Update aiida-workgraph to 0.8.1

binder/environment.yml

@@ -12,7 +12,7 @@ dependencies:
 - pyiron_base =0.15.12
 - pyiron_workflow =0.15.4
 - pygraphviz =1.14
-- aiida-workgraph =0.7.6
+- aiida-workgraph =0.8.1
 - plumpy =0.25.0
 - conda_subprocess =0.0.10
 - networkx =3.4.2

example_workflows/quantum_espresso/executorlib.ipynb

@@ -737,12 +737,12 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": null,
    "id": "d81a4fb5-a674-41a9-ac19-24c56f952468",
    "metadata": {},
    "outputs": [],
    "source": [
-    "wg.nodes.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
+    "wg.tasks.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
    ]
   },
   {

example_workflows/quantum_espresso/jobflow.ipynb

@@ -912,7 +912,7 @@
    },
    "outputs": [],
    "source": [
-    "wg.nodes.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
+    "wg.tasks.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
    ]
   },
   {

example_workflows/quantum_espresso/pyiron_base.ipynb

@@ -835,7 +835,7 @@
    },
    "outputs": [],
    "source": [
-    "wg.nodes.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
+    "wg.tasks.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
    ]
   },
   {

example_workflows/quantum_espresso/pyiron_workflow.ipynb

@@ -4750,7 +4750,7 @@
    },
    "outputs": [],
    "source": [
-    "wg.nodes.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
+    "wg.tasks.get_bulk_structure.inputs.a.value = orm.Float(4.05)"
    ]
   },
   {

pyproject.toml

@@ -22,7 +22,7 @@ dynamic = ["version"]
 
 [project.optional-dependencies]
 aiida = [
-    "aiida-workgraph>=0.5.1,<=0.7.6",
+    "aiida-workgraph>=0.5.1,<=0.8.1",
 ]
 jobflow = [
     "jobflow>=0.1.18,<=0.2.1",

src/python_workflow_definition/aiida.py

@@ -6,7 +6,7 @@
 from aiida_workgraph import WorkGraph, task, Task, namespace
 from aiida_workgraph.socket import TaskSocketNamespace
 from dataclasses import replace
-from node_graph.node_spec import SchemaSource
+from node_graph.task_spec import SchemaSource
 from python_workflow_definition.models import PythonWorkflowDefinitionWorkflow
 from python_workflow_definition.shared import (
     convert_nodes_list_to_dict,
@@ -109,9 +109,9 @@ def write_workflow_json(wg: WorkGraph, file_name: str) -> dict:
         # if the from socket is the default result, we set it to None
         if link_data["from_socket"] == "result":
             link_data["from_socket"] = None
-        link_data[TARGET_LABEL] = node_name_mapping[link_data.pop("to_node")]
+        link_data[TARGET_LABEL] = node_name_mapping[link_data.pop("to_task")]
         link_data[TARGET_PORT_LABEL] = link_data.pop("to_socket")
-        link_data[SOURCE_LABEL] = node_name_mapping[link_data.pop("from_node")]
+        link_data[SOURCE_LABEL] = node_name_mapping[link_data.pop("from_task")]
         link_data[SOURCE_PORT_LABEL] = link_data.pop("from_socket")
         data[EDGES_LABEL].append(link_data)