Merge remote-tracking branch 'origin/main' into cwl

Author: jan-janssen

example_workflows/arithmetic/workflow.json

@@ -1,4 +1,5 @@
 {
+  "version": "0.0.1",
   "nodes": [
     {"id": 0, "type": "function", "value": "workflow.get_prod_and_div"},
     {"id": 1, "type": "function", "value": "workflow.get_sum"},

example_workflows/nfdi/workflow.json

@@ -1,4 +1,5 @@
 {
+  "version": "0.0.1",
   "nodes": [
     {"id": 0, "type": "function", "value": "workflow.generate_mesh"},
     {"id": 1, "type": "function", "value": "workflow.convert_to_xdmf"},

example_workflows/quantum_espresso/workflow.json

@@ -1,4 +1,5 @@
 {
+  "version": "0.0.1",
   "nodes": [
     {"id": 0, "type": "function", "value": "workflow.get_bulk_structure"},
     {"id": 1, "type": "function", "value": "workflow.calculate_qe"},

python_workflow_definition/src/python_workflow_definition/aiida.py

@@ -18,6 +18,8 @@
     SOURCE_PORT_LABEL,
     TARGET_LABEL,
     TARGET_PORT_LABEL,
+    VERSION_NUMBER,
+    VERSION_LABEL,
 )
 
 
@@ -139,6 +141,7 @@ def write_workflow_json(wg: WorkGraph, file_name: str) -> dict:
                         SOURCE_PORT_LABEL: None,
                     }
                 )
+    data[VERSION_LABEL] = VERSION_NUMBER
     PythonWorkflowDefinitionWorkflow(
         **set_result_node(workflow_dict=update_node_names(workflow_dict=data))
     ).dump_json_file(file_name=file_name, indent=2)

python_workflow_definition/src/python_workflow_definition/jobflow.py

@@ -20,6 +20,8 @@
     SOURCE_PORT_LABEL,
     TARGET_LABEL,
     TARGET_PORT_LABEL,
+    VERSION_NUMBER,
+    VERSION_LABEL,
 )
 
 
@@ -339,6 +341,7 @@ def write_workflow_json(flow: Flow, file_name: str = "workflow.json"):
         **set_result_node(
             workflow_dict=update_node_names(
                 workflow_dict={
+                    VERSION_LABEL: VERSION_NUMBER,
                     NODES_LABEL: nodes_store_lst,
                     EDGES_LABEL: edges_lst,
                 }

python_workflow_definition/src/python_workflow_definition/models.py

@@ -116,6 +116,7 @@ def serialize_source_handle(self, v: Optional[str]) -> Optional[str]:
 class PythonWorkflowDefinitionWorkflow(BaseModel):
     """The main workflow model."""
 
+    version: str
     nodes: List[PythonWorkflowDefinitionNode]
     edges: List[PythonWorkflowDefinitionEdge]
 

python_workflow_definition/src/python_workflow_definition/pyiron_base.py

@@ -20,6 +20,8 @@
     SOURCE_PORT_LABEL,
     TARGET_LABEL,
     TARGET_PORT_LABEL,
+    VERSION_NUMBER,
+    VERSION_LABEL,
 )
 
 
@@ -300,6 +302,7 @@ def write_workflow_json(
         **set_result_node(
             workflow_dict=update_node_names(
                 workflow_dict={
+                    VERSION_LABEL: VERSION_NUMBER,
                     NODES_LABEL: nodes_store_lst,
                     EDGES_LABEL: edges_new_lst,
                 }

python_workflow_definition/src/python_workflow_definition/shared.py

@@ -6,6 +6,8 @@
 SOURCE_PORT_LABEL = "sourcePort"
 TARGET_LABEL = "target"
 TARGET_PORT_LABEL = "targetPort"
+VERSION_NUMBER = "0.0.1"
+VERSION_LABEL = "version"
 
 
 def get_dict(**kwargs) -> dict: