Update pyiron_workflow and executorlib (#189)

* Update pyiron_base, pyiron_workflow and executorlib

* Update networkx version to 3.6.1

* Downgrade pydantic version to 2.12.5

* Update environment.yml

* Use legacy backend

* update notebooks

* more updates

* downgrade pydantic

Author: jan-janssen

binder/environment.yml

@@ -3,15 +3,15 @@ channels:
 dependencies:
 - python =3.12
 - click =8.1.8
-- pydantic =2.13.4
-- hatchling =1.28.0
+- pydantic =2.12.5
+- hatchling =1.31.0
 - hatch-vcs =0.5.0
 - jobflow =0.3.1
-- executorlib =1.7.4
-- pyiron_base =0.15.15
-- pyiron_workflow =0.15.5
+- executorlib =1.10.1
+- pyiron_base =0.15.16
+- pyiron_workflow =0.18.0
 - pygraphviz =1.14
 - aiida-workgraph =0.8.1
 - conda_subprocess =0.0.12
-- networkx =3.4.2
+- networkx =3.6.1
 - cwltool =3.2.20260413085819

example_workflows/arithmetic/pyiron_workflow.ipynb

@@ -29,7 +29,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from pyiron_workflow import Workflow, to_function_node"
+    "from pyiron_workflow._legacy import Workflow, to_function_node"
    ]
   },
   {
@@ -913,4 +913,4 @@
  },
  "nbformat": 4,
  "nbformat_minor": 5
-}
+}

example_workflows/nfdi/pyiron_workflow.ipynb

@@ -56,7 +56,7 @@
   {
    "id": "2dced28725813fc1",
    "cell_type": "code",
-   "source": "from pyiron_workflow import Workflow, to_function_node\n\nfrom python_workflow_definition.pyiron_workflow import write_workflow_json",
+   "source": "from pyiron_workflow._legacy import Workflow, to_function_node\n\nfrom python_workflow_definition.pyiron_workflow import write_workflow_json",
    "metadata": {
     "trusted": true
    },
@@ -425,4 +425,4 @@
    "execution_count": null
   }
  ]
-}
+}

example_workflows/quantum_espresso/pyiron_workflow.ipynb

@@ -17,8 +17,8 @@
    "source": [
     "from inspect import isfunction\n",
     "import numpy as np\n",
-    "from pyiron_workflow import Workflow, to_function_node, as_function_node\n",
-    "from pyiron_workflow.api import inputs_to_dict\n",
+    "from pyiron_workflow._legacy import Workflow, to_function_node, as_function_node\n",
+    "from pyiron_workflow._legacy.api import inputs_to_dict\n",
     "from python_workflow_definition.pyiron_workflow import write_workflow_json"
    ]
   },
@@ -6039,4 +6039,4 @@
  },
  "nbformat": 4,
  "nbformat_minor": 5
-}
+}

pyproject.toml

@@ -28,13 +28,13 @@ jobflow = [
     "jobflow>=0.1.18,<=0.3.1",
 ]
 pyiron = [
-    "pyiron_base>=0.11.10,<=0.15.12",
+    "pyiron_base>=0.11.10,<=0.15.16",
 ]
 pyiron_workflow = [
-    "pyiron_workflow>=0.13.0,<=0.15.5",
+    "pyiron_workflow>=0.13.0,<=0.18.0",
 ]
 executorlib = [
-    "executorlib>=1.7.4,<=1.9.1",
+    "executorlib>=1.7.4,<=1.10.1",
 ]
 plot = [
     "pygraphviz>=1.10,<=1.14",

src/python_workflow_definition/pyiron_workflow.py

@@ -4,8 +4,8 @@
 from typing import Any
 
 import numpy as np
-from pyiron_workflow import Workflow, function_node
-from pyiron_workflow.api import Function
+from pyiron_workflow._legacy import Workflow, function_node
+from pyiron_workflow._legacy.api import Function
 
 from python_workflow_definition.models import PythonWorkflowDefinitionWorkflow
 from python_workflow_definition.shared import (

tests/test_pyiron_workflow.py

@@ -2,7 +2,7 @@
 import os
 import sys
 import unittest
-from pyiron_workflow import Workflow, to_function_node
+from pyiron_workflow._legacy import Workflow, to_function_node
 from python_workflow_definition.pyiron_workflow import load_workflow_json, write_workflow_json
 
 function_str = """