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add lipidorderkit to mdanalysis #149

Merged
merged 13 commits into from
Jul 17, 2024
76 changes: 76 additions & 0 deletions mdakits/lipidorderkit/metadata.yaml
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project_name: lipidorderkit


authors:
- https://github.com/ricard1997/lipidorderkit/blob/main/AUTHORS.md


maintainers:
- ricard1997



description:
This MDAKit allow for the calculation of lipid order parameters for all atom molecular dynamics simulations.


keywords:
- Lipids
- Lipids order parameters
- SCD
- Lipid metrics
- Lipid study


license: GPL-2.0-or-later


project_home: https://github.com/ricard1997/lipidorderkit/


documentation_home: https://lipidorderdocs.readthedocs.io/en/latest/


documentation_type: API


install:
- pip install git+https://github.com/ricard1997/lipidorderkit@main


src_install:
- git clone https://github.com/ricard1997/lipidorderkit.git
- cd lipidorderkit && pip install . && cd ..

import_name: lipidorder


python_requires: ">=3.10"


mdanalysis_requires: ">=2.0.0"


run_tests:
- pytest --pyargs lipidorder


test_dependencies:
- mamba install pytest MDAnalysisTests


project_org: ricard1997


development_status: Production/Stable


publications:
- https://doi.org/10.3389/fchem.2022.1088058



community_home:


changelog: https://github.com/ricard1997/lipidorderkit/blob/main/CHANGELOG.md
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