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Fix recursive workgraph #336

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Fix recursive workgraph #336

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@superstar54 superstar54 commented Sep 22, 2024

Fix #333 .

There seems to be a bug in cloudpickle, that the decorated function is not in the globals.
This PR provides a temporary solution.

There is also a bug related to group_outputs, which is fixed in #335 .

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codecov-commenter commented Sep 22, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 80.61%. Comparing base (5937b88) to head (7e61384).
Report is 91 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #336      +/-   ##
==========================================
+ Coverage   75.75%   80.61%   +4.86%     
==========================================
  Files          70       66       -4     
  Lines        4615     5139     +524     
==========================================
+ Hits         3496     4143     +647     
+ Misses       1119      996     -123     
Flag Coverage Δ
python-3.11 80.54% <100.00%> (+4.87%) ⬆️
python-3.12 80.54% <100.00%> (?)
python-3.9 80.57% <100.00%> (+4.83%) ⬆️

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@@ -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"])
# 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

@@ -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()

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.

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Recursive WorkGraph with Graph Builder can only be run for the amount of redefinition of it
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