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| 1 | +from python_workflow_definition.aiida import write_workflow_json, load_workflow_json, load_workflow_json_nested |
| 2 | + |
| 3 | +from aiida_workgraph import WorkGraph, task |
| 4 | +from aiida import orm, load_profile |
| 5 | + |
| 6 | +load_profile() |
| 7 | + |
| 8 | +workflow_json_filename = "main.pwd.json" |
| 9 | + |
| 10 | + |
| 11 | +# In[2]: |
| 12 | + |
| 13 | + |
| 14 | +from workflow import ( |
| 15 | + get_sum as _get_sum, |
| 16 | + get_prod_and_div as _get_prod_and_div, |
| 17 | + get_square as _get_square, |
| 18 | +) |
| 19 | + |
| 20 | + |
| 21 | +# wg = WorkGraph("nested") |
| 22 | + |
| 23 | + |
| 24 | +# In[4]: |
| 25 | + |
| 26 | +wg = load_workflow_json_nested(workflow_json_filename) |
| 27 | +wg.to_html() |
| 28 | + |
| 29 | +breakpoint() |
| 30 | + |
| 31 | +pass |
| 32 | + |
| 33 | +wg.run() |
| 34 | + |
| 35 | +# |
| 36 | +# |
| 37 | +# get_prod_and_div_task = wg.add_task( |
| 38 | +# task(outputs=["prod", "div"])(_get_prod_and_div), |
| 39 | +# x=orm.Float(1), |
| 40 | +# y=orm.Float(2), |
| 41 | +# ) |
| 42 | +# |
| 43 | +# |
| 44 | +# # In[5]: |
| 45 | +# |
| 46 | +# |
| 47 | +# get_sum_task = wg.add_task( |
| 48 | +# _get_sum, |
| 49 | +# x=get_prod_and_div_task.outputs.prod, |
| 50 | +# y=get_prod_and_div_task.outputs.div, |
| 51 | +# ) |
| 52 | +# |
| 53 | +# |
| 54 | +# # In[6]: |
| 55 | +# |
| 56 | +# |
| 57 | +# get_square_task = wg.add_task( |
| 58 | +# _get_square, |
| 59 | +# x=get_sum_task.outputs.result, |
| 60 | +# ) |
| 61 | +# |
| 62 | +# |
| 63 | +# # In[7]: |
| 64 | +# |
| 65 | +# |
| 66 | +# write_workflow_json(wg=wg, file_name=workflow_json_filename) |
| 67 | +# |
| 68 | +# |
| 69 | +# # In[8]: |
| 70 | +# |
| 71 | +# |
| 72 | +# get_ipython().system("cat {workflow_json_filename}") |
| 73 | +# |
| 74 | +# |
| 75 | +# # ## Load Workflow with jobflow |
| 76 | +# |
| 77 | +# # In[9]: |
| 78 | +# |
| 79 | +# |
| 80 | +# from python_workflow_definition.jobflow import load_workflow_json |
| 81 | +# |
| 82 | +# |
| 83 | +# # In[10]: |
| 84 | +# |
| 85 | +# |
| 86 | +# from jobflow.managers.local import run_locally |
| 87 | +# |
| 88 | +# |
| 89 | +# # In[11]: |
| 90 | +# |
| 91 | +# |
| 92 | +# flow = load_workflow_json(file_name=workflow_json_filename) |
| 93 | +# |
| 94 | +# |
| 95 | +# # In[12]: |
| 96 | +# |
| 97 | +# |
| 98 | +# result = run_locally(flow) |
| 99 | +# result |
| 100 | +# |
| 101 | +# |
| 102 | +# # ## Load Workflow with pyiron_base |
| 103 | +# |
| 104 | +# # In[13]: |
| 105 | +# |
| 106 | +# |
| 107 | +# from python_workflow_definition.pyiron_base import load_workflow_json |
| 108 | +# |
| 109 | +# |
| 110 | +# # In[14]: |
| 111 | +# |
| 112 | +# |
| 113 | +# delayed_object_lst = load_workflow_json(file_name=workflow_json_filename) |
| 114 | +# delayed_object_lst[-1].draw() |
| 115 | +# |
| 116 | +# |
| 117 | +# # In[15]: |
| 118 | +# |
| 119 | +# |
| 120 | +# delayed_object_lst[-1].pull() |
| 121 | +# |
| 122 | +# |
| 123 | +# # ## Load Workflow with pyiron_workflow |
| 124 | +# |
| 125 | +# # In[ ]: |
| 126 | +# |
| 127 | +# |
| 128 | +# from python_workflow_definition.pyiron_workflow import load_workflow_json |
| 129 | +# |
| 130 | +# |
| 131 | +# # In[ ]: |
| 132 | +# |
| 133 | +# |
| 134 | +# wf = load_workflow_json(file_name=workflow_json_filename) |
| 135 | +# |
| 136 | +# |
| 137 | +# # In[ ]: |
| 138 | +# |
| 139 | +# |
| 140 | +# wf.draw(size=(10, 10)) |
| 141 | +# |
| 142 | +# |
| 143 | +# # In[ ]: |
| 144 | +# |
| 145 | +# |
| 146 | +# wf.run() |
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