Electrostatics / apbs-aws

APBS in an AWS environment
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Update PDB2PQR version to v3.6.1 #177

Closed Eo300 closed 1 year ago

Eo300 commented 1 year ago

Resolves #176

NOTE: Leaving PR in Draft mode until the new PDB2PQR version v3.6.0 is available via PyPI. Testing this change in dev server currently pulls v3.5.2

UPDATE: Version v3.6.1 has been released and is available via PyPI. This branch has been updated accordingly

codecov[bot] commented 1 year ago

Codecov Report

Patch and project coverage have no change.

Comparison is base (9cb9379) 72.77% compared to head (f4f39ae) 72.77%.

:exclamation: Current head f4f39ae differs from pull request most recent head b721c9b. Consider uploading reports for the commit b721c9b to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #177 +/- ## ======================================= Coverage 72.77% 72.77% ======================================= Files 9 9 Lines 753 753 ======================================= Hits 548 548 Misses 205 205 ``` 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=Electrostatics). 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=Electrostatics)

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sobolevnrm commented 1 year ago

PDB2PQR 3.6.0 is available on PyPI now. Sorry about the delay and thanks for the reminder!

sobolevnrm commented 1 year ago

I'm going to need to release PDB2PQR 3.6.1 later today because of a problem with the documentation build. Sorry...

You can track the status of the update at https://github.com/Electrostatics/pdb2pqr/issues/349

sobolevnrm commented 1 year ago

3.6.1 has been released here: https://pypi.org/project/pdb2pqr/3.6.1/

Eo300 commented 1 year ago

Tested branch on the dev site and the software's operating as usual. I'll create the PR to merge to production ASAP