simstack 2.0.1__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (354) hide show
  1. simstack/__init__.py +0 -0
  2. simstack/_version.py +24 -0
  3. simstack/core/__init__.py +0 -0
  4. simstack/core/artifacts.py +406 -0
  5. simstack/core/asnyc_helper.py +14 -0
  6. simstack/core/config_file.py +60 -0
  7. simstack/core/context.py +283 -0
  8. simstack/core/definitions.py +22 -0
  9. simstack/core/engine.py +115 -0
  10. simstack/core/find_simstack_modules.py +41 -0
  11. simstack/core/hash.py +179 -0
  12. simstack/core/node.py +1137 -0
  13. simstack/core/node_claim.py +31 -0
  14. simstack/core/node_runner.py +362 -0
  15. simstack/core/process_results.py +102 -0
  16. simstack/core/recompute_artifacts.py +117 -0
  17. simstack/core/reset_db.py +12 -0
  18. simstack/core/resource_assignment.py +222 -0
  19. simstack/core/resources.py +90 -0
  20. simstack/core/route_table.py +24 -0
  21. simstack/core/run_docker.py +109 -0
  22. simstack/core/run_node.py +71 -0
  23. simstack/core/runner.py +169 -0
  24. simstack/core/services/__init__.py +11 -0
  25. simstack/core/services/base_service.py +191 -0
  26. simstack/core/services/file_transfer_service.py +117 -0
  27. simstack/core/services/git_restart_service.py +12 -0
  28. simstack/core/services/git_uv_update_service.py +105 -0
  29. simstack/core/services/node_execution_service.py +182 -0
  30. simstack/core/services/resource_branch_monitor_service.py +71 -0
  31. simstack/core/services/runner_cleanup_service.py +149 -0
  32. simstack/core/services/runner_manager.py +163 -0
  33. simstack/core/services/runner_status_service.py +10 -0
  34. simstack/core/services/slurm_status_service.py +67 -0
  35. simstack/core/services/stop_check_service.py +27 -0
  36. simstack/core/services/timeout_restart_service.py +26 -0
  37. simstack/core/simstack_result.py +39 -0
  38. simstack/core/submit_node.py +217 -0
  39. simstack/core/task_id.py +22 -0
  40. simstack/methods/__init__.py +0 -0
  41. simstack/methods/archive_files.py +292 -0
  42. simstack/methods/fire_and_forget_runner.py +113 -0
  43. simstack/methods/generate_test.py +125 -0
  44. simstack/methods/get_file.py +26 -0
  45. simstack/methods/mass_runner.py +154 -0
  46. simstack/methods/multiple_executor.py +307 -0
  47. simstack/methods/switch_git.py +16 -0
  48. simstack/methods/upload_helpers.py +81 -0
  49. simstack/models/__init__.py +74 -0
  50. simstack/models/array_list.py +21 -0
  51. simstack/models/array_storage.py +83 -0
  52. simstack/models/artifact_models.py +127 -0
  53. simstack/models/base_lists.py +51 -0
  54. simstack/models/base_types.py +209 -0
  55. simstack/models/charts_artifact.py +690 -0
  56. simstack/models/dataset.py +451 -0
  57. simstack/models/dataset_metadata.py +390 -0
  58. simstack/models/datasettuple.py +587 -0
  59. simstack/models/file_instance.py +150 -0
  60. simstack/models/file_list.py +45 -0
  61. simstack/models/files.py +424 -0
  62. simstack/models/fire_and_forget_result.py +19 -0
  63. simstack/models/images2d.py +113 -0
  64. simstack/models/log_entry_model.py +37 -0
  65. simstack/models/models.py +52 -0
  66. simstack/models/named_data_reference.py +36 -0
  67. simstack/models/node_registry.py +96 -0
  68. simstack/models/pandas_model.py +239 -0
  69. simstack/models/parameters.py +402 -0
  70. simstack/models/pickle_models.py +300 -0
  71. simstack/models/project.py +13 -0
  72. simstack/models/resource_assignment.py +170 -0
  73. simstack/models/resource_definition.py +125 -0
  74. simstack/models/runner_model.py +39 -0
  75. simstack/models/simple_table.py +79 -0
  76. simstack/models/simstack_model.py +97 -0
  77. simstack/models/slurm_info.py +17 -0
  78. simstack/models/table_artifact.py +87 -0
  79. simstack/models/tag.py +12 -0
  80. simstack/models/unused_test_file.py +5 -0
  81. simstack/simstack_marker.com +1 -0
  82. simstack/static/docs/.buildinfo +4 -0
  83. simstack/static/docs/_images/GUI Concept.webp +0 -0
