sphuber / aiida-shell

AiiDA plugin that makes running shell commands easy.
MIT License
14 stars 7 forks source link

`ShellJob`: Do not copy contents of `nodes` to repository #47

Closed sphuber closed 1 year ago

sphuber commented 1 year ago

The contents of all SinglefileData and FolderData nodes in the nodes input namespace are written to the sandbox folder during the prepare_for_submission. The contents of this folder are also copied to the repository of the CalcJobNode representing the ShellJob execution.

This is undesirable, however, since the content is essentially duplicated in the data storage. The fact that all this content is already indirectly attached to the CalcJobNode through the input links of the relevant input node, it is not necessary to store it once again.

Therefore, all content written to the folder sandbox are added to the provenance_exclude_list which ensures that the engine does not copy the contents to the CalcJobNode repository.