Unskip and fix packmol tests
#3195
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….tmp_path auto-used fixture
…talled
pymatgen/io/tests/test_packmol.py:188:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
args = (<pymatgen.analysis.molecule_matcher.MoleculeMatcher object at 0x2aecc7bd0>,)
kwargs = {}
@functools.wraps(_callable)
def decorated(*args, **kwargs):
if not self.condition:
> raise RuntimeError(self.message)
E RuntimeError: BabelMolAdaptor requires openbabel to be installed with Python bindings. Please get it at http://openbabel.org (version >=3.0.0).
was set to always skip
janosh
added
tests
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60ff0cb don't use tempfile.TemporaryDirectory() in tests, prefer PymatgenTest.tmp_path auto-used fixture
b8a0f63 fix broken test_files paths in TestPackmolSet
2013d15 skip failing TestPackmolSet.test_random_seed due to openbabel not installed
b3c6150 only skip pymatgen/io/tests/test_packmol.py if packmol not installed