diff --git a/mdakits/prolif/metadata.yaml b/mdakits/prolif/metadata.yaml index 03cad4e9..9ad180bf 100644 --- a/mdakits/prolif/metadata.yaml +++ b/mdakits/prolif/metadata.yaml @@ -4,8 +4,7 @@ authors: - Cédric Bouysset maintainers: - cbouy -description: - Interaction Fingerprints for protein-ligand complexes and more +description: Interaction Fingerprints for protein-ligand complexes and more keywords: - drug-design - cheminformatics @@ -20,17 +19,18 @@ install: - 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" + - pip install git+https://github.com/chemosim-lab/ProLIF@master +python_requires: ">=3.10" mdanalysis_requires: ">=2.2.0" run_tests: - - mamba install ipython py3Dmol "matplotlib>=3.5" - git clone latest - pytest -v ./tests test_dependencies: - - mamba install pytest + - mamba install pytest ipython py3Dmol "matplotlib>=3.5" project_org: chemosim-lab development_status: Production/Stable publications: - https://doi.org/10.1186/s13321-021-00548-6 - https://zenodo.org/record/7332369 +community_home: https://github.com/chemosim-lab/ProLIF/discussions +changelog: https://github.com/chemosim-lab/ProLIF/blob/master/CHANGELOG.md