Clean up debug code

openforcefield · Nov 15, 2022 · 19c090a · 19c090a
1 parent fc9a9d9
commit 19c090a
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Showing 4 changed files with 5 additions and 5 deletions.
diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
@@ -81,7 +81,7 @@ jobs:
       - name: Run Tests
         shell: bash -l {0}
         run: |
-          pytest -v --cov=openff --cov-config=setup.cfg openff/bespokefit/tests/executor/services/coordinator/test_app.py::test_get_optimization --cov-report=xml
+          pytest -v --cov=openff --cov-config=setup.cfg openff/bespokefit/tests/ --cov-report=xml
 
       - name: Codecov
         uses: codecov/codecov-action@v3.1.1

diff --git a/devtools/conda-envs/docs-env.yaml b/devtools/conda-envs/docs-env.yaml
@@ -18,7 +18,7 @@ dependencies:
   - click-option-group
   - rdkit
   - openff-utilities
-  - openff-toolkit-base >=0.10.6
+  - openff-toolkit-base =0.10.6
   - openff-forcefields
   - openff-qcsubmit
   - openmm >=7.6.0
@@ -35,7 +35,7 @@ dependencies:
   - qcelemental >=0.24.0
   - qcengine >=0.21.0
   - chemper
-  - geometric <1
+  - geometric
   - torsiondrive
   - pymbar <4
 

diff --git a/devtools/conda-envs/no_openeye.yaml b/devtools/conda-envs/no_openeye.yaml
@@ -37,7 +37,7 @@ dependencies:
   - qcelemental >=0.24.0
   - qcengine >=0.23.0
   - chemper
-  - geometric <1
+  - geometric
   - torsiondrive
   - pymbar <4
 

diff --git a/devtools/conda-envs/test-env.yaml b/devtools/conda-envs/test-env.yaml
@@ -39,7 +39,7 @@ dependencies:
   - qcelemental >=0.24.0
   - qcengine >=0.23.0
   - chemper
-  - geometric <1
+  - geometric
   - torsiondrive
   - pymbar <4