-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Mon, 06 Feb 2023 01:22:16 +0100
Source: pymatgen
Architecture: source
Version: 2022.11.7+dfsg1-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Drew Parsons <dparsons@debian.org>
Changes:
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)
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