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Add progress bar keywords #4085

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marinegor
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@marinegor marinegor commented Mar 21, 2023

Fixes #3190

Changes made in this Pull Request:

  • add keyword-only pbar_kwargs argument to the AnalysisBase.run method

This presumably fixes the comments raised in this PR which was closed earlier, since the keyword-only mechanism prevents capturing other arguments during dictionary unpacking.

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

📚 Documentation preview 📚: https://readthedocs-preview--4085.org.readthedocs.build/en/4085/

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Hello there first time contributor! Welcome to the MDAnalysis community! We ask that all contributors abide by our Code of Conduct and that first time contributors introduce themselves on the developer mailing list so we can get to know you. You can learn more about participating here. Please also add yourself to package/AUTHORS as part of this PR.

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codecov bot commented Mar 21, 2023

Codecov Report

Patch and project coverage have no change.

Comparison is base (75f0fb9) 93.58% compared to head (cd26ce5) 93.58%.

Additional details and impacted files
@@           Coverage Diff            @@
##           develop    #4085   +/-   ##
========================================
  Coverage    93.58%   93.58%           
========================================
  Files          192      192           
  Lines        25133    25133           
  Branches      4056     4056           
========================================
  Hits         23520    23520           
  Misses        1093     1093           
  Partials       520      520           
Impacted Files Coverage Δ
package/MDAnalysis/analysis/base.py 96.94% <ø> (ø)

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@marinegor
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Hi everyone, I'm not entirely sure what to do with the failing tests -- afais all of them fail with:

Error: There was an error fetching the storage URL during POST: 500 - Unknown error, please try again later

error during codecov report upload, so presumably issue is not with my code. Locally all tests run successfully.

@hmacdope
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@marinegor yes not your fault, codecov is super flaky. Please fix conflicts and then ill review :)

@marinegor
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Hey @hmacdope I wonder what would be the best way to confidently resolve the "package/AUTHORS" merge conflict -- I pulled upstream & resolved conflict, but since new contributions keep coming to the develop, it keeps happening🤔

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You will have to update your PR every time develop changes, unfortunately thats just a byproduct of how distributed code development works.

@marinegor
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marinegor commented Mar 24, 2023 via email

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One quick change, but other than that looks good. You will need to add a CHANGELOG entry also and introduce yourself on the developer/gsoc mailing list if you havnt already.

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@yuxuanzhuang
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Sorry if a few comments are outdated already. I didn't realize I need to submit my review. I thought "pending" means pending for feedback :⁠-⁠)

@marinegor marinegor requested review from yuxuanzhuang and hmacdope and removed request for yuxuanzhuang and hmacdope March 26, 2023 17:51
@marinegor
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I apologize for the little mess with requesting code -- hope you didn't get much annoying notifications about it :)

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LGTM!

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github-actions bot commented Mar 28, 2023

Linter Bot Results:

Hi @marinegor! Thanks for making this PR. We linted your code and found the following:

There are currently no issues detected! 🎉

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LGTM

@hmacdope hmacdope merged commit 5b01ed8 into MDAnalysis:develop Mar 29, 2023
IAlibay added a commit that referenced this pull request Dec 17, 2023
orbeckst added a commit that referenced this pull request Dec 21, 2023
Update of AUTHORS and CHANGELOG with inferred author contributions.

*  Removed duplicate mattwthompson in 0.20.0 changelog entry.: mattwthompson was placed twice by accident, this removes this duplication.

* Addition of missing authors.

   An retrospective analysis of the authors found via `git shortlog -s -n --email --branches="develop"` found several commits by authors which were not present in the `AUTHORS.md` file.

    - Zhenbo Li: commited via PR: Started tests for gnm. #803 and Make Travis run tests on OSX. #771,
    - Jenna M. Swarthout via PR Update CoC according to suggestions from current CoC committee #4289 and Point to new reporting form link (owned by conduct@mdanalysis.org) #4298,
    - Bradley Dice via PR   Fix GSD Windows compatibility #2384 ,
    - David Minh via PR #2668

   There seemed to be no indications in the above mentioned PRs that the author did not want to be in the authors file, it looks like it was just forgotten.

* Addition of missing entries from the changelog

   Continued cross referencing of the git shortlog output but also accounting for the changelog identified several individuals that had not been included in the changelog entries for the release they contributed under. They were added to the relevant entry of the changelog based on the merge commit date.

   Please note that for Tone Bengsten, we a) had no github handle (so they were assigned @tbengtsen), and b) no specific commit. Given we know that this individual was including alongside the encore merge, they were assigned to the 0.16.0 release.

* Update CHANGELOG
* PR #1218
* PR #1284 and #1408
* PR #4109
* based on git history
* PRs #803 and #771 (author addition, changelog addition)
* PR #2255 and #2221
* PR #1225
* PR #4289 and #4298
* PR #4031
* PR #4085
* PR #3635
* PR #2356
* PR #2559
* No GH handle - Encore author addition @tbengtsen
* PR #4184
* PR #2614
* PR #2219
* PR #2384
* PR #2668
* Add missing entry for Jenna

Thanks to @fiona-naughton for helping out with digging into this data :)

Co-authored-by: Fiona Naughton <fiona@mdanalysis.org>
Co-authored-by: Oliver Beckstein <orbeckst@mdanalysis.org>
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Allow specification of ProgressBar keyword arguments in the AnalysisBase run method
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