move openeye install

openforcefield · Feb 12, 2024 · caf089b · caf089b
1 parent 4485176
commit caf089b
Showing 3 changed files with 5 additions and 2 deletions.
diff --git a/.github/actions/include-openeye/action.yaml b/.github/actions/include-openeye/action.yaml
@@ -16,6 +16,11 @@ inputs:
 runs:
   using: "composite"
   steps:
+    - name: Install OpenEye
+      shell: ${{ inputs.shell }}
+      run: |
+        mamba install -y -c openeye openeye-toolkits
+        
     - name: Make oe_license.txt file from GH org secret "OE_LICENSE"
       shell: ${{ inputs.shell }}
       run: |

diff --git a/devtools/conda-envs/test_env_dgl_false.yaml b/devtools/conda-envs/test_env_dgl_false.yaml
@@ -20,7 +20,6 @@ dependencies:
   - openff-units
   - pydantic <3
   - rdkit
-  - openeye-toolkits
   - scipy
 
   # database

diff --git a/devtools/conda-envs/test_env_dgl_true.yaml b/devtools/conda-envs/test_env_dgl_true.yaml
@@ -21,7 +21,6 @@ dependencies:
   - openff-units
   - pydantic <3
   - rdkit
-  - openeye-toolkits
   - scipy
 
   # database