  84. simstack/static/docs/_modules/index.html +434 -0
  85. simstack/static/docs/_modules/simstack/core/artifacts.html +743 -0
  86. simstack/static/docs/_modules/simstack/core/asnyc_helper.html +330 -0
  87. simstack/static/docs/_modules/simstack/core/config_file.html +379 -0
  88. simstack/static/docs/_modules/simstack/core/definitions.html +341 -0
  89. simstack/static/docs/_modules/simstack/core/engine.html +437 -0
  90. simstack/static/docs/_modules/simstack/core/find_simstack_modules.html +360 -0
  91. simstack/static/docs/_modules/simstack/core/hash.html +528 -0
  92. simstack/static/docs/_modules/simstack/core/node.html +1392 -0
  93. simstack/static/docs/_modules/simstack/core/node_claim.html +347 -0
  94. simstack/static/docs/_modules/simstack/core/node_runner.html +711 -0
  95. simstack/static/docs/_modules/simstack/core/process_results.html +418 -0
  96. simstack/static/docs/_modules/simstack/core/recompute_artifacts.html +433 -0
  97. simstack/static/docs/_modules/simstack/core/reset_db.html +328 -0
  98. simstack/static/docs/_modules/simstack/core/resource_assignment.html +553 -0
  99. simstack/static/docs/_modules/simstack/core/resources.html +424 -0
  100. simstack/static/docs/_modules/simstack/core/route_table.html +349 -0
  101. simstack/static/docs/_modules/simstack/core/run_docker.html +425 -0
  102. simstack/static/docs/_modules/simstack/core/run_node.html +390 -0
  103. simstack/static/docs/_modules/simstack/core/runner.html +491 -0
  104. simstack/static/docs/_modules/simstack/core/services/base_service.html +522 -0
  105. simstack/static/docs/_modules/simstack/core/services/file_transfer_service.html +436 -0
  106. simstack/static/docs/_modules/simstack/core/services/git_restart_service.html +331 -0
  107. simstack/static/docs/_modules/simstack/core/services/git_uv_update_service.html +427 -0
  108. simstack/static/docs/_modules/simstack/core/services/node_execution_service.html +507 -0
  109. simstack/static/docs/_modules/simstack/core/services/resource_branch_monitor_service.html +390 -0
  110. simstack/static/docs/_modules/simstack/core/services/runner_cleanup_service.html +468 -0
  111. simstack/static/docs/_modules/simstack/core/services/runner_manager.html +485 -0
  112. simstack/static/docs/_modules/simstack/core/services/runner_status_service.html +329 -0
  113. simstack/static/docs/_modules/simstack/core/services/slurm_status_service.html +386 -0
  114. simstack/static/docs/_modules/simstack/core/services/stop_check_service.html +346 -0
  115. simstack/static/docs/_modules/simstack/core/services/timeout_restart_service.html +345 -0
  116. simstack/static/docs/_modules/simstack/core/simstack_result.html +355 -0
  117. simstack/static/docs/_modules/simstack/core/submit_node.html +536 -0
  118. simstack/static/docs/_modules/simstack/core/task_id.html +344 -0
  119. simstack/static/docs/_modules/simstack/methods/archive_files.html +598 -0
  120. simstack/static/docs/_modules/simstack/methods/fire_and_forget_runner.html +432 -0
  121. simstack/static/docs/_modules/simstack/methods/generate_test.html +443 -0
  122. simstack/static/docs/_modules/simstack/methods/get_file.html +342 -0
  123. simstack/static/docs/_modules/simstack/methods/mass_runner.html +476 -0
  124. simstack/static/docs/_modules/simstack/methods/multiple_executor.html +674 -0
  125. simstack/static/docs/_modules/simstack/methods/switch_git.html +332 -0
  126. simstack/static/docs/_modules/simstack/methods/upload_helpers.html +403 -0
  127. simstack/static/docs/_modules/simstack/models/array_list.html +337 -0
  128. simstack/static/docs/_modules/simstack/models/array_storage.html +417 -0
  129. simstack/static/docs/_modules/simstack/models/base_lists.html +374 -0
  130. simstack/static/docs/_modules/simstack/models/base_types.html +588 -0
  131. simstack/static/docs/_modules/simstack/models/charts_artifact.html +1035 -0
  132. simstack/static/docs/_modules/simstack/models/dataset.html +866 -0
