aiidateam / aiida-core

The official repository for the AiiDA code
https://aiida-core.readthedocs.io
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Graphviz added controls #6168

Open edan-bainglass opened 8 months ago

edan-bainglass commented 8 months ago

It would be nice if one could do a bit more with verdi node graph generate. Though we do provide the various engines via -e, there is no entry point to provide attributes to the engine.

Simple common controls could be considered directly as CLI arguments. For greater control, we could add a CLI flag to provide parameters via an input file (per @sphuber suggestion).

sphuber commented 8 months ago

Slight clarification: I didn't necessarily mean that backend-specific parameters should be configurable through a file. Rather, I think the Python API should allow to pass on keyword arguments to the underlying backend. The CLI, which should be a very thin wrapper around the Python API, should also expose this part of the interface. Not really sure on the form, but it could use an input file, if it is better than any other solutions available.