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switch to pytest --pyargs for prolif #71

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merged 3 commits into from
Sep 14, 2023
Merged

switch to pytest --pyargs for prolif #71

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swittch to pytest --pyargs
IAlibay Sep 14, 2023
a01fd19
Update metadata.yaml
IAlibay Sep 14, 2023
19030d7
Update metadata.yaml
IAlibay Sep 14, 2023
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3 changes: 2 additions & 1 deletion mdakits/prolif/metadata.yaml
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Expand Up @@ -17,13 +17,14 @@ documentation_type: UserGuide + API

## Optional entries
install:
- conda install -c conda-forge prolif
- mamba install -c conda-forge prolif
src_install:
- pip install rdkit
- pip install "prolif[dev] @ git+https://github.com/chemosim-lab/ProLIF@master"
python_requires: ">=3.8"
mdanalysis_requires: ">=2.2.0"
run_tests:
- mamba install ipython py3Dmol "matplotlib>=3.5"
- git clone latest
- pytest -v ./tests
test_dependencies:
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