pyiron: set local folder as default project (#67)

* pyiron: set local folder as default project

* Update pyiron_base.py

* Update pyiron_base.py

Author: jan-janssen

aiida_nfdi.ipynb

@@ -298,16 +298,6 @@
    "source": "## Load Workflow with pyiron_base",
    "metadata": {}
   },
-  {
-   "id": "fdde6b82-b51d-434a-a9a8-5a8c31bbb429",
-   "cell_type": "code",
-   "source": "from pyiron_base import Project",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [],
-   "execution_count": 20
-  },
   {
    "id": "be4d5d93-e9f6-4072-a6be-0ee5dc93590f",
    "cell_type": "code",
@@ -318,34 +308,11 @@
    "outputs": [],
    "execution_count": 21
   },
-  {
-   "id": "4db75587-5f4c-416d-a1f6-c949077fa2ca",
-   "cell_type": "code",
-   "source": "pr = Project(\"test\")\npr.remove_jobs(recursive=True, silently=True)",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [
-    {
-     "output_type": "display_data",
-     "data": {
-      "text/plain": "0it [00:00, ?it/s]",
-      "application/vnd.jupyter.widget-view+json": {
-       "version_major": 2,
-       "version_minor": 0,
-       "model_id": "744782e84c574359874689c2242fb2d8"
-      }
-     },
-     "metadata": {}
-    }
-   ],
-   "execution_count": 22
-  },
   {
    "id": "4452a648-d4c3-4f5f-8678-ffb54bef17dc",
    "cell_type": "code",
    "source": [
-    "delayed_object_lst = load_workflow_json(project=pr, file_name=workflow_json_filename)\n",
+    "delayed_object_lst = load_workflow_json(file_name=workflow_json_filename)\n",
     "delayed_object_lst[-1].draw()"
    ],
    "metadata": {
@@ -386,26 +353,6 @@
     }
    ],
    "execution_count": 24
-  },
-  {
-   "id": "b3bba27e-ece9-4c02-834c-53e69844b140",
-   "cell_type": "code",
-   "source": "pr.job_table()",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [
-    {
-     "execution_count": 25,
-     "output_type": "execute_result",
-     "data": {
-      "text/plain": "   id    status chemicalformula  \\\n0   1  finished            None   \n1   2  finished            None   \n2   3  finished            None   \n3   4  finished            None   \n4   5  finished            None   \n5   6  finished            None   \n\n                                                  job  \\\n0      generate_mesh_0b48cf5155cd6802c17d20bb58104132   \n1    convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43   \n2            poisson_a0224b23ceb2119d105a5d98ef37f93e   \n3     plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b   \n4  substitute_macros_874fc185ecec04b4cb9537c58b7efb7b   \n5      compile_paper_3cee534ffe692833d37faf1fd2170cb6   \n\n                                                subjob projectpath  \\\n0      /generate_mesh_0b48cf5155cd6802c17d20bb58104132        None   \n1    /convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43        None   \n2            /poisson_a0224b23ceb2119d105a5d98ef37f93e        None   \n3     /plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b        None   \n4  /substitute_macros_874fc185ecec04b4cb9537c58b7efb7b        None   \n5      /compile_paper_3cee534ffe692833d37faf1fd2170cb6        None   \n\n              project                  timestart timestop totalcputime  \\\n0  /home/jovyan/test/ 2025-04-12 11:32:18.725836     None         None   \n1  /home/jovyan/test/ 2025-04-12 11:32:21.567671     None         None   \n2  /home/jovyan/test/ 2025-04-12 11:32:24.772144     None         None   \n3  /home/jovyan/test/ 2025-04-12 11:32:30.023925     None         None   \n4  /home/jovyan/test/ 2025-04-12 11:32:34.237777     None         None   \n5  /home/jovyan/test/ 2025-04-12 11:32:36.156992     None         None   \n\n                                                    computer  \\\n0  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n1  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n2  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n3  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n4  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n5  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n\n                     hamilton hamversion parentid masterid  \n0  PythonFunctionContainerJob        0.4     None     None  \n1  PythonFunctionContainerJob        0.4     None     None  \n2  PythonFunctionContainerJob        0.4     None     None  \n3  PythonFunctionContainerJob        0.4     None     None  \n4  PythonFunctionContainerJob        0.4     None     None  \n5  PythonFunctionContainerJob        0.4     None     None  ",
-      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>id</th>\n      <th>status</th>\n      <th>chemicalformula</th>\n      <th>job</th>\n      <th>subjob</th>\n      <th>projectpath</th>\n      <th>project</th>\n      <th>timestart</th>\n      <th>timestop</th>\n      <th>totalcputime</th>\n      <th>computer</th>\n      <th>hamilton</th>\n      <th>hamversion</th>\n      <th>parentid</th>\n      <th>masterid</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>1</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>generate_mesh_0b48cf5155cd6802c17d20bb58104132</td>\n      <td>/generate_mesh_0b48cf5155cd6802c17d20bb58104132</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:32:18.725836</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>2</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43</td>\n      <td>/convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:32:21.567671</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>3</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>poisson_a0224b23ceb2119d105a5d98ef37f93e</td>\n      <td>/poisson_a0224b23ceb2119d105a5d98ef37f93e</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:32:24.772144</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>4</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b</td>\n      <td>/plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:32:30.023925</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>5</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>substitute_macros_874fc185ecec04b4cb9537c58b7efb7b</td>\n      <td>/substitute_macros_874fc185ecec04b4cb9537c58b7efb7b</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:32:34.237777</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>5</th>\n      <td>6</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>compile_paper_3cee534ffe692833d37faf1fd2170cb6</td>\n      <td>/compile_paper_3cee534ffe692833d37faf1fd2170cb6</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:32:36.156992</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n  </tbody>\n</table>\n</div>"
-     },
-     "metadata": {}
-    }
-   ],
-   "execution_count": 25
   }
  ]
 }

