FAIRmat-NFDI / nomad-simulations

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Build # 36714416745

Build Type

push

github

Committed by web-flow

Commit Message

Fix workflow task generation for outputs with missing timestamps

- Sort untimed outputs to the end and skip timing-based linking when a timestamp is missing, so a partially-timed output no longer breaks task generation.
- Hoist the sort and `_link_task_by_timing` onto `SimulationWorkflow`; `GeometryOptimization` inherits them instead of duplicating the logic.
- Add regression tests for the parallel and serial workflow types.

Coverage Stats

24 of 24 new or added lines in 3 files covered. (100.0%)

10397 of 11902 relevant lines covered (87.36%)

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