pin openmmforcefields and manuall pip install openff-toolkit in CI

Author: kntkb

.github/workflows/CI.yaml

@@ -49,6 +49,8 @@ jobs:
         # conda setup requires this special shell
         shell: bash -l {0}
         run: |
+          micromamba uninstall --force openff-toolkit
+          pip install git+https://github.com/kntkb/openff-toolkit.git@7e9d0225782ef723083407a1cbf1f4f70631f934
           python -m pip install . --no-deps
           micromamba list
 

devtools/conda-envs/test_env.yaml

@@ -9,7 +9,9 @@ dependencies:
   - certifi
   - openssl
   - pytest
+  - pytest-cov
   - openeye-toolkits
   - openmmtools
   - barnaba
+  - openmmforcefields=0.12
 prefix: /lila/home/takabak/mambaforge/envs/espfit