aiida_qe.ipynb

@@ -348,15 +348,6 @@
    "source": "## Load Workflow with pyiron_base",
    "metadata": {}
   },
-  {
-   "cell_type": "code",
-   "source": "from pyiron_base import Project",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [],
-   "execution_count": 22
-  },
   {
    "cell_type": "code",
    "source": "from python_workflow_definition.pyiron_base import load_workflow_json",
@@ -368,29 +359,10 @@
   },
   {
    "cell_type": "code",
-   "source": "pr = Project(\"test\")\npr.remove_jobs(recursive=True, silently=True)",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [
-    {
-     "output_type": "display_data",
-     "data": {
-      "text/plain": "0it [00:00, ?it/s]",
-      "application/vnd.jupyter.widget-view+json": {
-       "version_major": 2,
-       "version_minor": 0,
-       "model_id": "682a9c9d86fb4bc4823cd8112c5ffdf4"
-      }
-     },
-     "metadata": {}
-    }
+   "source": [
+    "delayed_object_lst = load_workflow_json(file_name=workflow_json_filename)\n",
+    "delayed_object_lst[-1].draw()"
    ],
-   "execution_count": 24
-  },
-  {
-   "cell_type": "code",
-   "source": "delayed_object_lst = load_workflow_json(project=pr, file_name=workflow_json_filename)\ndelayed_object_lst[-1].draw()",
    "metadata": {
     "trusted": true
    },

aiida_simple.ipynb

@@ -175,15 +175,6 @@
    "source": "## Load Workflow with pyiron_base",
    "metadata": {}
   },
-  {
-   "cell_type": "code",
-   "source": "from pyiron_base import Project",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [],
-   "execution_count": 12
-  },
   {
    "cell_type": "code",
    "source": "from python_workflow_definition.pyiron_base import load_workflow_json",
@@ -193,32 +184,10 @@
    "outputs": [],
    "execution_count": 13
   },
-  {
-   "cell_type": "code",
-   "source": "pr = Project(\"test\")\npr.remove_jobs(recursive=True, silently=True)",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [
-    {
-     "output_type": "display_data",
-     "data": {
-      "text/plain": "0it [00:00, ?it/s]",
-      "application/vnd.jupyter.widget-view+json": {
-       "version_major": 2,
-       "version_minor": 0,
-       "model_id": "1cebe3e991ff4d8aacbea78a858011fb"
-      }
-     },
-     "metadata": {}
-    }
-   ],
-   "execution_count": 14
-  },
   {
    "cell_type": "code",
    "source": [
-    "delayed_object_lst = load_workflow_json(project=pr, file_name=workflow_json_filename)\n",
+    "delayed_object_lst = load_workflow_json(file_name=workflow_json_filename)\n",
     "delayed_object_lst[-1].draw()"
    ],
    "metadata": {

