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[WIP] Add support for AiiDA

Open Andrew-S-Rosen opened this issue 2 months ago • 0 comments

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.

Andrew-S-Rosen avatar Nov 08 '25 15:11 Andrew-S-Rosen