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Fix load_profile and remove upterm
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‎.github/workflows/aiida.yml‎

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@@ -25,11 +25,6 @@ jobs:
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pip install -e python_workflow_definition
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conda install -c conda-forge jupyter papermill
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verdi presto --profile-name adis
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# Add Upterm for SSH access
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- name: Setup upterm session
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uses: lhotari/action-upterm@v1
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# This is optional - you can make it conditional:
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if: ${{ failure() || github.event_name == 'workflow_dispatch' }}
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- name: Tests
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shell: bash -l {0}
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run: |

‎jobflow_to_aiida_simple.ipynb‎

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"cells": [
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{
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"id": "000bbd4a-f53c-4eea-9d85-76f0aa2ca10b",
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"metadata": {
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"trusted": true
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},
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"outputs": [],
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"outputs": [
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{
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"text": [
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"/home/geiger_j/.aiida_venvs/adis/lib/python3.10/site-packages/paramiko/pkey.py:82: CryptographyDeprecationWarning: TripleDES has been moved to cryptography.hazmat.decrepit.ciphers.algorithms.TripleDES and will be removed from this module in 48.0.0.\n",
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" \"cipher\": algorithms.TripleDES,\n",
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"/home/geiger_j/.aiida_venvs/adis/lib/python3.10/site-packages/paramiko/transport.py:253: CryptographyDeprecationWarning: TripleDES has been moved to cryptography.hazmat.decrepit.ciphers.algorithms.TripleDES and will be removed from this module in 48.0.0.\n",
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" \"class\": algorithms.TripleDES,\n"
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]
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},
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{
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"data": {
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"text/plain": [
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"Profile<uuid='d106cde233334800a702a20040a6b629' name='adis'>"
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]
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},
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"execution_count": 1,
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"metadata": {},
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"output_type": "execute_result"
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}
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],
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"source": [
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"from jobflow import job, Flow"
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"from aiida import load_profile\n",
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"from jobflow import job, Flow\n",
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"\n",
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"load_profile()"
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]
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},
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{
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{
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{
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{
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"data": {
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"application/vnd.jupyter.widget-view+json": {
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"model_id": "6d262da7512d4dd5b25be162da9f2e41",
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"model_id": "40090008ae2942cebbc0a5d428c25f97",
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"version_major": 2,
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"NodeGraphWidget(settings={'minimap': True}, style={'width': '90%', 'height': '600px'}, value={'name': 'WorkGra…"
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"03/17/2025 10:49:39 AM <4010610> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [8551|WorkGraphEngine|continue_workgraph]: tasks ready to run: 2,3\n",
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"03/17/2025 10:49:39 AM <4010610> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [8551|WorkGraphEngine|run_tasks]: Run task: 2, type: Normal\n",
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"03/17/2025 10:49:39 AM <4010610> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [8551|WorkGraphEngine|update_normal_task_state]: Task: 2 finished.\n",
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"03/17/2025 10:49:39 AM <4010610> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [8551|WorkGraphEngine|continue_workgraph]: tasks ready to run: 3\n",
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"03/17/2025 10:49:39 AM <4010610> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [8551|WorkGraphEngine|continue_workgraph]: Continue workgraph.\n"
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"03/21/2025 12:32:04 PM <3689673> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [12737|WorkGraphEngine|continue_workgraph]: Continue workgraph.\n",
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"03/21/2025 12:32:04 PM <3689673> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [12737|WorkGraphEngine|continue_workgraph]: tasks ready to run: pickle_node3,pickle_node4\n",
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"03/21/2025 12:32:04 PM <3689673> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [12737|WorkGraphEngine|run_tasks]: Run task: pickle_node3, type: PYTHONJOB\n"
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"03/17/2025 10:49:39 AM <4010610> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [8551|WorkGraphEngine|continue_workgraph]: tasks ready to run: add_x_and_y\n",
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"03/17/2025 10:49:39 AM <4010610> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [8551|WorkGraphEngine|run_tasks]: Run task: add_x_and_y, type: PYTHONJOB\n"
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"03/21/2025 12:32:04 PM <3689673> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [12737|WorkGraphEngine|run_tasks]: Run task: pickle_node4, type: PYTHONJOB\n"
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"03/21/2025 12:32:09 PM <3689673> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [12737|WorkGraphEngine|run_tasks]: Run task: add_x_and_y1, type: PYTHONJOB\n"
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"kwargs: {'register_pickle_by_value': True, 'x': <Int: uuid: 641fb31a-ade5-4268-8792-60467c4fb196 (pk: 8564) value: 1>, 'y': <Int: uuid: f9fb98d9-4800-445e-a386-73b3bd64d49f (pk: 8565) value: 2>, 'z': <Int: uuid: 11c56b8d-25d3-4c30-9afa-1f0bbfca15a3 (pk: 8566) value: 3>}\n"
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"kwargs: {'register_pickle_by_value': True, 'x': <Int: uuid: cf353d09-ae92-439a-8c97-df9bf2eef4f0 (pk: 12760) value: 1>, 'y': <Int: uuid: cc43a896-0154-4ef1-bf8f-84a8a3f7c823 (pk: 12761) value: 2>}\n"
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"03/21/2025 12:32:12 PM <3689673> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [12737|WorkGraphEngine|update_task_state]: Task: add_x_and_y1 finished.\n",
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"03/21/2025 12:32:13 PM <3689673> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [12737|WorkGraphEngine|continue_workgraph]: Continue workgraph.\n",
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"------------------------------------------------------------\n",
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"kwargs: {'register_pickle_by_value': True, 'x': <Int: uuid: 4b83d6e4-3182-4c73-afa6-0e4be3f4664d (pk: 12772) value: 1>, 'y': <Int: uuid: 3f731a30-ff61-4570-a1b5-f5eae65353ce (pk: 12773) value: 2>, 'z': <Int: uuid: 7943fabc-e035-4079-90c6-7e0738b43817 (pk: 12774) value: 3>}\n"
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‎universal_qe_to_jobflow.ipynb‎

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