jobflow_nfdi.ipynb

@@ -261,16 +261,6 @@
    "source": "## Load Workflow with pyiron_base",
    "metadata": {}
   },
-  {
-   "id": "fdde6b82-b51d-434a-a9a8-5a8c31bbb429",
-   "cell_type": "code",
-   "source": "from pyiron_base import Project",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [],
-   "execution_count": 18
-  },
   {
    "id": "be4d5d93-e9f6-4072-a6be-0ee5dc93590f",
    "cell_type": "code",
@@ -281,34 +271,11 @@
    "outputs": [],
    "execution_count": 19
   },
-  {
-   "id": "4db75587-5f4c-416d-a1f6-c949077fa2ca",
-   "cell_type": "code",
-   "source": "pr = Project(\"test\")\npr.remove_jobs(recursive=True, silently=True)",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [
-    {
-     "output_type": "display_data",
-     "data": {
-      "text/plain": "0it [00:00, ?it/s]",
-      "application/vnd.jupyter.widget-view+json": {
-       "version_major": 2,
-       "version_minor": 0,
-       "model_id": "9a6ea2489a6847ab8375930b499b9a7f"
-      }
-     },
-     "metadata": {}
-    }
-   ],
-   "execution_count": 20
-  },
   {
    "id": "4452a648-d4c3-4f5f-8678-ffb54bef17dc",
    "cell_type": "code",
    "source": [
-    "delayed_object_lst = load_workflow_json(project=pr, file_name=workflow_json_filename)\n",
+    "delayed_object_lst = load_workflow_json(file_name=workflow_json_filename)\n",
     "delayed_object_lst[-1].draw()"
    ],
    "metadata": {
@@ -349,26 +316,6 @@
     }
    ],
    "execution_count": 22
-  },
-  {
-   "id": "b3bba27e-ece9-4c02-834c-53e69844b140",
-   "cell_type": "code",
-   "source": "pr.job_table()",
-   "metadata": {
-    "trusted": true
-   },
-   "outputs": [
-    {
-     "execution_count": 23,
-     "output_type": "execute_result",
-     "data": {
-      "text/plain": "   id    status chemicalformula  \\\n0   1  finished            None   \n1   2  finished            None   \n2   3  finished            None   \n3   4  finished            None   \n4   5  finished            None   \n5   6  finished            None   \n\n                                                  job  \\\n0      generate_mesh_0b48cf5155cd6802c17d20bb58104132   \n1    convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43   \n2            poisson_a0224b23ceb2119d105a5d98ef37f93e   \n3     plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b   \n4  substitute_macros_874fc185ecec04b4cb9537c58b7efb7b   \n5      compile_paper_3cee534ffe692833d37faf1fd2170cb6   \n\n                                                subjob projectpath  \\\n0      /generate_mesh_0b48cf5155cd6802c17d20bb58104132        None   \n1    /convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43        None   \n2            /poisson_a0224b23ceb2119d105a5d98ef37f93e        None   \n3     /plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b        None   \n4  /substitute_macros_874fc185ecec04b4cb9537c58b7efb7b        None   \n5      /compile_paper_3cee534ffe692833d37faf1fd2170cb6        None   \n\n              project                  timestart timestop totalcputime  \\\n0  /home/jovyan/test/ 2025-04-12 11:33:56.439299     None         None   \n1  /home/jovyan/test/ 2025-04-12 11:33:59.335257     None         None   \n2  /home/jovyan/test/ 2025-04-12 11:34:02.548200     None         None   \n3  /home/jovyan/test/ 2025-04-12 11:34:07.792544     None         None   \n4  /home/jovyan/test/ 2025-04-12 11:34:12.093499     None         None   \n5  /home/jovyan/test/ 2025-04-12 11:34:14.126943     None         None   \n\n                                                    computer  \\\n0  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n1  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n2  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n3  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n4  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n5  pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1   \n\n                     hamilton hamversion parentid masterid  \n0  PythonFunctionContainerJob        0.4     None     None  \n1  PythonFunctionContainerJob        0.4     None     None  \n2  PythonFunctionContainerJob        0.4     None     None  \n3  PythonFunctionContainerJob        0.4     None     None  \n4  PythonFunctionContainerJob        0.4     None     None  \n5  PythonFunctionContainerJob        0.4     None     None  ",
-      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>id</th>\n      <th>status</th>\n      <th>chemicalformula</th>\n      <th>job</th>\n      <th>subjob</th>\n      <th>projectpath</th>\n      <th>project</th>\n      <th>timestart</th>\n      <th>timestop</th>\n      <th>totalcputime</th>\n      <th>computer</th>\n      <th>hamilton</th>\n      <th>hamversion</th>\n      <th>parentid</th>\n      <th>masterid</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>1</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>generate_mesh_0b48cf5155cd6802c17d20bb58104132</td>\n      <td>/generate_mesh_0b48cf5155cd6802c17d20bb58104132</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:33:56.439299</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>2</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43</td>\n      <td>/convert_to_xdmf_29ad6ec6927268429dc9aef8166fde43</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:33:59.335257</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>3</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>poisson_a0224b23ceb2119d105a5d98ef37f93e</td>\n      <td>/poisson_a0224b23ceb2119d105a5d98ef37f93e</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:34:02.548200</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>4</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b</td>\n      <td>/plot_over_line_82b37a42e0747f11d9a7f6318f63ac6b</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:34:07.792544</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>5</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>substitute_macros_874fc185ecec04b4cb9537c58b7efb7b</td>\n      <td>/substitute_macros_874fc185ecec04b4cb9537c58b7efb7b</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:34:12.093499</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n    <tr>\n      <th>5</th>\n      <td>6</td>\n      <td>finished</td>\n      <td>None</td>\n      <td>compile_paper_3cee534ffe692833d37faf1fd2170cb6</td>\n      <td>/compile_paper_3cee534ffe692833d37faf1fd2170cb6</td>\n      <td>None</td>\n      <td>/home/jovyan/test/</td>\n      <td>2025-04-12 11:34:14.126943</td>\n      <td>None</td>\n      <td>None</td>\n      <td>pyiron@jupyter-pyiron-dev-pyth-flow-definition-a8grxfsa#1</td>\n      <td>PythonFunctionContainerJob</td>\n      <td>0.4</td>\n      <td>None</td>\n      <td>None</td>\n    </tr>\n  </tbody>\n</table>\n</div>"
-     },
-     "metadata": {}
-    }
-   ],
-   "execution_count": 23
   }
  ]
 }