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try installing cmake in conda env (based on local debugging)
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j-wags authored Jul 31, 2024
1 parent 570d147 commit 8429510
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2 changes: 1 addition & 1 deletion .github/workflows/ci.yml
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Expand Up @@ -113,7 +113,7 @@ jobs:
- name: Run tests
run: |
pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml -k "not TestEvaluatorBromineStudy" src/tests/
pytest -vx --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml -k "not TestEvaluatorBromineStudy" src/tests/
- name: Run water study
run: |
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1 change: 1 addition & 0 deletions devtools/conda-envs/test_env.yaml
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Expand Up @@ -23,6 +23,7 @@ dependencies:
- ambertools
- ndcctools
- geometric
- cmake
# - gromacs =2019.1
- openff-toolkit >=0.11.3
- openff-evaluator-base >= 0.4.1
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