diff --git a/aiida_nfdi.ipynb b/aiida_nfdi.ipynb index 4f54e4f..4c4aeef 100644 --- a/aiida_nfdi.ipynb +++ b/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": "
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