Merge pull request #1009 from openforcefield/fix-openeye

Do not install broken OpenEye Toolkits package
openforcefield · Jul 15, 2024 · 88e57e7 · 88e57e7
2 parents 65f36d5 + 8b23250
commit 88e57e7
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diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml
@@ -62,7 +62,7 @@ jobs:
     - name: Install and license OpenEye Toolkits
       if: ${{ matrix.openeye == true }}
       run: |
-        micromamba install "openeye-toolkits >=2023.2" -c openeye
+        micromamba install "openeye-toolkits =2024.1.0" -c openeye
         echo "${SECRET_OE_LICENSE}" > ${OE_LICENSE}
         python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()"
       env:

diff --git a/devtools/conda-envs/examples_env.yaml b/devtools/conda-envs/examples_env.yaml
@@ -24,7 +24,7 @@ dependencies:
   - mdtraj
   - pdbfixer
   - nglview
-  - openeye-toolkits >=2023.2
+  - openeye-toolkits =2024.1.0
   - pytest =8.0
   - pytest-xdist
   - nbval