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Add Ruff to pre-commit hooks #1207

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merged 10 commits into from
Nov 22, 2024
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chrisjonesBSU
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@chrisjonesBSU chrisjonesBSU commented Nov 14, 2024

PR Summary:

This adds Ruff to the pre-commit hooks, like we did in GMSO and foyer

Closes #1186

PR Checklist


  • Includes appropriate unit test(s)
  • Appropriate docstring(s) are added/updated
  • Code is (approximately) PEP8 compliant
  • Issue(s) raised/addressed?

mbuild/compound.py Dismissed Show dismissed Hide dismissed
mbuild/conversion.py Dismissed Show dismissed Hide dismissed
mbuild/conversion.py Dismissed Show dismissed Hide dismissed
mbuild/conversion.py Dismissed Show dismissed Hide dismissed
element_list = [
c.element for c in container.particles_by_element("sod")
]
element_list = [c.element for c in container.particles_by_element("sod")]

Check notice

Code scanning / CodeQL

Unused local variable Note test

Variable element_list is not used.
mbuild/utils/io.py Fixed Show fixed Hide fixed
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codecov bot commented Nov 15, 2024

Codecov Report

Attention: Patch coverage is 81.45695% with 28 lines in your changes missing coverage. Please review.

Project coverage is 85.68%. Comparing base (a4c41c5) to head (d74671e).
Report is 3 commits behind head on main.

Files with missing lines Patch % Lines
mbuild/formats/cassandramcf.py 0.00% 18 Missing ⚠️
mbuild/compound.py 92.10% 3 Missing ⚠️
mbuild/formats/json_formats.py 62.50% 3 Missing ⚠️
mbuild/lib/recipes/silica_interface.py 33.33% 2 Missing ⚠️
mbuild/periodic_kdtree.py 50.00% 1 Missing ⚠️
mbuild/utils/decorators.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1207      +/-   ##
==========================================
- Coverage   85.73%   85.68%   -0.06%     
==========================================
  Files          53       53              
  Lines        4802     4791      -11     
==========================================
- Hits         4117     4105      -12     
- Misses        685      686       +1     

☔ View full report in Codecov by Sentry.
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@CalCraven CalCraven left a comment

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I think this is good to go!

@CalCraven CalCraven merged commit 390927e into mosdef-hub:main Nov 22, 2024
14 of 16 checks passed
CalCraven pushed a commit to CalCraven/mbuild that referenced this pull request Nov 22, 2024
* update CI and precommit files

* add ruff changes

* remove gmso lines

* [pre-commit.ci] auto fixes from pre-commit.com hooks
for more information, see https://pre-commit.ci

* change error type in test

* raise the error that is created

* remove duplicate windows 3.12 test

* fix precommit errors

* fix import error

* fix CI error

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
@chrisjonesBSU chrisjonesBSU deleted the add/ruff branch November 26, 2024 22:04
CalCraven added a commit that referenced this pull request Dec 6, 2024
* fix label handling during flatten

* Change the reset_labels method for compound.py to label the container lists with the format 'all-{name}s' for clarity

* Add Ruff to pre-commit hooks (#1207)

* update CI and precommit files

* add ruff changes

* remove gmso lines

* [pre-commit.ci] auto fixes from pre-commit.com hooks
for more information, see https://pre-commit.ci

* change error type in test

* raise the error that is created

* remove duplicate windows 3.12 test

* fix precommit errors

* fix import error

* fix CI error

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* [pre-commit.ci] auto fixes from pre-commit.com hooks
for more information, see https://pre-commit.ci

* Fix labeling of windows compounds

* fix references in monomers tests

---------

Co-authored-by: Chris Jones <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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Add Ruff to pre-commit
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