materialsproject / fireworks

The Fireworks Workflow Management Repo.
https://materialsproject.github.io/fireworks
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Feature Request: add workflow query to set_priority() on command line #422

Open rkingsbury opened 4 years ago

rkingsbury commented 4 years ago

Feature Request:

It is currently not possible to use the CLI set_priority() command to query workflows, only fireworks. But sometimes the workflow contains metadata that is useful for assigning priorities that is not available in the individual fireworks.

For example, In a 2-FW workflow for DFT structure optimization, the workflow metadata.nelements key indicates the number of distinct elements in the structure. If I want to increase the priority of all single elements, I can't use the command line to do so because the metadata.nelements key is not in the individual FW specs, only the WF.

Per internal discussion with @computron , this could be implemented by adding a command line argument to redirect the query to the WF:

there is a “wf_query” switch in the lpad_run.py code that switches whether the query is done on the FWs or workflows collection