FAIRmat-NFDI / nomad-simulations / 36714416745

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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.

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