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Add transport-analysis as MDAKit (#89)
* first metadata.yaml * move to pypi install
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## Required entries | ||
project_name: transport-analysis | ||
authors: | ||
- https://github.com/MDAnalysis/transport-analysis/blob/main/AUTHORS.md | ||
maintainers: | ||
- xhgchen | ||
- hmacdope | ||
- orionarcher | ||
description: | ||
A Python package to compute and analyze transport properties from molecular simulations. | ||
keywords: | ||
- transport properties | ||
- molecular dynamics | ||
license: GPL-2.0 | ||
project_home: https://github.com/MDAnalysis/transport-analysis | ||
documentation_home: https://transport-analysis.readthedocs.io | ||
documentation_type: UserGuide + API | ||
|
||
# Optional entries | ||
install: | ||
- pip install transport-analysis | ||
src_install: | ||
- pip install git+https://github.com/MDAnalysis/transport-analysis@main | ||
import_name: transport_analysis | ||
python_requires: ">=3.9" | ||
mdanalysis_requires: ">=2.0.0" | ||
run_tests: | ||
- pytest --pyargs transport_analysis.tests | ||
test_dependencies: | ||
- mamba install pytest MDAnalysisTests | ||
project_org: MDAnalysis | ||
development_status: Alpha | ||
community_home: https://github.com/MDAnalysis/transport-analysis/discussions | ||
changelog: https://github.com/MDAnalysis/transport-analysis/blob/main/CHANGELOG.md |