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jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
http://propka.org
GNU Lesser General Public License v2.1
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Add a changelog file #115

Closed speleo3 closed 3 years ago

speleo3 commented 3 years ago

Adding a Changelog to the sphinx documentation. The goal is to satisfy semantic versioning requirements. @orbeckst @sobolevnrm What do you think?

codecov[bot] commented 3 years ago

Codecov Report

Merging #115 (bd433f2) into master (3937cb1) will not change coverage. The diff coverage is n/a.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #115   +/-   ##
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  Coverage   73.09%   73.09%           
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  Files          24       24           
  Lines        3958     3958           
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  Hits         2893     2893           
  Misses       1065     1065

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sobolevnrm commented 3 years ago

Thank you for starting it.

I would suggest to retroactively add entries for the original PROPKA 3.1 and then the re-release, with some notes on what happened (can be taken from the docs/twitter post), although this could be done in a separate PR (maybe by @sobolevnrm ?)

Yes; will do.