Merge pull request #123 from openforcefield/fix-dev-ci

Fix remaining problems in CI
openforcefield · Jul 19, 2024 · b2bc55b · b2bc55b
2 parents 3d251ed + 5e1e22b
commit b2bc55b
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Showing 8 changed files with 8 additions and 8 deletions.
diff --git a/.github/workflows/examples-ci.yaml b/.github/workflows/examples-ci.yaml
@@ -68,7 +68,7 @@ jobs:
 
     - name: Uninstall OpenEye
       if: matrix.include-openeye == false
-      run: conda remove --force openeye --yes || echo "openeye not installed"
+      run: conda remove --force openeye-toolkits --yes || echo "openeye not installed"
 
     - name: Uninstall RDKit
       if: matrix.include-rdkit == false

diff --git a/.github/workflows/gh-ci.yaml b/.github/workflows/gh-ci.yaml
@@ -80,7 +80,7 @@ jobs:
 
     - name: Uninstall OpenEye
       if: matrix.include-openeye == false
-      run: conda remove --force openeye --yes || echo "openeye not installed"
+      run: conda remove --force openeye-toolkits --yes || echo "openeye not installed"
 
     - name: Uninstall RDKit
       if: matrix.include-rdkit == false

diff --git a/devtools/conda-envs/docs_env.yaml b/devtools/conda-envs/docs_env.yaml
@@ -18,7 +18,7 @@ dependencies:
   - openff-toolkit-base >=0.11.1
   - openff-units
   - pydantic <2.0
-  - rdkit
+  - rdkit !=2024.03.4
   - openeye-toolkits
 
   # database

diff --git a/devtools/conda-envs/examples_env.yaml b/devtools/conda-envs/examples_env.yaml
@@ -23,7 +23,7 @@ dependencies:
   - openff-units
   - openff-recharge
   - pydantic <3
-  - rdkit
+  - rdkit !=2024.03.4
 
   # database
   - pyarrow

diff --git a/devtools/conda-envs/nightly.yaml b/devtools/conda-envs/nightly.yaml
@@ -16,7 +16,7 @@ dependencies:
 
   # chemistry
   - pydantic <3
-  - rdkit
+  - rdkit !=2024.03.4
   - scipy
 
   # database

diff --git a/devtools/conda-envs/test_cuda_env.yaml b/devtools/conda-envs/test_cuda_env.yaml
@@ -22,7 +22,7 @@ dependencies:
   - openff-toolkit-base >=0.11.1
   - openff-units
   - pydantic <3
-  - rdkit
+  - rdkit !=2024.03.4
   - openeye-toolkits
 
   # database

diff --git a/devtools/conda-envs/test_env_dgl_false.yaml b/devtools/conda-envs/test_env_dgl_false.yaml
@@ -18,7 +18,7 @@ dependencies:
   - openff-toolkit-base >=0.11.1
   - openff-units
   - pydantic <3
-  - rdkit
+  - rdkit !=2024.03.4
   - scipy
   - ambertools
 

diff --git a/devtools/conda-envs/test_env_dgl_true.yaml b/devtools/conda-envs/test_env_dgl_true.yaml
@@ -19,7 +19,7 @@ dependencies:
   - openff-toolkit-base >=0.11.1
   - openff-units
   - pydantic <3
-  - rdkit
+  - rdkit !=2024.03.4
   - scipy
   - ambertools