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Adding waterdynamics #91

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merged 3 commits into from
Oct 31, 2023
Merged

Adding waterdynamics #91

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bbc0b3d
Added metadata for waterdynamics
ianmkenney Oct 26, 2023
f1265b7
Added IAlibay as maintainer
ianmkenney Oct 26, 2023
7dc3dd4
Added lilyminium as a maintainer
ianmkenney Oct 30, 2023
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42 changes: 42 additions & 0 deletions mdakits/waterdynamics/metadata.yaml
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project_name: waterdynamics

authors:
- https://github.com/MDAnalysis/waterdynamics/blob/main/AUTHORS.md

maintainers:
- IAlibay
- ianmkenney
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Do you want to list more folks here? (given current timelines)

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Yes, I was going to ask. Any candidates in mind?

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I'm unofficially a maintainer for everything that's MDA based in the registry because I get a ping & have to check it's not the registry breaking. You can put me here anyways but please ask on discord for extra volunteers please.

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I can help maintain this too at least in its current state

- lilyminium

description:
Analysis of water dynamics in molecular dynamics trajectories and water interactions with other molecules.

keywords:
- water
- hydrogenbonds
- MSD

license: GPL-2.0-or-later
project_home: https://github.com/MDAnalysis/waterdynamics/
documentation_home: https://mdanalysis.org/waterdynamics
documentation_type: API

install:
- pip install waterdynamics

src_install:
- pip install git+https://github.com/MDAnalysis/waterdynamics@main

import_name: waterdynamics
python_requires: ">=3.9"
mdanalysis_requires: ">=2.0.0"

run_tests:
- pytest --pyargs waterdynamics

test_dependencies:
- mamba install pytest MDAnalysisTests

project_org: MDAnalysis
development_status: Production/Stable
changelog: https://github.com/MDAnalysis/waterdynamics/blob/main/CHANGELOG.md
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