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Add necessary commits for 2.4.3 #4102

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merged 3 commits into from
Mar 29, 2023
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@IAlibay IAlibay commented Mar 29, 2023

Cherry picked commits for 2.4.3:

  • Fixes DCD seeking for large (2Gb+) files.

Commits to prepare for 2.4.3:

  • Update version numbers

richardjgowers and others added 2 commits March 29, 2023 17:39
Fixes #4039
* Fixes DCD seeking for large (2Gb+) files.
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IAlibay commented Mar 29, 2023

cirrus failure is expected - I don't see a need to cherry pick the fix here (since we don't use it for release), unless folks think otherwise

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IAlibay commented Mar 29, 2023

I guess we'll need to cherry pick the parmed fix here.

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IAlibay commented Mar 29, 2023

:/ this is a bit of a difficult one, if we cherry-pick the parmed fix, do we then change the changelog on develop to reflect that it went in on 2.4.3? Or do we just do it here and leave it as-is?

The alternative option is to pin the upper value of Parmed in tests & conda-forge?

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IAlibay commented Mar 29, 2023

Note - it's a fix on a failing test, but it didn't require any change to the Parmed parser codes.

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IAlibay commented Mar 29, 2023

Pinging @MDAnalysis/coredevs it'd be good to get a quick decision on the path forward here.

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if the parmed fix is possible via a conda-forge pin it might make sense to do 2.4.3 that way?

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If the parmed fix thing does not require an increase in minor version then you can put it in here without problems (especially if it's just something in the tests).

As with anything else, we just need to retroactively change develop's CHANGELOG.

EDIT: and add yourself to the 2.4.3 authors list @IAlibay

package/CHANGELOG Outdated Show resolved Hide resolved
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IAlibay commented Mar 29, 2023

Ok, given we need to update the author list anyways, I'll just cherry-pick the parmed test fix and separately change the changelog for develop (these bugfix changes don't guarantee a oorresponding history with develop anyways, so it being a bit out of synch doesn't matter).

Fixes #4015
* fix expected list of elements for Parmed PSF test
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codecov bot commented Mar 29, 2023

Codecov Report

❗ No coverage uploaded for pull request base (package-2.4.3@264d6f9). Click here to learn what that means.
Patch has no changes to coverable lines.

Additional details and impacted files
@@               Coverage Diff                @@
##             package-2.4.3    #4102   +/-   ##
================================================
  Coverage                 ?   93.67%           
================================================
  Files                    ?       14           
  Lines                    ?     1091           
  Branches                 ?        0           
================================================
  Hits                     ?     1022           
  Misses                   ?       69           
  Partials                 ?        0           

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@IAlibay IAlibay merged commit 8599e47 into package-2.4.3 Mar 29, 2023
@IAlibay IAlibay deleted the prerelease-package-2.4.3 branch March 29, 2023 23:29
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RMeli commented Mar 30, 2023

Spack updated: spack/spack#36541

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4 participants