  133. simstack/static/docs/_modules/simstack/models/dataset_metadata.html +711 -0
  134. simstack/static/docs/_modules/simstack/models/datasettuple.html +1005 -0
  135. simstack/static/docs/_modules/simstack/models/file_instance.html +472 -0
  136. simstack/static/docs/_modules/simstack/models/file_list.html +367 -0
  137. simstack/static/docs/_modules/simstack/models/files.html +773 -0
  138. simstack/static/docs/_modules/simstack/models/fire_and_forget_result.html +335 -0
  139. simstack/static/docs/_modules/simstack/models/images2d.html +447 -0
  140. simstack/static/docs/_modules/simstack/models/log_entry_model.html +356 -0
  141. simstack/static/docs/_modules/simstack/models/models.html +374 -0
  142. simstack/static/docs/_modules/simstack/models/named_data_reference.html +355 -0
  143. simstack/static/docs/_modules/simstack/models/node_registry.html +415 -0
  144. simstack/static/docs/_modules/simstack/models/pandas_model.html +570 -0
  145. simstack/static/docs/_modules/simstack/models/parameters.html +739 -0
  146. simstack/static/docs/_modules/simstack/models/pickle_models.html +631 -0
  147. simstack/static/docs/_modules/simstack/models/project.html +329 -0
  148. simstack/static/docs/_modules/simstack/models/resource_assignment.html +501 -0
  149. simstack/static/docs/_modules/simstack/models/resource_definition.html +477 -0
  150. simstack/static/docs/_modules/simstack/models/runner_model.html +361 -0
  151. simstack/static/docs/_modules/simstack/models/simple_table.html +413 -0
  152. simstack/static/docs/_modules/simstack/models/simstack_model.html +416 -0
  153. simstack/static/docs/_modules/simstack/models/slurm_info.html +333 -0
  154. simstack/static/docs/_modules/simstack/models/table_artifact.html +406 -0
  155. simstack/static/docs/_modules/simstack/models/tag.html +328 -0
  156. simstack/static/docs/_modules/simstack/tables/model_table.html +519 -0
  157. simstack/static/docs/_modules/simstack/tables/node_children.html +538 -0
  158. simstack/static/docs/_modules/simstack/tables/node_table.html +854 -0
  159. simstack/static/docs/_modules/simstack/tables/table_builder.html +642 -0
  160. simstack/static/docs/_modules/simstack/util/async_zip_utils.html +337 -0
  161. simstack/static/docs/_modules/simstack/util/b64mixin.html +339 -0
  162. simstack/static/docs/_modules/simstack/util/cleaned_json_schema.html +336 -0
  163. simstack/static/docs/_modules/simstack/util/config_reader.html +498 -0
  164. simstack/static/docs/_modules/simstack/util/custom_model_dump.html +391 -0
  165. simstack/static/docs/_modules/simstack/util/database_information.html +488 -0
  166. simstack/static/docs/_modules/simstack/util/db.html +1392 -0
  167. simstack/static/docs/_modules/simstack/util/db_logger.html +448 -0
  168. simstack/static/docs/_modules/simstack/util/default_from_dict.html +376 -0
  169. simstack/static/docs/_modules/simstack/util/directory_iterator.html +553 -0
  170. simstack/static/docs/_modules/simstack/util/docstring_parser.html +526 -0
  171. simstack/static/docs/_modules/simstack/util/file_hashing.html +394 -0
  172. simstack/static/docs/_modules/simstack/util/file_transfer_client.html +791 -0
  173. simstack/static/docs/_modules/simstack/util/files.html +733 -0
  174. simstack/static/docs/_modules/simstack/util/find_python_files.html +349 -0
  175. simstack/static/docs/_modules/simstack/util/generate_ui_schema.html +396 -0
  176. simstack/static/docs/_modules/simstack/util/generic_list_mixin.html +487 -0
  177. simstack/static/docs/_modules/simstack/util/get_module_path.html +336 -0
  178. simstack/static/docs/_modules/simstack/util/git_pull.html +381 -0
  179. simstack/static/docs/_modules/simstack/util/git_repository_status.html +411 -0
  180. simstack/static/docs/_modules/simstack/util/import_module.html +377 -0
  181. simstack/static/docs/_modules/simstack/util/importer.html +637 -0
  182. simstack/static/docs/_modules/simstack/util/init_data_source.html +357 -0
