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attempt 123531 at fixing GHA
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svandenhaute committed Oct 24, 2023
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4 changes: 3 additions & 1 deletion .github/workflows/run_pytest.yaml
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Expand Up @@ -39,5 +39,7 @@ jobs:
pip install git+https://github.com/mir-group/allegro --no-deps
pip install git+https://github.com/svandenhaute/openmm-ml.git@triclinic
pip install 'psiflow[test] @ git+https://github.com/molmod/psiflow.git'
pytest --skip-gpu --psiflow-config=.github/workflows/threadpool.py --basetemp=${{ runner.temp }}
cd ${{ runner.temp }} && git clone https://github.com/molmod/psiflow
cd psiflow
pytest --skip-gpu --psiflow-config=.github/workflows/threadpool.py
shell: micromamba-shell {0}

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