mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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Fix deprecation warnig in `packing.py` and replace `.format()` with f-strings where possible. #1192

Closed chrisjonesBSU closed 2 months ago

chrisjonesBSU commented 3 months ago

PR Summary:

This is a PR that does 2 things:

1) Fix a deprecation warning that is being raised about find_executable in distutils

>>> from distutils.spawn import find_executable
>>> find_executable("PACKMOL")
<stdin>:1: DeprecationWarning: Use shutil.which instead of find_executable

2) It also replaces .format() with f-strings in many places in an effort to clean things up a bit (I was bored at an airport)

PR Checklist


codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 87.34%. Comparing base (0ca30d2) to head (e120962). Report is 7 commits behind head on main.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #1192 +/- ## ======================================= Coverage 87.34% 87.34% ======================================= Files 62 62 Lines 6584 6584 ======================================= Hits 5751 5751 Misses 833 833 ```

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chrisjonesBSU commented 2 months ago

Merging this after discussing with Cal on a mosdef dev call.