgen Recommends: python3-vtk9 | python3-paraview
  * Drop explicit Depends: python3-spglib from python3-pymatgen.
    Dependency is automated by dh_python3.

 -- Drew Parsons <dparsons@debian.org>  Fri, 08 Nov 2024 10:46:09 +0100

pymatgen (2024.6.10+dfsg1-8) unstable; urgency=medium

  * python3-mp-api is out-of-date (needs maggma, which is not yet
    packaged), so drop to Suggests: rather than Recommends.
    Drop python3-mp-api from Build-Depends and debian/tests Depends.
    See Bug#1078531.

 -- Drew Parsons <dparsons@debian.org>  Mon, 12 Aug 2024 01:55:38 +0200

pymatgen (2024.6.10+dfsg1-7) unstable; urgency=medium

  * riscv64: skip test_rotate_sites

 -- Drew Parsons <dparsons@debian.org>  Sun, 11 Aug 2024 07:47:06 +0200

pymatgen (2024.6.10+dfsg1-6) unstable; urgency=medium

  * riscv64: skip test_relax_ase_return_traj

 -- Drew Parsons <dparsons@debian.org>  Sat, 10 Aug 2024 03:03:51 +0200

pymatgen (2024.6.10+dfsg1-5) unstable; urgency=medium

  * riscv64: skip test_relax_ase_opt_kwargs
  * run build tests verbose (-v) on mips64el
  * Standards-Version: 4.7.0

 -- Drew Parsons <dparsons@debian.org>  Fri, 09 Aug 2024 01:07:29 +0200

pymatgen (2024.6.10+dfsg1-4) unstable; urgency=medium

  * debian/patches/tests_pass_or_skip.patch: fix spelling of
    pytest.mark.skipif

 -- Drew Parsons <dparsons@debian.org>  Sun, 04 Aug 2024 15:08:10 +0200

pymatgen (2024.6.10+dfsg1-3) unstable; urgency=medium

  * update debian patch tests_pass_or_skip.patch
    - analysis/test_quasi_harmonic_debye_approx.py:
      relax tolerance in test_gruneisen_parameter
    - analysis/test_reaction_calculator.py:
      test_hash requires 64-bits, skip on 32-bit systems
  * apply EXTRA_TEST_FLAGS to build tests:
    add extra -v to riscv64 to identify stalling test

 -- Drew Parsons <dparsons@debian.org>  Sun, 04 Aug 2024 09:51:20 +0200

pymatgen (2024.6.10+dfsg1-2) unstable; urgency=medium

  * Build-Depends: python3-emmet-core, python3-mp-api <!nocheck>

 -- Drew Parsons <dparsons@debian.org>  Sat, 03 Aug 2024 19:55:39 +0200

pymatgen (2024.6.10+dfsg1-1) unstable; urgency=medium

  * New upstream release
    - supports Python 3.12. Closes: #1069219.
    - Build-Depends: cython3
    - applies debian patch
      CVE-2024-23346_JonesFaithfulTransformation_sympy-c231cbd.patch
    - update versioned Build-Depends
      python3-matplotlib (>= 3.8~),
      python3-monty (>= 2024.5.24~),
      python3-pandas (>= 2~),
      python3-pybtex (>= 0.24.0~),
      python3-requests (>= 2.32~),
      python3-scipy (>= 1.13.0~),
      python3-tabulate (>= 0.9~),
      python3-tqdm (>= 4.60~),
      python3-joblib (>= 1~),
      python3-ase (>= 3.23.0~),
      python3-h5py (>= 3.11.0~),
      python3-netcdf4 (>= 1.6.5~),
      python3-phonopy (>= 2.23~),
      python3-openbabel (>= 3.1.1~)
  * Build-Depends: pymatgen-test-files (>= 2024.6.10~)
  * debian/copyright: drop cmd_line from Files-Excluded
  * update debian patches
    - skip_nonfree_testfile.patch: use pytest skip mark not unittest
    - remove deprecated unittest skips from tests_pass_or_skip.patch
    - new test_files_writing.patch runs io qchem write tests
      in a tmpdir if the testdir is not writable. Use a class level
      fixture with tmp_path_factory, since pytest fixtures cannot be
      used as test arguments in unittest.TestCase subclasses.
  * debian/rules: execute dh_numpy3 after dh_python3

 -- Drew Parsons <dparsons@debian.org>  Sat, 03 Aug 2024 15:04:14 +0200

pymatgen (2024.1.27+dfsg1-7) unstable; urgency=medium

  * do not run packmol tests on armel or riscv64
    (the tests timeout on these systems)

 -- Drew Parsons <dparsons@debian.org>  Mon, 26 Feb 2024 16:38:40 +0100

pymatgen (2024.1.27+dfsg1-6) unstable; urgency=medium

  * debian/tests test-pymatgen Depends: packmol
    for io/test_packmol.py. Also Build-Depends.
  * debian patch for CVE-2024-23346
    CVE-2024-23346_JonesFaithfulTransformation_sympy-c231cbd.patch
    applies upstream commit c231cbd to fix security vulnerability in
    JonesFaithfulTransformation. Closes: #1064514.

 -- Drew Parsons <dparsons@debian.org>  Mon, 26 Feb 2024 00:56:58 +0100

pymatgen (2024.1.27+dfsg1-5) unstable; urgency=medium

  * skip TestAnharmonicQuasiharmociDebyeApprox.test_gruneisen_parameter
    on riscv64 as well

 -- Drew Parsons <dparsons@debian.org>  Sat, 03 Feb 2024 22:27:07 +0100

pymatgen (2024.1.27+dfsg1-4) unstable; urgency=medium

  * skip TestAnharmonicQuasiharmociDebyeApprox.test_gruneisen_parameter
    from analysis/test_quasiharmonic_debye_approx.py
    on arm64, i386, ppc64el, s390x

 -- Drew Parsons <dparsons@debian.org>  Sat, 03 Feb 2024 12:24:51 +0100

pymatgen (2024.1.27+dfsg1-3) unstable; urgency=medium

  * update failing tests to skip
    - add powerpc to BAD_VASP_ARCH_LIST with s390x hppa ppc64
    - i386: test_numerical_eoswrapper
    - hppa: test_cohp
    - powerpc: test_pmg_structure
  * pytest -v not -vv in debian/tests (test-pymatgen)
  * new version works with pandas 2. Closes: #1053939.

 -- Drew Parsons <dparsons@debian.org>  Fri, 02 Feb 2024 19:18:44 +0100

pymatgen (2024.1.27+dfsg1-2) experimental; urgency=medium

  * provide PATH to scripts (pmg) during build-time tests

 -- Drew Parsons <dparsons@debian.org>  Thu, 01 Feb 2024 11:03:03 +0100

pymatgen (2024.1.27+dfsg1-1) experimental; urgency=medium

  [ Andreas Tille ]
  * Use sphinx-build to generate docs
  * add debian/salsa-ci.yml (thanks Andreas Tille)
  * Rules-Requires-Root: no (routine-update, Andreas Tille)
  * Exclude sphinx_markdown_builder extension

  [ Drew Parsons ]
  * New upstream release
    - update Build-Depends: python3-joblib (new)
      python3-numpy (>= 1.25.0~),
      python3-h5py (>= 3.8.0~),
    - tests now located in separate tests dir
    - applies or deprecates debian patches:
      skip_failing_WulffShapeTest.patch
      docs_no_local_python.patch
      openbabel_OBAlign.patch
      no_mp_api_emmet.patch
      remove_monty_unicode2str_a8199919.diff
      test_raise_match.patch
  * update debian/copyright
    - docs now buildable, don't exclude
    - excluded test files moved to tests/files
  * update versioned Build-Depends: pymatgen-test-files (>= 2024.1.27~)
    and test file path
  * update debian patch no_mp_api_emmet.patch to stop handling matproj
    (which may not be available) in util/testing.py
  * add debian patches
    - tests_init.patch adds __init__.py to tests dir.
      Required so pytest can import tests.
    - tests_pass_or_skip.patch fixes broken tests
    - docs_index.patch puts content into index.rst
      (copies pymatgen.rst)
  * run pytest with --import-mode=prepend (build-time tests only)
  * skip SeeK tests in io/pwmat/test_inputs.py (TestGenKpt,
    TestHighSymmetryPoint) since SeeK is not available
  * update docs privacy fixes: don't remove google-analytics.com or
    replace svg badges (since they are no longer injected into docs)
  * skip test_get_parchg on loong64. Closes: #1061545.

