Your message dated Sat, 03 Aug 2024 15:08:38 +0000
with message-id <e1sagn4-009hnw...@fasolo.debian.org>
and subject line Bug#1069219: fixed in pymatgen 2024.6.10+dfsg1-1
has caused the Debian Bug report #1069219,
regarding pymatgen ftbfs with Python 3.12
to be marked as done.
This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
(NB: If you are a system administrator and have no idea what this
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misconfiguration somewhere. Please contact ow...@bugs.debian.org
immediately.)
--
1069219: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1069219
Debian Bug Tracking System
Contact ow...@bugs.debian.org with problems
--- Begin Message ---
Package: src:pymatgen
Version: 2024.1.27+dfsg1-7
Severity: important
Tags: sid trixie ftbfs
User: debian-pyt...@lists.debian.org
Usertags: python3.12
[...]
=================================== FAILURES
===================================
______________________ TestTransformedStructure.test_snl
_______________________
self = <tests.alchemy.test_materials.TestTransformedStructure
testMethod=test_snl>
def test_snl(self):
self.trans.set_parameter("author", "will")
with pytest.warns(UserWarning) as warns:
snl = self.trans.to_snl([("will", "w...@test.com")])
> assert len(warns) == 1, "Warning not raised on type conversion
with other_parameters"
E AssertionError: Warning not raised on type conversion with
other_parameters
E assert 2 == 1
E + where 2 = len(WarningsChecker(record=True))
/<<PKGBUILDDIR>>/.pybuild/test_python3.12/tests/alchemy/test_materials.py:107:
AssertionError
____________________ TestLobsterin.test_dict_functionality
_____________________
self = <tests.io.lobster.test_inputs.TestLobsterin
testMethod=test_dict_functionality>
def test_dict_functionality(self):
> assert self.Lobsterinfromfile.get("COHPstartEnergy") == -15.0
E AssertionError: assert None == -15.0
E + where None = <bound method UserDict.get of
{'cohpstartenergy': -15.0, 'cohpendenergy': 5.0, 'basisset':
'pbeVaspFit2015', 'gaussian...s'], 'skipdos': True, 'skipcohp': True,
'skipcoop': True, 'skippopulationanalysis': True, 'skipgrosspopulation':
True}>('COHPstartEnergy')
E + where <bound method UserDict.get of {'cohpstartenergy':
-15.0, 'cohpendenergy': 5.0, 'basisset': 'pbeVaspFit2015',
'gaussian...s'], 'skipdos': True, 'skipcohp': True, 'skipcoop': True,
'skippopulationanalysis': True, 'skipgrosspopulation': True}> =
{'cohpstartenergy': -15.0, 'cohpendenergy': 5.0, 'basisset':
'pbeVaspFit2015', 'gaussiansmearingwidth': 0.1, 'basisfun...4s'],
'skipdos': True, 'skipcohp': True, 'skipcoop': True,
'skippopulationanalysis': True, 'skipgrosspopulation': True}.get
E + where {'cohpstartenergy': -15.0, 'cohpendenergy': 5.0,
'basisset': 'pbeVaspFit2015', 'gaussiansmearingwidth': 0.1,
'basisfun...4s'], 'skipdos': True, 'skipcohp': True, 'skipcoop': True,
'skippopulationanalysis': True, 'skipgrosspopulation': True} =
<tests.io.lobster.test_inputs.TestLobsterin
testMethod=test_dict_functionality>.Lobsterinfromfile
.pybuild/test_python3.12/tests/io/lobster/test_inputs.py:1655:
AssertionError
______________________ TestVasprun.test_potcar_not_found
_______________________
self = <tests.io.vasp.test_outputs.TestVasprun
testMethod=test_potcar_not_found>
def test_potcar_not_found(self):
filepath = f"{TEST_FILES_DIR}/vasprun.xml"
# Ensure no potcar is found and nothing is updated
with pytest.warns(UserWarning, match="No POTCAR file with
matching TITEL fields was found in") as warns:
vasp_run = Vasprun(filepath, parse_potcar_file=".")
> assert len(warns) == 2
E assert 3 == 2
E + where 3 = len(WarningsChecker(record=True))
/<<PKGBUILDDIR>>/.pybuild/test_python3.12/tests/io/vasp/test_outputs.py:645:
AssertionError
_________________________ TestVasprun.test_unconverged
_________________________
self = <tests.io.vasp.test_outputs.TestVasprun testMethod=test_unconverged>
def test_unconverged(self):
filepath = f"{TEST_FILES_DIR}/vasprun.xml.unconverged"
with pytest.warns(UnconvergedVASPWarning,
match="vasprun.xml.unconverged is an unconverged VASP run") as warns:
vasprun_unconverged = Vasprun(filepath,
parse_potcar_file=False)
> assert len(warns) == 1
E assert 2 == 1
E + where 2 = len(WarningsChecker(record=True))
/<<PKGBUILDDIR>>/.pybuild/test_python3.12/tests/io/vasp/test_outputs.py:298:
AssertionError
--- End Message ---
--- Begin Message ---
Source: pymatgen
Source-Version: 2024.6.10+dfsg1-1
Done: Drew Parsons <dpars...@debian.org>
We believe that the bug you reported is fixed in the latest version of
pymatgen, which is due to be installed in the Debian FTP archive.
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to 1069...@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Drew Parsons <dpars...@debian.org> (supplier of updated pymatgen package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmas...@ftp-master.debian.org)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Sat, 03 Aug 2024 15:04:14 +0200
Source: pymatgen
Architecture: source
Version: 2024.6.10+dfsg1-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-de...@lists.alioth.debian.org>
Changed-By: Drew Parsons <dpars...@debian.org>
Closes: 1069219
Changes:
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
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Files:
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pymatgen_2024.6.10+dfsg1-1.dsc
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