move openeye install

openforcefield · Feb 12, 2024 · caf089b · caf089b
1 parent 4485176
commit caf089b
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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