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Breaking: Don't try to auto-detect the workflow engine #2124

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merged 2 commits into from
May 12, 2024

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@Andrew-S-Rosen Andrew-S-Rosen commented May 12, 2024

Summary of Changes

Previously, quacc would try to auto-detect which workflow engine you had installed and then set that as the default. This, however, is too smart for its own good. It often leads to user confusion because if you install (say) atomate2 and get jobflow installed as a side-effect, it will auto-change to jobflow without the user knowing. This behavior has been disabled. As noted in the docs, the user should specific explicitly which workflow engine to use.

Checklist

  • I have read the "Guidelines" section of the contributing guide. Don't lie! 😉
  • My PR is on a custom branch and is not named main.
  • I have added relevant, comprehensive unit tests.

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  • When your code is ready for review, ping one of the active maintainers.

@Andrew-S-Rosen Andrew-S-Rosen enabled auto-merge (squash) May 12, 2024 05:36
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codecov bot commented May 12, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.06%. Comparing base (43fd98f) to head (3f7dd96).

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #2124      +/-   ##
==========================================
- Coverage   99.06%   99.06%   -0.01%     
==========================================
  Files          81       81              
  Lines        3320     3318       -2     
==========================================
- Hits         3289     3287       -2     
  Misses         31       31              

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@Andrew-S-Rosen Andrew-S-Rosen merged commit ba73e60 into main May 12, 2024
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@Andrew-S-Rosen Andrew-S-Rosen deleted the defaultwflow branch May 12, 2024 05:44
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