Fix cleanup_processes ValueError on normal workflow exit#11
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jonmarks12 wants to merge 10 commits intoMolecularAI:publicfrom
Open
Fix cleanup_processes ValueError on normal workflow exit#11jonmarks12 wants to merge 10 commits intoMolecularAI:publicfrom
jonmarks12 wants to merge 10 commits intoMolecularAI:publicfrom
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adds MLFSM and PRFO Nodes
…-runtime-cleanup
…workflow with conditional SG for Sella searches
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Problem
Currently both examples and my own implementations end with a
ValueErrordue to the dual cleanup mechanism inRunPool. The class registers cleanup_processes withatexitfor safety, but also explicitly callscleanup_processesin__exit__. This causes:__exit__) successfully cleans up all processes, empties theprocslistatexit) attempts to clean up again withitemslist intact butprocslist emptyzip(items, procs, strict=True)raisesValueErrorbecause lists have different lengths in second cleanupSolution
This PR modifies
cleanup_processesto handle the dual cleanup scenario gracefully while improving safety:strict=Falseto allow standard cleanup in scenarios whereitemsis longer thanprocsRuntimeErrorafterwards to indicate the mismatchTesting
Adds a test suite (
test_cleanup.py) covering:Thanks for maintaining this project! Happy to make any adjustments based on feedback.