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Update aiida.py
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  • python_workflow_definition/src/python_workflow_definition

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python_workflow_definition/src/python_workflow_definition/aiida.py

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@@ -125,38 +125,6 @@ def write_workflow_json(wg, file_name):
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return data
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def construct_wg_simple(add_x_and_y_func, add_x_and_y_and_z_func) -> WorkGraph:
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helper_1 = pickle_node
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helper_2 = pickle_node
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add_x_and_y = task.pythonjob(outputs=["x", "y", "z"])(add_x_and_y_func)
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add_x_and_y_and_z = task.pythonjob()(add_x_and_y_and_z_func)
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# TODO: Create inputs rather than tasks out of data nodes
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wg = WorkGraph("wg-simple")
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helper_task1 = wg.add_task(helper_1, name="x", value=1)
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helper_task2 = wg.add_task(helper_2, name="y", value=2)
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add_x_and_y_task = wg.add_task(
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add_x_and_y,
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name="add_x_and_y",
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x=helper_task1.outputs.result,
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y=helper_task2.outputs.result,
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)
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add_x_and_y_and_z_task = wg.add_task(
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add_x_and_y_and_z,
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name="add_x_and_y_and_z",
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x=add_x_and_y_task.outputs.x,
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y=add_x_and_y_task.outputs.y,
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z=add_x_and_y_task.outputs.z,
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)
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return wg
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def construct_wg_qe(
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get_bulk_structure,
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calculate_qe,

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