  183. simstack/static/docs/_modules/simstack/util/make_graph.html +423 -0
  184. simstack/static/docs/_modules/simstack/util/make_table.html +1171 -0
  185. simstack/static/docs/_modules/simstack/util/mappings.html +378 -0
  186. simstack/static/docs/_modules/simstack/util/minimal_route_finder.html +388 -0
  187. simstack/static/docs/_modules/simstack/util/mock_db.html +472 -0
  188. simstack/static/docs/_modules/simstack/util/module_path_checker.html +354 -0
  189. simstack/static/docs/_modules/simstack/util/object_list_mixin.html +649 -0
  190. simstack/static/docs/_modules/simstack/util/path_manager.html +566 -0
  191. simstack/static/docs/_modules/simstack/util/project_root_finder.html +357 -0
  192. simstack/static/docs/_modules/simstack/util/queue_watcher.html +593 -0
  193. simstack/static/docs/_modules/simstack/util/resource_config.html +532 -0
  194. simstack/static/docs/_modules/simstack/util/route_finder.html +390 -0
  195. simstack/static/docs/_modules/simstack/util/runner_util.html +487 -0
  196. simstack/static/docs/_modules/simstack/util/runner_utils.html +468 -0
  197. simstack/static/docs/_modules/simstack/util/safe_code_executor.html +510 -0
  198. simstack/static/docs/_modules/simstack/util/sample_config.html +414 -0
  199. simstack/static/docs/_modules/simstack/util/sensitive_content_filter.html +364 -0
  200. simstack/static/docs/_modules/simstack/util/setup_logging.html +365 -0
  201. simstack/static/docs/_modules/simstack/util/submit_to_watchdog.html +425 -0
  202. simstack/static/docs/_modules/simstack/util/toml_reader.html +482 -0
  203. simstack/static/docs/_modules/simstack/util/transform_file_name.html +357 -0
  204. simstack/static/docs/_modules/simstack/util/ui_tools.html +541 -0
  205. simstack/static/docs/_sources/architecture.rst.txt +25 -0
  206. simstack/static/docs/_sources/array_lists.rst.txt +60 -0
  207. simstack/static/docs/_sources/ci_pipeline.rst.txt +34 -0
  208. simstack/static/docs/_sources/data.rst.txt +175 -0
  209. simstack/static/docs/_sources/database_migrations.rst.txt +310 -0
  210. simstack/static/docs/_sources/datasets.rst.txt +93 -0
  211. simstack/static/docs/_sources/developer_guide.rst.txt +25 -0
  212. simstack/static/docs/_sources/docker_nodes.rst.txt +149 -0
  213. simstack/static/docs/_sources/files.rst.txt +159 -0
  214. simstack/static/docs/_sources/fire_and_forget_runner.rst.txt +67 -0
  215. simstack/static/docs/_sources/index.rst.txt +25 -0
  216. simstack/static/docs/_sources/installation.rst.txt +213 -0
  217. simstack/static/docs/_sources/lists.rst.txt +111 -0
  218. simstack/static/docs/_sources/mass_runner.rst.txt +91 -0
  219. simstack/static/docs/_sources/misc.rst.txt +106 -0
  220. simstack/static/docs/_sources/overview.rst.txt +91 -0
  221. simstack/static/docs/_sources/recovery.rst.txt +38 -0
  222. simstack/static/docs/_sources/resource_config.rst.txt +141 -0
  223. simstack/static/docs/_sources/simstack/modules/modules.rst.txt +7 -0
  224. simstack/static/docs/_sources/simstack/modules/simstack.core.rst.txt +205 -0
  225. simstack/static/docs/_sources/simstack/modules/simstack.core.services.rst.txt +109 -0
  226. simstack/static/docs/_sources/simstack/modules/simstack.methods.rst.txt +77 -0
  227. simstack/static/docs/_sources/simstack/modules/simstack.models.rst.txt +261 -0
  228. simstack/static/docs/_sources/simstack/modules/simstack.rst.txt +22 -0
  229. simstack/static/docs/_sources/simstack/modules/simstack.tables.rst.txt +45 -0
  230. simstack/static/docs/_sources/simstack/modules/simstack.util.rst.txt +381 -0
  231. simstack/static/docs/_sources/submit.rst.txt +141 -0
  232. simstack/static/docs/_sources/tables.rst.txt +50 -0
  233. simstack/static/docs/_sources/testing_complex_nodes.rst.txt +92 -0
  234. simstack/static/docs/_sources/ui_documentation.rst.txt +272 -0
  235. simstack/static/docs/_sources/workflows.rst.txt +446 -0
  236. simstack/static/docs/_static/base-stemmer.js +476 -0
  237. simstack/static/docs/_static/basic.css +906 -0
