Preserve Jobflow settings swaps during serialization - #3413
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Preserve Jobflow settings swaps during serialization#3413Andrew-S-Rosen wants to merge 1 commit into
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #3413 +/- ##
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Coverage 99.48% 99.48%
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Files 104 104
Lines 4277 4290 +13
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+ Hits 4255 4268 +13
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Summary
settings_swapvalues in the serialized job document instead of only in a function closureESPRESSO_PARALLEL_CMDthrough a Monty/Jobflow serialization round-tripRoot cause
Jobflow serializes a job callable by its module and name. The existing settings wrapper captured
settings_swapin a local closure, so deserializing the job remotely resolved the original module-level function and discarded the captured settings. This caused values such as the"-npool 2"suffix to be lost.Impact
Redecorated Jobflow jobs now retain temporary quacc settings when submitted to a remote worker, including tuple-valued Espresso parallel commands.
Validation
python -m pytest tests/jobflow -q(24 passed)python -m ruff check src/quacc/wflow_tools/decorators.py tests/jobflow/test_customizers.pypython -m ruff format --check src/quacc/wflow_tools/decorators.py tests/jobflow/test_customizers.pyCloses #2501