OpenFreeEnergy / openfe

The Open Free Energy toolkit
https://docs.openfree.energy
MIT License
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Update zenodo CITATION.cff #846

Open IAlibay opened 2 months ago

IAlibay commented 2 months ago

Fixes #874

Checklist

Developers certificate of origin

IAlibay commented 2 months ago

@mikemhenry I think you set this up initially, can you have a look if this makes sense?

codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 91.32%. Comparing base (70379d7) to head (7e02093).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #846 +/- ## ========================================== - Coverage 94.13% 91.32% -2.82% ========================================== Files 134 134 Lines 9786 9786 ========================================== - Hits 9212 8937 -275 - Misses 574 849 +275 ``` | [Flag](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/846/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | Coverage Δ | | |---|---|---| | [fast-tests](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/846/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | `91.32% <ø> (?)` | | | [slow-tests](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/846/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | `?` | | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#carryforward-flags-in-the-pull-request-comment) to find out more.

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mikemhenry commented 1 month ago

will get this merged in once CI is working