  238. simstack/static/docs/_static/cobalt2-theme.css +1 -0
  239. simstack/static/docs/_static/debug.css +69 -0
  240. simstack/static/docs/_static/docs-build-badge.css +51 -0
  241. simstack/static/docs/_static/docs-build-badge.js +51 -0
  242. simstack/static/docs/_static/doctools.js +150 -0
  243. simstack/static/docs/_static/documentation_options.js +13 -0
  244. simstack/static/docs/_static/english-stemmer.js +1066 -0
  245. simstack/static/docs/_static/file.png +0 -0
  246. simstack/static/docs/_static/language_data.js +13 -0
  247. simstack/static/docs/_static/minus.png +0 -0
  248. simstack/static/docs/_static/plus.png +0 -0
  249. simstack/static/docs/_static/pygments.css +250 -0
  250. simstack/static/docs/_static/scripts/furo-extensions.js +0 -0
  251. simstack/static/docs/_static/scripts/furo.js +3 -0
  252. simstack/static/docs/_static/scripts/furo.js.LICENSE.txt +7 -0
  253. simstack/static/docs/_static/scripts/furo.js.map +1 -0
  254. simstack/static/docs/_static/searchtools.js +693 -0
  255. simstack/static/docs/_static/skeleton.css +296 -0
  256. simstack/static/docs/_static/sphinx_highlight.js +159 -0
  257. simstack/static/docs/_static/styles/furo-extensions.css +2 -0
  258. simstack/static/docs/_static/styles/furo-extensions.css.map +1 -0
  259. simstack/static/docs/_static/styles/furo.css +2 -0
  260. simstack/static/docs/_static/styles/furo.css.map +1 -0
  261. simstack/static/docs/architecture.html +340 -0
  262. simstack/static/docs/array_lists.html +678 -0
  263. simstack/static/docs/ci_pipeline.html +385 -0
  264. simstack/static/docs/data.html +545 -0
  265. simstack/static/docs/database_migrations.html +652 -0
  266. simstack/static/docs/datasets.html +1268 -0
  267. simstack/static/docs/developer_guide.html +359 -0
  268. simstack/static/docs/docker_nodes.html +503 -0
  269. simstack/static/docs/files.html +718 -0
  270. simstack/static/docs/fire_and_forget_runner.html +641 -0
  271. simstack/static/docs/genindex.html +6390 -0
  272. simstack/static/docs/index.html +516 -0
  273. simstack/static/docs/installation.html +553 -0
  274. simstack/static/docs/lists.html +478 -0
  275. simstack/static/docs/mass_runner.html +481 -0
  276. simstack/static/docs/misc.html +454 -0
  277. simstack/static/docs/objects.inv +0 -0
  278. simstack/static/docs/overview.html +469 -0
  279. simstack/static/docs/py-modindex.html +1111 -0
  280. simstack/static/docs/recovery.html +371 -0
  281. simstack/static/docs/resource_config.html +590 -0
  282. simstack/static/docs/search.html +327 -0
  283. simstack/static/docs/searchindex.js +1 -0
  284. simstack/static/docs/simstack/modules/modules.html +489 -0
  285. simstack/static/docs/simstack/modules/simstack.core.html +1883 -0
  286. simstack/static/docs/simstack/modules/simstack.core.services.html +698 -0
  287. simstack/static/docs/simstack/modules/simstack.html +3060 -0
  288. simstack/static/docs/simstack/modules/simstack.methods.html +1150 -0
  289. simstack/static/docs/simstack/modules/simstack.models.html +13113 -0
  290. simstack/static/docs/simstack/modules/simstack.tables.html +635 -0
  291. simstack/static/docs/simstack/modules/simstack.util.html +3320 -0
  292. simstack/static/docs/submit.html +487 -0
  293. simstack/static/docs/tables.html +539 -0
  294. simstack/static/docs/testing_complex_nodes.html +458 -0
  295. simstack/static/docs/ui_documentation.html +788 -0
  296. simstack/static/docs/workflows.html +766 -0
  297. simstack/tables/__init__.py +0 -0
  298. simstack/tables/model_table.py +191 -0
  299. simstack/tables/node_children.py +219 -0
  300. simstack/tables/node_table.py +517 -0
  301. simstack/tables/table_builder.py +314 -0
  302. simstack/util/__init__.py +0 -0
  303. simstack/util/async_zip_utils.py +18 -0
  304. simstack/util/b64mixin.py +23 -0
  305. simstack/util/cleaned_json_schema.py +20 -0
  306. simstack/util/config_reader.py +179 -0
  307. simstack/util/custom_model_dump.py +75 -0
