OpenFreeEnergy / OpenFreeEnergy/openfe
Tests in test_openmm_equil_rfe_protocols.py fail with pytest=7.4.0
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Description
I created a new conda env from the environment.yml file and got mulitple errors in the test_openmm_equil_rfe_protocols.py, e.g.
file /Users/hannahbaumann/openfe/openfe/tests/protocols/test_openmm_equil_rfe_protocols.py, line 38
def test_append_topology(benzene_complex_system, toluene_complex_system):
file /Users/hannahbaumann/openfe/openfe/tests/protocols/conftest.py, line 29
@pytest.fixture
def benzene_complex_system(benzene_modifications, T4_protein_component):
E fixture 'benzene_modifications' not found
Downgrading pytest to 7.3.1 seems to fix the issue.
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Research direction
Start by reproducing the failure with pytest 7.4.0 using openfe/tests/protocols/test_openmm_equil_rfe_protocols.py and its fixtures in openfe/tests/protocols/conftest.py. Compare the fixture behavior with pytest 7.3.1 and inspect the eight existing comments for context; done means the affected tests pass under the environment.yml pytest version without downgrading.
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Assessment
- Tech stack
- python
- Domain
- testing-qa
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100