Ad MAICoS as an MDAKit #84
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@hejamu - I think you have to submit from a branch, sorry I didn't even know this was a thing. |
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@IAlibay my branch was just out-of-date :) |
IAlibay
reviewed
Sep 28, 2023
mdakits/maicos/metadata.yaml
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| python_requires: ">=3.9" | ||
| mdanalysis_requires: ">=2.5.0" | ||
| run_tests: | ||
| - pytest tests |
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are your tests installed under a package named tests? 👀
IAlibay
reviewed
Sep 28, 2023
IAlibay
requested changes
Sep 28, 2023
Co-authored-by: Irfan Alibay <[email protected]>
IAlibay
approved these changes
Sep 28, 2023
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MAICoS analyses molecular dynamics simulations of interfacial and confined systems using MDAnalysis methods and the AnalysisBase class.