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Fix recursive workgraph #336

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Fix recursive workgraph #336

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c04d416
Add the executor to the globals so that it can be used in the task
superstar54 Sep 22, 2024
f8f6fa3
Use group_inputs and group_outputs when creating Task
superstar54 Sep 22, 2024
7e61384
Merge branch 'main' into fix/recursive
superstar54 Sep 22, 2024
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7 changes: 7 additions & 0 deletions aiida_workgraph/engine/workgraph.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1032,6 +1032,13 @@ def run_tasks(self, names: t.List[str], continue_workgraph: bool = True) -> None

self.report(f"Run task: {name}, type: {task['metadata']['node_type']}")
executor, _ = get_executor(task["executor"])
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What kind of task is this? When I create add a task in WorkGraph there is no task["executor"] but I can do task.get_executor()

# Add the executor to the globals so that it can be used in the task
# in the case of recursive workgraph
# We also need to rebuild the Task calss and attach it to the executor
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Suggested change
# We also need to rebuild the Task calss and attach it to the executor
# We also need to rebuild the Task calls and attach it to the executor

if task["metadata"]["node_type"].upper() == "GRAPH_BUILDER":
task_class = Task.from_dict(self.ctx._tasks[name])
executor.node = executor.task = task_class.__class__
executor.__globals__[executor.__name__] = executor
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My concern is that executors will have the same name as it is not always unique and then override each other. For calcfunctions for example it is the name of the function which is reasonable, as it is only overridden if a function with the same name is defined. But for the case of local functions, this overrides any global definition.

from aiida_workgraph import task, WorkGraph
from aiida.engine import calcfunction
from aiida import load_profile

load_profile()

@task.graph_builder()
def my_add():
    @calcfunction
    def add(x, y):
        return x+y
    wg = WorkGraph()
    task = wg.add_task(add, x=1, y=1)
    return wg
    
wg = my_add()
print(wg.tasks["add1"].get_executor()['name']) # out 'add' but better 'my_add.add'

I guess solving this issue requires much more work and since we don't have any examples defining calcfunctions locally (however we have to load codes locally in graph_builder), I think it is not very crucial, but an issue would be nice to keep this in mind.

# print("executor: ", executor)
args, kwargs, var_args, var_kwargs, args_dict = self.get_inputs(name)
for i, key in enumerate(self.ctx._tasks[name]["args"]):
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