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Allow for thread-safe execution #1780

Merged
merged 14 commits into from
Feb 28, 2024
Merged

Allow for thread-safe execution #1780

merged 14 commits into from
Feb 28, 2024

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Andrew-S-Rosen
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@Andrew-S-Rosen Andrew-S-Rosen commented Feb 28, 2024 •
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Summary of Changes

This PR adds a new quacc setting, CHDIR, that will allow the user to specify whether any os.chdir calls are made, thereby allowing for multiple jobs to be run on a single Python process.

Closes #1641.

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 used black, isort, and ruff as described in the style guide.
  • I have added relevant, comprehensive unit tests.

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  • If you are an external contributor, you will see a comment from @buildbot-princeton. This is solely for the maintainers.
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Andrew-S-Rosen and others added 14 commits February 28, 2024 10:41
@Andrew-S-Rosen
Allow for thread-safe execution
d31eadc
@Andrew-S-Rosen
Update prep.py
4b2529e
@Andrew-S-Rosen
Update settings.py
94044f1
@Andrew-S-Rosen
Update test_core_recipes.py
8744a2a
@deepsource-autofix
style: format code with Black, isort and Prettier
269e96e 
This commit fixes the style issues introduced in 8744a2a according to the output
from Black, isort and Prettier.

Details: #1780
@Andrew-S-Rosen
Update test_lj_recipes.py
ccf1fdd
@deepsource-autofix
style: format code with Black, isort and Prettier
41546be 
This commit fixes the style issues introduced in ccf1fdd according to the output
from Black, isort and Prettier.

Details: #1780
@Andrew-S-Rosen
Update test_core_recipes.py
8589cc3
@Andrew-S-Rosen
Update test_lj_recipes.py
dfcf9cc
@Andrew-S-Rosen
Update test_emt_recipes.py
a742789
@deepsource-autofix
style: format code with Black, isort and Prettier
7c5f0e8 
This commit fixes the style issues introduced in a742789 according to the output
from Black, isort and Prettier.

Details: #1780
@Andrew-S-Rosen
Update test_core_recipes.py
7329486
@deepsource-autofix
style: format code with Black, isort and Prettier
45c60f6 
This commit fixes the style issues introduced in 7329486 according to the output
from Black, isort and Prettier.

Details: #1780
@Andrew-S-Rosen
Update test_emt_recipes.py
0530d10
@codecov Codecov
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codecov bot commented Feb 28, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.41%. Comparing base (5426e78) to head (0530d10).

Additional details and impacted files 
@@           Coverage Diff           @@
##             main    #1780   +/-   ##
=======================================
  Coverage   99.41%   99.41%           
=======================================
  Files          79       79           
  Lines        3076     3079    +3     
=======================================
+ Hits         3058     3061    +3     
  Misses         18       18

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@Andrew-S-Rosen Andrew-S-Rosen merged commit 47b96f1 into main Feb 28, 2024
21 checks passed
@Andrew-S-Rosen Andrew-S-Rosen deleted the threads branch February 28, 2024 19:13
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Successfully merging this pull request may close these issues.

MLP jobs can raise an error when launched in a multi-threading mode
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@Andrew-S-Rosen