sphuber / aiida-shell

AiiDA plugin that makes running shell commands easy.
MIT License
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`launch_shell_job`: Add option to keep skip resolving of `command` #73

Closed sphuber closed 7 months ago

sphuber commented 7 months ago

Fixes #72

By default, launch_shell_job would resolve the command to the absolute filepath of the corresponding executable. This would serve two purposes: checking the command exists and increasing the reproducibility. The relative command name may be changed on the remote over time to point to another executable. By using the absolute filepath this probability is reduced, but of course not fully avoided since the file at the absolute path can still be changed on the remote.