diff --git a/mdakits/pathsimanalysis/metadata.yaml b/mdakits/pathsimanalysis/metadata.yaml new file mode 100644 index 00000000..9d7324bd --- /dev/null +++ b/mdakits/pathsimanalysis/metadata.yaml @@ -0,0 +1,44 @@ +project_name: PathSimAnalysis + +authors: + - https://github.com/MDAnalysis/PathSimAnalysis/blob/main/AUTHORS.md + +maintainers: + - ianmkenney + +description: + An MDAKit that calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff or Fréchet distances. + +keywords: + - similarity + - paths + - metrics + +license: GPL-2.0-or-later +project_home: https://github.com/MDAnalysis/PathSimAnalysis/ +documentation_home: https://mdanalysis.org/PathSimAnalysis +documentation_type: API + +install: + - pip install pathsimanalysis + +src_install: + - pip install git+https://github.com/MDAnalysis/PathSimAnalysis@main + +import_name: pathsimanalysis +python_requires: ">=3.9" +mdanalysis_requires: ">=2.0.0" + +run_tests: + - pytest --pyargs pathsimanalysis + +test_dependencies: + - mamba install pytest MDAnalysisTests + +project_org: MDAnalysis +development_status: Production/Stable + +publications: + - https://doi.org/10.1371/journal.pcbi.1004568 + +changelog: https://github.com/MDAnalysis/PathSimAnalysis/blob/main/CHANGELOG.md