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CI conda
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JMorado committed Nov 13, 2022
1 parent 1bcbee4 commit 61a6c69
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions .github/workflows/paramol_ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -28,7 +28,7 @@ jobs:
auto-update-conda: true
auto-activate-base: false
python-version: ${{ matrix.python-version }}
#environment-file: .github/workflows/paramol_env.yml
environment-file: .github/workflows/paramol_env.yml
- shell: bash -l {0}
run: |
conda info
Expand All @@ -42,7 +42,6 @@ jobs:
- name: Run pytest
shell: bash -l {0}
run: |
conda install paramol -c jmorado -c ambermd -c conda-forge -c omnia -c rdkit -c anaconda
conda install pytest
pytest
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