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Mark espaloma test as xfail for issue #1940 (#1941)

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Irfan Alibay
2026-04-16 17:59:57 +01:00
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parent c60db0685a
commit 0978b4dd07
1 changed files with 1 additions and 0 deletions
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src/openfe/tests/protocols/openmm_md/test_plain_md_protocol.py
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@@ -191,6 +191,7 @@ def test_dry_run_gaff_vacuum(benzene_vacuum_system, vac_settings, tmp_path):
dag_unit.run(dry=True, scratch_basepath=tmp_path, shared_basepath=tmp_path)["debug"]["system"]
@pytest.mark.xfail(reason="Issue #1940")
@pytest.mark.skipif(not HAS_ESPALOMA, reason="espaloma is not available")
def test_dry_run_espaloma_vacuum_user_charges(benzene_modifications, vac_settings, tmp_path):
vac_settings.forcefield_settings.small_molecule_forcefield = "espaloma-0.3.2"