Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
There is no provenance stored for a normal task. If the user wants to store the provenance, they need to switch to calcfunction or PythonJob. But the downsides are
calcfunction needs AiiDA nodes as input and output
PythonJob requires the module to be importable in the working computer.
Is it possible to combine the upsides of the above tasks: 1) can be run locally; 2) automatically serialize inputs and outputs. Maybe we could add store_provenance argument for a normal task, e.g.,
@task()
def add(x, y):
return x + y
wg = WorkGraph()
add_task = wg.add_task(add, name="add1", x=1, y=2,
store_provenance=True,)
wg.run()
There is no provenance stored for a
normaltask. If the user wants to store the provenance, they need to switch tocalcfunctionorPythonJob. But the downsides arecalcfunctionneeds AiiDA nodes as input and outputPythonJobrequires the module to be importable in the working computer.Is it possible to combine the upsides of the above tasks: 1) can be run locally; 2) automatically serialize inputs and outputs. Maybe we could add
store_provenanceargument for anormaltask, e.g.,