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Adding waterdynamics #91

Merged
merged 3 commits into from
Oct 31, 2023
Merged

Adding waterdynamics #91

merged 3 commits into from
Oct 31, 2023

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ianmkenney
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Adding waterdynamics to the MDAKits registry. The waterdynamics package contains functions to analyze water dynamics and water interactions with other molecules in molecular dynamics trajectories.

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@IAlibay IAlibay left a comment

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Just the one thing from me, otherwise lgtm

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

maintainers:
- 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

@ianmkenney
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@alejob, we're porting the waterdynamics module to an MDAKit where the code is now hosted in a separate repository (https://github.com/MDAnalysis/waterdynamics). Since you are an original author of this code, are you interested in being listed as a maintainer? This means you'll be notified when the package breaks for any reason in the MDAKits pipeline and will have the necessary powers to correct any issues within the waterdynamics code.

@orbeckst
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This is one of the CZI EOSS4 milestones. I am going to merge right now. We can always add Maintainers as an update — @alejob we'd love to have you as a maintainer!

@orbeckst orbeckst merged commit b5d3ed7 into MDAnalysis:main Oct 31, 2023
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4 participants