  308. simstack/util/database_information.py +160 -0
  309. simstack/util/db.py +1013 -0
  310. simstack/util/db_logger.py +117 -0
  311. simstack/util/default_from_dict.py +57 -0
  312. simstack/util/directory_iterator.py +216 -0
  313. simstack/util/docstring_parser.py +186 -0
  314. simstack/util/file_hashing.py +72 -0
  315. simstack/util/file_transfer_client.py +427 -0
  316. simstack/util/files.py +396 -0
  317. simstack/util/find_python_files.py +33 -0
  318. simstack/util/generate_ui_schema.py +80 -0
  319. simstack/util/generic_list_mixin.py +120 -0
  320. simstack/util/geometry_utils.py +118 -0
  321. simstack/util/get_module_path.py +20 -0
  322. simstack/util/git_pull.py +65 -0
  323. simstack/util/git_repository_status.py +95 -0
  324. simstack/util/import_module.py +63 -0
  325. simstack/util/importer.py +312 -0
  326. simstack/util/init_data_source.py +41 -0
  327. simstack/util/make_graph.py +107 -0
  328. simstack/util/make_table.py +837 -0
  329. simstack/util/mappings.py +41 -0
  330. simstack/util/minimal_route_finder.py +72 -0
  331. simstack/util/mock_db.py +144 -0
  332. simstack/util/module_path_checker.py +38 -0
  333. simstack/util/object_list_mixin.py +282 -0
  334. simstack/util/path_manager.py +223 -0
  335. simstack/util/project_root_finder.py +41 -0
  336. simstack/util/queue_watcher.py +262 -0
  337. simstack/util/resource_config.py +198 -0
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  339. simstack/util/runner_util.py +166 -0
  340. simstack/util/runner_utils.py +143 -0
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  342. simstack/util/sample_config.py +98 -0
  343. simstack/util/sensitive_content_filter.py +48 -0
  344. simstack/util/setup_logging.py +49 -0
  345. simstack/util/submit_to_watchdog.py +106 -0
  346. simstack/util/toml_reader.py +142 -0
  347. simstack/util/transform_file_name.py +41 -0
  348. simstack/util/ui_tools.py +213 -0
  349. simstack-2.0.1.dist-info/METADATA +454 -0
  350. simstack-2.0.1.dist-info/RECORD +354 -0
  351. simstack-2.0.1.dist-info/WHEEL +5 -0
  352. simstack-2.0.1.dist-info/entry_points.txt +12 -0
  353. simstack-2.0.1.dist-info/licenses/LICENSE +21 -0
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+ <li class="toctree-l2"><a class="reference internal" href="fire_and_forget_runner.html">FireAndForgetRunner</a></li>
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+ <li class="toctree-l1 has-children"><a class="reference internal" href="simstack/modules/modules.html">simstack</a><input aria-label="Toggle navigation of simstack" class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" role="switch" type="checkbox"/><label for="toctree-checkbox-2"><span class="icon"><svg><use href="#svg-arrow-right"></use></svg></span></label><ul>
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+ <li class="toctree-l3 has-children"><a class="reference internal" href="simstack/modules/simstack.core.html">simstack.core package</a><input aria-label="Toggle navigation of simstack.core package" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" role="switch" type="checkbox"/><label for="toctree-checkbox-4"><span class="icon"><svg><use href="#svg-arrow-right"></use></svg></span></label><ul>
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+ <li class="toctree-l4"><a class="reference internal" href="simstack/modules/simstack.core.services.html">simstack.core.services package</a></li>
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+ <li class="toctree-l3"><a class="reference internal" href="simstack/modules/simstack.tables.html">simstack.tables package</a></li>
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+ <li class="toctree-l3"><a class="reference internal" href="simstack/modules/simstack.util.html">simstack.util package</a></li>
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+ <article role="main" id="furo-main-content">
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+ <section id="overview">
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+ <h1>Overview<a class="headerlink" href="#overview" title="Link to this heading">¶</a></h1>
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+ <section id="simstack-ii">
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+ <h2>SimStack II<a class="headerlink" href="#simstack-ii" title="Link to this heading">¶</a></h2>
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+ <p>SimStack II is a modern, Python-based workflow system with a web-based graphical user interface (GUI). The GUI is generated automatically from your Python workflow code and supports interactive inspection of inputs, outputs, tables, and plots.</p>
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+ <section id="key-features">
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+ <h3>Key features<a class="headerlink" href="#key-features" title="Link to this heading">¶</a></h3>
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+ <ul class="simple">
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+ <li><p><strong>GUI-driven execution:</strong> Workflows are submitted via a <a class="reference internal" href="ui_documentation.html#using-gui-section"><span class="std std-ref">graphical user interface</span></a>, which is auto-generated from the <a class="reference internal" href="ui_documentation.html#writing-gui-section"><span class="std std-ref">Python code</span></a>.</p></li>
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+ <li><p><strong>Persistent results:</strong> Inputs and results are stored automatically in a non-SQL database so they can be reused and re-analyzed.</p></li>
291
+ <li><p><strong>Flexible workflows:</strong> Workflows can be generated dynamically at runtime, nested, and executed across different remote resources.</p></li>
292
+ <li><p><strong>Artifacts for analysis:</strong> Tables, plots, and other artifacts can be created during or after workflow execution to support data analysis.</p></li>
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+ <li><p><strong>Simple authoring model:</strong> <a class="reference internal" href="workflows.html"><span class="doc">Workflows</span></a> are written as decorated plain Python functions.</p></li>
294
+ </ul>
295
+ </section>
296
+ <section id="roadmap">
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+ <h3>Roadmap<a class="headerlink" href="#roadmap" title="Link to this heading">¶</a></h3>
298
+ <p>Future versions are planned to (roughly in this order):</p>
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+ <ul class="simple">
300
+ <li><p>integrate research data management</p></li>
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+ <li><p>provide tools to wrap other workflow systems</p></li>
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+ <li><p>implement artifact generation via the GUI</p></li>
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+ <li><p>enable data aggregation via the GUI</p></li>
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+ <li><p>enable workflow development via the GUI</p></li>
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+ </ul>
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+ <p>For a quick start, see <a class="reference internal" href="installation.html"><span class="doc">Simstack II Setup</span></a> and start using SimStack II via the <a class="reference internal" href="ui_documentation.html#using-gui-section"><span class="std std-ref">graphical user interface</span></a>.</p>
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+ </section>
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+ </section>
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+ <section id="motivation">
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+ <h2>Motivation<a class="headerlink" href="#motivation" title="Link to this heading">¶</a></h2>
311
+ <p>Computational scientists produce data that ultimately becomes figures and tables in publications.