 -- Drew Parsons <dparsons@debian.org>  Thu, 01 Feb 2024 02:03:39 +0100

pymatgen (2023.06.23+dfsg1-4) unstable; urgency=medium

  * debian/tests: skip test_rotor_search_wrs, which is slow and
    sometimes times out. Closes: #1058662.
  * python3-pymatgen Depends: python3-spglib (>= 2.0.2~)
    (spglib is not identified by dh_python3, Bug#1061357)
  * python3-pymatgen Recommends: python3-ase (>= 3.22.1~)
    (optional dependency)

 -- Drew Parsons <dparsons@debian.org>  Tue, 23 Jan 2024 00:40:19 +0100

pymatgen (2023.06.23+dfsg1-3) unstable; urgency=medium

  * add debian patches
    - remove_monty_unicode2str_a8199919.diff applies upstream commit
      a8199919 to remove usage of deprecated unicode2str function from
      monty. Closes: #1058040.
    - skip_test_zsl.patch skips test_zsl in numba is available, since
      it is incompatible with current numba
  * delete generated files after dh_auto_clean. Closes: #1045877.
  * Build-Depends: cython3-legacy. Closes: #1056841.

 -- Drew Parsons <dparsons@debian.org>  Sat, 20 Jan 2024 01:39:27 +0100

pymatgen (2023.06.23+dfsg1-2) unstable; urgency=medium

  * mips64el: skip test_from_diff_fit in test_elastic.py
    cf. https://github.com/materialsproject/pymatgen/issues/3112
  * skip VASP tests (and others) on hppa, same as s390x, ppc64

 -- Drew Parsons <dparsons@debian.org>  Wed, 28 Jun 2023 13:47:17 +0200

pymatgen (2023.06.23+dfsg1-1) unstable; urgency=medium

  * New upstream release
    - fixes floating point tests that failed on i386
      (see upstream Issue#3087)
  * CVE-2022-42964: add debian patch
    CVE-2022-42964_ReDOS_vulnerability.patch to apply a patch suggested
    in upstream Issue#2755 to resolve a Regular Expression Denial of
    Service. Closes: #1024017.
  * Build-Depends: python3-frozendict
  * Versioned Depends: python3-mp-api (>= 0.27.3~)
  * update debian patch skip_failing_WulffShapeTest.patch to skip
    tests using pytest not unittest
  * debian patch test_raise_match.patch aligns string of ValueError,
    see upstream Issue#3106.
  * skip MoleculeMatcherTest.test_fit in test_molecule_matcher.py
    which fails for some reason ("arg 2 is double")

 -- Drew Parsons <dparsons@debian.org>  Mon, 26 Jun 2023 23:46:20 +0200

pymatgen (2023.05.31+dfsg1-1) unstable; urgency=medium

  * New upstream release.
    - applies debian patch test_fp_comparison.patch
  * skip analysis fragmenter test
    test_babel_PC_with_RO_depth_0_vs_depth_10
    (see https://github.com/materialsproject/pymatgen/issues/3078)
  * rename debian patch no_mp_api.patch as no_mp_api_emmet.patch
    to add emmet.core handling in util/tests/test_graph_hashing.py
    - add Depends: python3-emmet-core to debian/tests

 -- Drew Parsons <dparsons@debian.org>  Mon, 19 Jun 2023 13:04:02 +0200

pymatgen (2023.2.22+dfsg1-4) experimental; urgency=medium

  * debian/control: drop Testsuite: autopkgtest-pkg-python
    (it is redundant since debian/tests is used, and makes debci logs
     harder to read)
  * ppc64el: skip test_numerical_eoswrapper

 -- Drew Parsons <dparsons@debian.org>  Wed, 01 Mar 2023 12:16:30 +0100

pymatgen (2023.2.22+dfsg1-3) experimental; urgency=medium

  * mips64el: skip VASP test_standard
  * s390x, ppc64: skip test_process_parsed_HESS

 -- Drew Parsons <dparsons@debian.org>  Wed, 01 Mar 2023 00:04:04 +0100

pymatgen (2023.2.22+dfsg1-2) experimental; urgency=medium

  * debian patch test_fp_comparison.patch fixes
    test_get_dos_fp_similarity in test_dos.py to use floating point
    comparison. See upstream Issue#2866.

