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
