aiidateam / aiida-workgraph

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
https://aiida-workgraph.readthedocs.io/en/latest/
MIT License
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Capture `ValueError` from `aiida-shell` for non-existing executable #348

Closed GeigerJ2 closed 1 week ago

GeigerJ2 commented 1 week ago

The prepare_shell_job_inputs function from aiida-shell checks if it can resolve the path to a given executable. If not, it raises a ValueError to indicate that the executable is not available. However, if one tries to run a ShellJob Task via the WorkGraph, this error is not captured. Instead, the task is tried to run normally, and eventually fails (as can be seen from verdi process report on the failed task).