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
256 stars 58 forks source link

Update Python support. #156

Closed sobolevnrm closed 1 year ago

sobolevnrm commented 1 year ago

Remove 3.6 and change Change Log.

Fixes #154

codecov[bot] commented 1 year ago

Codecov Report

Base: 73.05% // Head: 73.08% // Increases project coverage by +0.02% :tada:

Coverage data is based on head (72c4950) compared to base (01bf46c). Patch has no changes to coverable lines.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #156 +/- ## ========================================== + Coverage 73.05% 73.08% +0.02% ========================================== Files 24 25 +1 Lines 3968 3972 +4 ========================================== + Hits 2899 2903 +4 Misses 1069 1069 ``` | [Impacted Files](https://codecov.io/gh/jensengroup/propka/pull/156?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=jensengroup) | Coverage Δ | | |---|---|---| | [propka/\_\_init\_\_.py](https://codecov.io/gh/jensengroup/propka/pull/156?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=jensengroup#diff-cHJvcGthL19faW5pdF9fLnB5) | `100.00% <0.00%> (ø)` | | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=jensengroup). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=jensengroup)

:umbrella: View full report at Codecov.
:loudspeaker: Do you have feedback about the report comment? Let us know in this issue.

sobolevnrm commented 1 year ago

@speleo3 and @IAlibay do you want to review this before I merge? It's a pretty simple change.

sobolevnrm commented 1 year ago

Sorry it's a Sunday evening and I'm not thinking things through - setup.py needs to be updated accordingly.

Thanks; see 74b84252340d27592f68b82e5a1793be311d19b2.

sobolevnrm commented 1 year ago

Thanks!