update notebooks for other workflow frameworks

Author: jan-janssen

example_workflows/nfdi/aiida.ipynb

@@ -355,6 +355,44 @@
     }
    ],
    "execution_count": 24
+  },
+  {
+   "metadata": {},
+   "cell_type": "markdown",
+   "source": "## Load Workflow with pyiron_workflow",
+   "id": "afaf2bc0b3a491ca"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "from python_workflow_definition.pyiron_workflow import load_workflow_json",
+   "id": "6172b410eb776fc4"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf = load_workflow_json(file_name=workflow_json_filename)",
+   "id": "668fe64b18b4d604"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))",
+   "id": "8c4fd72394841ffa"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.run()",
+   "id": "c1427e3ce0716f64"
   }
  ]
 }

example_workflows/nfdi/jobflow.ipynb

@@ -327,6 +327,44 @@
     }
    ],
    "execution_count": 22
+  },
+  {
+   "metadata": {},
+   "cell_type": "markdown",
+   "source": "## Load Workflow with pyiron_workflow",
+   "id": "8e73fa07cebd7b72"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "from python_workflow_definition.pyiron_workflow import load_workflow_json",
+   "id": "aa99fbd94b03a869"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf = load_workflow_json(file_name=workflow_json_filename)",
+   "id": "728b8684fee475b5"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))",
+   "id": "7b814f0f74f0b15a"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.run()",
+   "id": "447506cdca5080e6"
   }
  ]
 }

example_workflows/nfdi/pyiron_base.ipynb

@@ -312,6 +312,44 @@
     }
    ],
    "execution_count": 22
+  },
+  {
+   "metadata": {},
+   "cell_type": "markdown",
+   "source": "## Load Workflow with pyiron_workflow",
+   "id": "385acbf585763632"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "from python_workflow_definition.pyiron_workflow import load_workflow_json",
+   "id": "927d0118cc4edfba"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf = load_workflow_json(file_name=workflow_json_filename)",
+   "id": "50055483ca2c9909"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))",
+   "id": "7d25a578c431e0f5"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.run()",
+   "id": "fff9513c4a127a96"
   }
  ]
 }

example_workflows/quantum_espresso/aiida.ipynb

@@ -462,13 +462,37 @@
    "execution_count": 25
   },
   {
+   "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)"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))"
+  },
+  {
+   "metadata": {},
    "cell_type": "code",
-   "source": "",
-   "metadata": {
-    "trusted": true
-   },
    "outputs": [],
-   "execution_count": null
+   "execution_count": null,
+   "source": "wf.run()"
   }
  ]
 }

example_workflows/quantum_espresso/jobflow.ipynb

@@ -444,13 +444,37 @@
    "execution_count": 25
   },
   {
+   "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)"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))"
+  },
+  {
+   "metadata": {},
    "cell_type": "code",
-   "source": "",
-   "metadata": {
-    "trusted": true
-   },
    "outputs": [],
-   "execution_count": null
+   "execution_count": null,
+   "source": "wf.run()"
   }
  ]
 }

example_workflows/quantum_espresso/pyiron_base.ipynb

@@ -382,6 +382,44 @@
     }
    ],
    "execution_count": 22
+  },
+  {
+   "metadata": {},
+   "cell_type": "markdown",
+   "source": "## Load Workflow with pyiron_workflow",
+   "id": "406b0429e65b9760"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "from python_workflow_definition.pyiron_workflow import load_workflow_json",
+   "id": "1b45a453f593202f"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf = load_workflow_json(file_name=workflow_json_filename)",
+   "id": "97ef39ae859855ab"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.draw(size=(10,10))",
+   "id": "4368c6921b71e396"
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
+   "outputs": [],
+   "execution_count": null,
+   "source": "wf.run()",
+   "id": "b9130e7566a72f27"
   }
  ]
 }