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Add transport-analysis as MDAKit #89

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merged 2 commits into from
Oct 8, 2023
Merged

Add transport-analysis as MDAKit #89

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first metadata.yaml
hmacdope Oct 8, 2023
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move to pypi install
hmacdope Oct 8, 2023
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34 changes: 34 additions & 0 deletions mdakits/transport-analysis/metadata.yaml
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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:
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- pip install git+https://github.com/MDAnalysis/transport-analysis@main
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
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