Merge branch 'main' into aw

Author: superstar54

.github/workflows/pipeline.yml

@@ -71,6 +71,7 @@ jobs:
         papermill cwl.ipynb cwl_out.ipynb -k "python3"
         papermill jobflow.ipynb jobflow_out.ipynb -k "python3"
         papermill pyiron_base.ipynb pyiron_base_out.ipynb -k "python3"
+        papermill pyiron_workflow.ipynb pyiron_workflow_out.ipynb -k "python3"
         papermill universal_workflow.ipynb universal_workflow_out.ipynb -k "python3"
 
   quantumespresso:
@@ -105,6 +106,7 @@ jobs:
         papermill cwl.ipynb cwl_out.ipynb -k "python3"
         papermill jobflow.ipynb jobflow_out.ipynb -k "python3"
         papermill pyiron_base.ipynb pyiron_base_out.ipynb -k "python3"
+        papermill pyiron_workflow.ipynb pyiron_workflow_out.ipynb -k "python3"
         papermill universal_workflow.ipynb universal_workflow_out.ipynb -k "python3"
 
   arithmetic:
@@ -133,6 +135,7 @@ jobs:
         papermill cwl.ipynb cwl_out.ipynb -k "python3"
         papermill jobflow.ipynb jobflow_out.ipynb -k "python3"
         papermill pyiron_base.ipynb pyiron_base_out.ipynb -k "python3"
+        papermill pyiron_workflow.ipynb pyiron_workflow_out.ipynb -k "python3"
         papermill universal_workflow.ipynb universal_workflow_out.ipynb -k "python3"
 
   documentation:

binder/environment.yml

@@ -3,14 +3,14 @@ channels:
 dependencies:
 - python =3.12
 - click =8.1.8
-- pydantic =2.11.4
-- hatch =1.14.1
+- pydantic =2.12.3
 - hatchling =1.27.0
 - httpcore =1.0.7
 - jobflow =0.2.0
 - pyiron_base =0.12.0
+- pyiron_workflow =0.13.0
 - pygraphviz =1.14
 - aiida-workgraph =0.7.4
 - conda_subprocess =0.0.7
-- networkx =3.4.2
+- networkx =3.5
 - cwltool =3.1.20250110105449

example_workflows/arithmetic/aiida.ipynb

@@ -410,28 +410,40 @@
      "output_type": "execute_result"
     }
    ],
-   "source": [
-    "delayed_object_lst[-1].pull()"
-   ]
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
-   "language": "python",
-   "name": "python3"
+   "execution_count": 15
+  },
+  {
+   "metadata": {},
+   "cell_type": "markdown",
+   "source": "## Load Workflow with pyiron_workflow"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "from python_workflow_definition.pyiron_workflow import load_workflow_json"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf = load_workflow_json(file_name=workflow_json_filename)"
   },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.10.12"
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.run()"
   }
  },
  "nbformat": 4,

example_workflows/arithmetic/jobflow.ipynb

@@ -577,36 +577,42 @@
    ]
   },
   {
+   "metadata": {},
+   "cell_type": "markdown",
+   "source": "## Load Workflow with pyiron_workflow",
+   "id": "7da4733bfeffee63"
+  },
+  {
+   "metadata": {},
    "cell_type": "code",
+   "outputs": [],
    "execution_count": null,
-   "id": "c199b28f3c0399cc",
-   "metadata": {
-    "collapsed": false,
-    "jupyter": {
-     "outputs_hidden": false
-    }
-   },
+   "source": "from python_workflow_definition.pyiron_workflow import load_workflow_json",
+   "id": "6c87661996ff840b"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
    "outputs": [],
-   "source": []
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "PWD",
-   "language": "python",
-   "name": "pwd"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.10.12"
+   "execution_count": null,
+   "source": "wf = load_workflow_json(file_name=workflow_json_filename)",
+   "id": "33b1e9408924f9c0"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))",
+   "id": "df63b2963a0d90a5"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.run()",
+   "id": "bf110395454bd694"
   }
  },
  "nbformat": 4,

example_workflows/arithmetic/pyiron_base.ipynb

@@ -274,15 +274,49 @@
    ],
    "execution_count": 18
   },
+  {
+   "metadata": {},
+   "cell_type": "markdown",
+   "source": "## Load Workflow with pyiron_workflow",
+   "id": "406fd07dd4bd8006"
+  },
   {
    "id": "cf76f305-24de-45a7-be8e-cfe45cd6458e",
    "cell_type": "code",
-   "source": "",
+   "source": "from python_workflow_definition.pyiron_workflow import load_workflow_json",
    "metadata": {
-    "trusted": true
+    "trusted": true,
+    "ExecuteTime": {
+     "end_time": "2025-05-24T08:25:33.797570Z",
+     "start_time": "2025-05-24T08:25:33.771214Z"
+    }
    },
    "outputs": [],
    "execution_count": null
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf = load_workflow_json(file_name=workflow_json_filename)",
+   "id": "5b442611457aa5a8"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))",
+   "id": "2ca33c8590a54866"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.run()",
+   "id": "d36522a1c315b7f5"
   }
  ]
 }