 -- Drew Parsons <dparsons@debian.org>  Tue, 28 Feb 2023 13:17:02 +0100

pymatgen (2023.2.22+dfsg1-1) experimental; urgency=medium

  * New upstream release
    - applies debian patches,
      fix_phonon_bandstructures_7ba41e0.patch
      numpy_1.24.patch
      stress_fp_approx_2839.patch
      test_lammps_sorted.patch
      test_piezo_4538090.patch
      test_piezo_sensitivity_99b5cd7.patch
    - update versioned Build-Depends
      python3-ruamel.yaml (>= 0.17.0~),
      python3-ase (>= 3.22.1~),
      python3-netcdf4 (>= 1.5.8~)
    - Build-Depends: pymatgen-test-files (>= 2023.2.22~)
      (electronic_structure test_plotter.py needs SrBa2Sn2O7.json)
  * skip failing tests
    - BSDOSPlotterTest (times out)
    - test_cdft_dc_parsing (requires write permissions)
  * rename debian patch docs_mathjax_local.patch as
    docs_libjs_local.patch and add local reference to jquery.min.js
  * test_get_structure_by_id requires internet
    (www.crystallography.net), so skip at build time and run
    separately in test-pymatgen-net from debian/tests

 -- Drew Parsons <dparsons@debian.org>  Tue, 28 Feb 2023 11:54:27 +0100

pymatgen (2022.11.7+dfsg1-11) unstable; urgency=medium

  * debian/tests: run tests verbose to help identify tests that timeout
  * debian/tests: skip test_rotor_search_rrs (not test_localopt) from
    test_babel.py. "7th item" for #1031705 was incorrectly identified.

 -- Drew Parsons <dparsons@debian.org>  Sun, 26 Feb 2023 14:09:26 +0100

pymatgen (2022.11.7+dfsg1-10) unstable; urgency=medium

  * debian/tests: skip test_localopt from io test_babel.py, which
    intermittently times out. Closes: #1031705.

 -- Drew Parsons <dparsons@debian.org>  Sat, 25 Feb 2023 14:07:46 +0100

pymatgen (2022.11.7+dfsg1-9) unstable; urgency=medium

  * hurd-i386: skip failing build tests, test_pca
    test_get_info_cohps_to_neighbors test_get_parchg
    test_as_dict_from_dict test_ir_spectra
  * clean .c files generated from .pyx

 -- Drew Parsons <dparsons@debian.org>  Tue, 14 Feb 2023 00:33:10 +0100

pymatgen (2022.11.7+dfsg1-8) unstable; urgency=medium

  * debian patch stress_fp_approx_2839.patch fixes floating point
    comparison in test_stress.py for hurd-i386.
    See https://github.com/materialsproject/pymatgen/issues/2839
  * resolve pymatgen/mp_api circular dependency by removing
    python3-mp-api from Build-Depends and set
    python3-pymatgen Recommends: python3-mp-api instead of Depends:
    Skip build-time test_matproj.py (mp_api is only used by
    ext/matproj.py) and add Depends: python3-mp-api to debian/tests.
    In practice the matproj tests are skipped anyway since an MP API
    key is not available.
    - reinstate debian patch no_mp_api.patch to enable tests to run
      without mp_api

 -- Drew Parsons <dparsons@debian.org>  Mon, 13 Feb 2023 11:49:16 +0100

pymatgen (2022.11.7+dfsg1-7) unstable; urgency=medium

  * skip failing tests
    - s390x, ppc64: test__generate_nbmax test_evaluate_wavefunc
      test_fft_mesh_advanced test_fft_mesh_basic test_get_parchg
      test_n2_45210 test_n2_spin test_standard test_write_unks
      test_consistency (tests from io/vasp)
    - hurd-i386: skip all plot tests (matplotlib on hurd fails with
      _tkinter.TclError: no display name and no $DISPLAY environment
      variable

 -- Drew Parsons <dparsons@debian.org>  Wed, 08 Feb 2023 17:07:44 +0100

pymatgen (2022.11.7+dfsg1-6) unstable; urgency=medium

  * skip failing tests
    - s390x, ppc64: skip test__generate_G_points
    - hurd-i386: test_plot
  * debian/tests: ease maintenance by only skipping run-time tests on
    debci-tested arches (release arches and riscv64)

 -- Drew Parsons <dparsons@debian.org>  Wed, 08 Feb 2023 11:54:37 +0100

pymatgen (2022.11.7+dfsg1-5) unstable; urgency=medium

  * skip failing build tests
    - s390x, ppc64: test_optics
    - hurd-i386: test_pca

 -- Drew Parsons <dparsons@debian.org>  Wed, 08 Feb 2023 09:32:07 +0100

pymatgen (2022.11.7+dfsg1-4) unstable; urgency=medium

  * skip failing tests
    - mips64el: test_pca
    - s390x, ppc64: test_from_file
    - hurd-i386: test_get_plot

 -- Drew Parsons <dparsons@debian.org>  Tue, 07 Feb 2023 11:35:19 +0100

pymatgen (2022.11.7+dfsg1-3) unstable; urgency=medium

  * skip failing tests
    - arm64, i386, ppc64el, riscv64: test_get_parchg
    - s390x, ppc64: test_spillage_from_vasprun
    - hurd-i386: test_structure_environments
  * Build-Depends:  python3-mp-api
    - drop debian/patches/no_mp_api.patch

 -- Drew Parsons <dparsons@debian.org>  Mon, 06 Feb 2023 20:01:01 +0100

pymatgen (2022.11.7+dfsg1-2) unstable; urgency=medium

  * add debian patches
    - numpy_1.24.patch replaces deprecated (dropped) numpy.int with int
      and np.complex with complex
    - no_mp_api.patch uses MPResterLegacy if mp_api is not available
    - test_piezo_4538090.patch applies upstream commit 4538090
    - test_piezo_sensitivity_99b5cd7.patch applies upstream commit
      99b5cd7 to fix test_piezo_sensitivity
    - openbabel_OBAlign.patch fixes path to openbabel
    - test_lammps_sorted.patch fixes api accessing properties of
      lammps data objects
    - skip_nonfree_testfile.patch skips test_CifParserSpringerPauling,
      since non-free PF*.cif test files are not available
    - fix_phonon_bandstructures_7ba41e0.patch applies upstream commit
      7ba41e0 to fix handling of data structures in phonon
      bandstructures
  * pymatgen-test-files is now available, activate build-time and
    run-time tests
  * io/qchem is partly broken, skip failing tests:
    - input: test_from_multi_jobs_file test_from_string
      test_read_molecule test_read_nbo test_read_negative
      test_read_plots test_read_write_nbo7
    - output: test_all test_custom_smd_write
    - test_sets.py (all)
  * skip io tests that fail in chroot:
    test_CifWriter test_read_write test_init test_get_site_symmetries
  * Standards-Version: 4.6.2
  * use dh-sequences for python3 and sphinxdoc and the make doc build
    conditional (arch-indep build only)

 -- Drew Parsons <dparsons@debian.org>  Mon, 06 Feb 2023 01:22:16 +0100

pymatgen (2022.11.7+dfsg1-1) unstable; urgency=medium

  * New upstream release.
    - applies/deprecates debian patches test_h5py_byte_string.patch
      and test_no_internet.patch
    - Build-Depends: cython3, python3-spglib (>= 2.0.2~)
    - Build-Depends: pybuild-plugin-pyproject to use pyproject.toml
    - supports python 3.11 (Closes: #1024075)
  * drop debian patch skip_tests.patch (tests now fixed)
  * mark python-pymatgen-doc as Multi-Arch: foreign
  * Standards-Version: 4.6.1

 -- Drew Parsons <dparsons@debian.org>  Sat, 26 Nov 2022 00:25:13 +0100

pymatgen (2022.0.17+dfsg1-1) unstable; urgency=medium

  * New upstream release
    - fixes BSPlotterProjectedTest tests. Closes: #1000419.
  * exclude test_files in debian/copyright
    (they are now included in the new pymatgen-test-files package)
    - drop debian patch run_test_local_path.patch
  * skip tests until the pymatgen-test-file package becomes available
  * debian patch docs_mathjax_local.patch configures docs to use local
    mathjax (see Bug#989649)
  * debian/copyright: list detailed authors for
    docs_rst/_static/team-map.html (a blend of functions from different
    projects, all MIT licensed)

 -- Drew Parsons <dparsons@debian.org>  Tue, 14 Dec 2021 18:28:48 +0100

pymatgen (2022.0.16+dfsg1-1) unstable; urgency=medium

  * New upstream release.
  * Build-Depends: python3-phonopy. Closes: 1000432.
  * update debian patch skip_tests.patch to skip
    BSPlotterProjectedTest in electronic_structure test_plotter.py
    (incompatible with matplotlib 3.5). See Bug#1000419.

 -- Drew Parsons <dparsons@debian.org>  Wed, 24 Nov 2021 15:02:21 +0100

pymatgen (2022.0.14+dfsg1-1) unstable; urgency=medium

  * New upstream release.
    - applies debian patches install_data_files.patch and
      use_TEST_FILES_DIR.patch
  * update versioned Build-Depends: python3-numpy (>= 1.20.1~),
      python3-monty (>= 3.0.2~),
      python3-matplotlib (>= 1.5~),
      python3-palettable (>= 3.1.1~),
      python3-spglib (>= 1.9.9.44~),
      python3-networkx (>= 2.2~),
      python3-plotly (>= 4.5.0~),
      python3-ase (>= 3.3~)
  * debian/rules: remove deprecated replacement of mathjax url
  * only build docs in arch-independent build
  * Build-Depends: python3-openbabel (optional supported package)
    python3-pymatgen Recommends: python3-openbabel

 -- Drew Parsons <dparsons@debian.org>  Thu, 14 Oct 2021 01:15:42 +0200

pymatgen (2022.0.11+dfsg1-1) unstable; urgency=medium

  * New upstream release.
    - applies debian patches drop_feff_input_generation_f67cf7a.patch,
      skip_phonopy_tests.patch, test_filename_MoS.patch
    - docs no longer use badge-analysis.svg, badge-main.svg
    - docs use official ORCID-iD 32x32 logo (orcid.svg),
      licensed under Creative Commons CC0 1.0 Universal licence
  * Standards-Version: 4.6.0
  * use triple-slash for mathjax reference in docs
  * run build-time tests using pytest-3, with PMG_TEST_FILES_DIR
    pointing at toplevel test_files
  * update debian patch test_no_internet.patch to catch Exceptions
    (ConnectionError) if internet is not available
  * add debian patches
    - use_TEST_FILES_DIR.patch fixes tests to use TEST_FILES_DIR
    - install_data_files.patch installs missing data files
      (analysis/solar/am1.5G.dat, io/lammps/templates/md.txt)
    - skip_tests.patch skips tests (or code) that inappropriately
      triggers failures
  * image files in debian/images have been created by Drew Parsons
    using inkscape to serve in place of github image files for the
    purpose of preserving privacy in locally installed documentation
    Licenced under the MIT licence used for the rest of the debian dir
    (and the pymatgen project)
  * add debian/tests (autopkgtest)
  * run tests strictly with pytest-3. "python3.9 -m pytest" fails.
  * update debian patch test_no_internet.patch to test connection to
    aiida.materialscloud.org in test_optimade.py

 -- Drew Parsons <dparsons@debian.org>  Mon, 23 Aug 2021 09:59:25 +0200

pymatgen (2020.12.18+dfsg2-1) unstable; urgency=medium

  * Initial release (Closes: #962268)
  * copy test input files for running tests
  * add debian patches:
    - test_filename_MoS.patch identifies test file as
      MoS2_single.pdf not MOS2_single.pdf
    - skip_failing_WulffShapeTest.patch skips test_get_plotly to avoid
      index error in WulffShapeTest (test_wulff.py), see
      https://github.com/materialsproject/pymatgen/issues/2023
    - test_no_internet.patch skips tests requiring an internet
      connection (forbidden by Debian policy for privacy reasons)
    - skip_phonopy_tests.patch skips TestPhonopyFromForceConstants if
      phonopy is not present
    - test_h5py_byte_string.patch treats h5py string data as byte
      arrays (for h5py v3)
    - docs_no_local_python.patch removes local source dirs from python
      system path when building docs
    - drop_feff_input_generation_f67cf7a.patch applies upstream commit
      f67cf7a to drop the feff_input_generation executable script
    - run_test_local_path.patch accesses Vasp test file using full path
      to enable the test to be launched from other directories
    - test_lammps_regex_path.patch escapes '+' in path used to find
      lammps test files (e.g. with DFSG version "+dfsg2" in path)
  * man pages generated using help2man
  * remote image files used in docs have been predownloaded into
    debian/images and installed in html/_images to avoid privacy
    breaches in online documentation.

 -- Drew Parsons <dparsons@debian.org>  Tue, 29 Dec 2020 21:17:19 +1100
