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skip failing TestPackmolSet.test_random_seed due to openbabel not ins…
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…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).
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janosh committed Jul 31, 2023
1 parent b8a0f63 commit 2013d15
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1 change: 1 addition & 0 deletions pymatgen/io/tests/test_packmol.py
Original file line number Diff line number Diff line change
Expand Up @@ -185,6 +185,7 @@ def test_random_seed(self):
Confirm that seed = -1 generates random structures
while seed = 1 is deterministic
"""
pytest.importorskip("openbabel")
mm = MoleculeMatcher()

# deterministic output
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