make openmmforcefields to work with python-3.11

choderalab · Feb 12, 2024 · 0e3e4fc · 0e3e4fc
1 parent d45e812
commit 0e3e4fc
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diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
@@ -51,6 +51,8 @@ jobs:
         run: |
           micromamba remove --force openff-toolkit openff-toolkit-base
           pip install git+https://github.com/kntkb/openff-toolkit.git@7e9d0225782ef723083407a1cbf1f4f70631f934
+          micromamba remove --force openmmforcefields
+          pip install git+https://github.com/openmm/[email protected]
           python -m pip install . --no-deps
           micromamba list
 

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -14,5 +14,4 @@ dependencies:
   - openeye-toolkits
   - openmmtools
   - barnaba
-  - openmmforcefields=0.12
 prefix: /lila/home/takabak/mambaforge/envs/espfit