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@Andrew-S-Rosen Andrew-S-Rosen commented Nov 8, 2025

Summary of Changes

Closes #3006.

This PR seeks to add support for AiiDA via aiida-workgraph. The PR is currently a draft and far from ready. Help wanted!

quacc set WORKFLOW_ENGINE aiida
from quacc import job, flow

@job
def add(a, b):
    return a + b

@job
def mult(a, b):
    return a * b

@flow
def workflow(a, b, c):
    return mult(add(a, b), c)

assert workflow.run(1, 2, 3) == 9

Requirements

Note: If you are an external contributor, you will see a comment from @buildbot-princeton. This is solely for the maintainers.

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Add support for AiiDA workgraph

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