From 270b5406ef986bc18c806e8275c686d0162128d8 Mon Sep 17 00:00:00 2001
From: Jan Janssen <janssen@mpie.de>
Date: Wed, 14 May 2025 09:29:59 +0200
Subject: [PATCH] Add version number to JSON format

---
 example_workflows/arithmetic/workflow.json                     | 1 +
 example_workflows/nfdi/workflow.json                           | 1 +
 example_workflows/quantum_espresso/workflow.json               | 1 +
 .../src/python_workflow_definition/aiida.py                    | 3 +++
 .../src/python_workflow_definition/jobflow.py                  | 3 +++
 .../src/python_workflow_definition/models.py                   | 1 +
 .../src/python_workflow_definition/pyiron_base.py              | 3 +++
 .../src/python_workflow_definition/shared.py                   | 2 ++
 8 files changed, 15 insertions(+)

diff --git a/example_workflows/arithmetic/workflow.json b/example_workflows/arithmetic/workflow.json
index d486d81..4ad5c86 100644
--- a/example_workflows/arithmetic/workflow.json
+++ b/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"},
diff --git a/example_workflows/nfdi/workflow.json b/example_workflows/nfdi/workflow.json
index c964fa8..a299fb7 100644
--- a/example_workflows/nfdi/workflow.json
+++ b/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"},
diff --git a/example_workflows/quantum_espresso/workflow.json b/example_workflows/quantum_espresso/workflow.json
index 1164515..7b1464b 100644
--- a/example_workflows/quantum_espresso/workflow.json
+++ b/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"},
diff --git a/python_workflow_definition/src/python_workflow_definition/aiida.py b/python_workflow_definition/src/python_workflow_definition/aiida.py
index 6a917c1..e2464bd 100644
--- a/python_workflow_definition/src/python_workflow_definition/aiida.py
+++ b/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)
diff --git a/python_workflow_definition/src/python_workflow_definition/jobflow.py b/python_workflow_definition/src/python_workflow_definition/jobflow.py
index a0fb140..969251c 100644
--- a/python_workflow_definition/src/python_workflow_definition/jobflow.py
+++ b/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,
                 }
diff --git a/python_workflow_definition/src/python_workflow_definition/models.py b/python_workflow_definition/src/python_workflow_definition/models.py
index 2e196ef..4980cfa 100644
--- a/python_workflow_definition/src/python_workflow_definition/models.py
+++ b/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]
 
diff --git a/python_workflow_definition/src/python_workflow_definition/pyiron_base.py b/python_workflow_definition/src/python_workflow_definition/pyiron_base.py
index 8785553..437c562 100644
--- a/python_workflow_definition/src/python_workflow_definition/pyiron_base.py
+++ b/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,
                 }
diff --git a/python_workflow_definition/src/python_workflow_definition/shared.py b/python_workflow_definition/src/python_workflow_definition/shared.py
index 0467463..da2d9fa 100644
--- a/python_workflow_definition/src/python_workflow_definition/shared.py
+++ b/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: