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Add transport-analysis as MDAKit #89

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merged 2 commits into from
Oct 8, 2023

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hmacdope
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@hmacdope hmacdope commented Oct 8, 2023

Add transport-analysis as MDAKit, a tool for analysing transport properties including diffusion coefficents.

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hmacdope commented Oct 8, 2023

@MDAnalysis/mdakits-reviewers, ready for review.

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IAlibay commented Oct 8, 2023

I'm not going to block over it since everything else is fine, but a release would be significantly better in terms of a) not having to come back and fix this registry entry later, b) making sure users can access the code properly.

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hmacdope commented Oct 8, 2023

@IAlibay done, 0.1.0 initial release made.

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IAlibay commented Oct 8, 2023

Can we switch the install to a pypi one?

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hmacdope commented Oct 8, 2023

@IAlibay should be good now.

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cheers!

@IAlibay IAlibay merged commit 1b20074 into MDAnalysis:main Oct 8, 2023
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2 participants