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rdkit latest version is missing share folder on Windows
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stefdoerr committed Sep 11, 2024
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2 changes: 1 addition & 1 deletion .github/workflows/test_and_publish.yml
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Expand Up @@ -40,7 +40,7 @@ jobs:
- name: Install moleculekit conda deps. Force rdkit version for tests
run: |
mamba install -y -q --file extra_requirements.txt python=${{ matrix.python-version }} -c acellera -c conda-forge
mamba install -y rdkit=2024.03.5
mamba install -y rdkit=2024.03.4
# scikit-learn, joblib, biopython are only used for rarely-used functions in smallmol
mamba install -y -q scikit-learn joblib biopython -c conda-forge
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