Use shutil.copyfile instead of os.system("cp") in packing (Windows portability)#1343
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rayair250-droid wants to merge 1 commit into
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Use shutil.copyfile instead of os.system("cp") in packing (Windows portability)#1343rayair250-droid wants to merge 1 commit into
rayair250-droid wants to merge 1 commit into
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The two os.system("cp ...") calls in packing.py fail on Windows (cp is
Unix-only) even though mBuild ships on conda-forge win-64. They also shell
out unnecessarily. shutil is already imported and used in this module, so
replace them with shutil.copyfile for a portable, shell-free copy.
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Contributor
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Thanks for the pull request! I agree, using shutil instead of os is better here in general. |
chrisjonesBSU
approved these changes
Jul 3, 2026
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In
_run_packmol(mbuild/packing.py), two copies shell out tocpviaos.system.cpis a Unix-only command, but mBuild is distributed on conda-forge for win-64, and_check_packmolright below already branches onsys.platform.startswith("win"). On Windows both calls fail, which breaks:<name>_FORCEDover the result, andtemp_file.They also invoke a shell with interpolated filenames unnecessarily (breaks on paths containing spaces).
Change
Replace both
os.system("cp ...")calls withshutil.copyfile(...)— portable, shell-free, and already used elsewhere in this module (shutilis imported at the top). Also drops a no-op single-argumentos.path.join(temp_file).No behavior change on Unix; fixes the code path on Windows. Happy to add a regression test if desired.