From d66f5d8a8ebbf7f4060bb9c3452be282013a2887 Mon Sep 17 00:00:00 2001 From: Hugo MacDermott-Opeskin Date: Sun, 8 Oct 2023 17:28:25 +1100 Subject: [PATCH 1/2] first metadata.yaml --- mdakits/transport-analysis/metadata.yaml | 34 ++++++++++++++++++++++++ 1 file changed, 34 insertions(+) create mode 100644 mdakits/transport-analysis/metadata.yaml diff --git a/mdakits/transport-analysis/metadata.yaml b/mdakits/transport-analysis/metadata.yaml new file mode 100644 index 00000000..9142225a --- /dev/null +++ b/mdakits/transport-analysis/metadata.yaml @@ -0,0 +1,34 @@ +## 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 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 From a2f8e635d610622720eef29acae72f32991836b6 Mon Sep 17 00:00:00 2001 From: Hugo MacDermott-Opeskin Date: Sun, 8 Oct 2023 19:01:56 +1100 Subject: [PATCH 2/2] move to pypi install --- mdakits/transport-analysis/metadata.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mdakits/transport-analysis/metadata.yaml b/mdakits/transport-analysis/metadata.yaml index 9142225a..47acce47 100644 --- a/mdakits/transport-analysis/metadata.yaml +++ b/mdakits/transport-analysis/metadata.yaml @@ -18,7 +18,7 @@ documentation_type: UserGuide + API # Optional entries install: - - pip install git+https://github.com/MDAnalysis/transport-analysis@main + - pip install transport-analysis src_install: - pip install git+https://github.com/MDAnalysis/transport-analysis@main import_name: transport_analysis