diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index d4141172e..38a82f23a 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -155,7 +155,7 @@ jobs: PYTEST_ARGS+=" --runslow" #fi - python -m pytest --durations=20 $PYTEST_ARGS $COV + python -m pytest --durations=20 $PYTEST_ARGS $COV -k "test_freesolv_gbsa_energies" - name: Run code snippets in docs if: ${{ matrix.rdkit == true && matrix.openeye == true }} diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index ecc2fa9b9..efca4a510 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -12,7 +12,7 @@ dependencies: - cached-property - xmltodict - python-constraint - - openmm >=7.6 + - openmm =8.1 - openff-forcefields >=2023.05.1 - smirnoff99Frosst - openff-units =0.2.0