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+ To aid this process many workflow environments already exist:
313
+ <a class="reference external" href="https://en.wikipedia.org/wiki/Workflow_management_system">Wikipedia</a> lists a wide range of systems
314
+ such as Airflow, Luigi, Nextflow, and Snakemake. Many widely used tools are file-based:
315
+ a workflow is defined in a static configuration file and executed by an engine.
316
+ This approach can be robust and has been very successful,
317
+ but it often becomes limiting when workflows must be assembled dynamically or adapted during execution.</p>
318
+ <p>In parallel, the AI/ML ecosystem has accelerated the development of powerful Python-native workflow
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+ systems such as
320
+ <a class="reference external" href="https://github.com/AgnostiqHQ/covalent">covalent</a>,
321
+ <a class="reference external" href="https://github.com/PrefectHQ/prefect">prefect</a>, and
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+ <a class="reference external" href="https://github.com/pyiron/pyiron">pyiron</a>.
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+ These systems embrace Python directly, enabling more dynamic and expressive computation pipelines.</p>
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+ <p>Our experience with SimStack I suggests there are two only partially overlapping communities:</p>
325
+ <ul class="simple">
326
+ <li><p>expert workflow developers (in python or otherwise) who struggle to develop user-interfaces
327
+ make these workflows accessible to end-users</p></li>
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+ <li><p>a larger group of workflow users, but may not have the software engineering background
329
+ to develop the workflows on their own.</p></li>
330
+ </ul>
331
+ <section id="bridging-developers-and-users">
332
+ <h3>Bridging developers and users<a class="headerlink" href="#bridging-developers-and-users" title="Link to this heading">¶</a></h3>
333
+ <p>SimStack II aims to bridge this gap by making workflow execution and result exploration accessible
334
+ through a GUI, while keeping workflow implementation in Python. This enables rapid development of
335
+ workflows using the full power of the python ecosystem. We believe this approach is much more
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+ powerful than attempting to construct complex workflows in a graphical user interface.</p>
337
+ <p>Developers who can construct workflows via a GUI typically have the ability to
338
+ write them directly in Python. A GUI for <em>workflow development</em> thus adds overhead
339
+ without providing much benefit. A GUI for <em>workflow execution and analysis</em>,
340
+ however, can substantially lower the barrier for many users.</p>
341
+ <p>In developing a workflow system for scientific applications, we also need to consider another
342
+ issue: Workflows in IT settings (e.g., server or database maintenance) tend to be stable:
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+ the goal is an environment where everything works all the time.</p>
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+ <p>Scientific workflows often operate in a different environment: methods, hypotheses, and
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+ analysis requirements evolve continuously. A workflow may succeed technically while
346
+ producing results that invalidate the motivating hypothesis—triggering
347
+ new analysis and iteration.</p>
348
+ <p>This reality makes persistence, traceability, and interactive re-analysis essential.</p>
349
+ </section>
350
+ <section id="design-goals">
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+ <h3>Design goals<a class="headerlink" href="#design-goals" title="Link to this heading">¶</a></h3>
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+ <p>SimStack II is designed with the following priorities:</p>
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+ <ul class="simple">
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+ <li><p>Workflows are initialized, monitored, and managed through a GUI on a variety of compute resources.</p></li>
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+ <li><p>Results are persisted and accessible for re-analysis, ideally through the GUI.</p></li>
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+ <li><p>Workflow components are implemented in Python, with minimal coding overhead.</p></li>
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+ <li><p>Workflows expose results in a UI that is (to a large extent)
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+ automatically generated on the basis of the python code additional frontend development.</p></li>
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+ </ul>
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+ </section>
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+ </section>
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+ <section id="simstack-architecture">
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+ <h2>Simstack Architecture<a class="headerlink" href="#simstack-architecture" title="Link to this heading">¶</a></h2>
364
+ <p>Simstack II was implemented using the following architecture:</p>
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+ <figure class="align-center" id="id1">
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+ <img alt="GUI Concept Design" src="_images/GUI%20Concept.webp" />
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+ <figcaption>
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+ <p><span class="caption-text">Overview of the graphical user interface concept</span><a class="headerlink" href="#id1" title="Link to this image">¶</a></p>
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+ </figcaption>
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+ </figure>
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+ <p>Starting at the bottom right, then end user interacts with a web-based
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+ graphical user interface (GUI) implemented using Next-JS. The GUI interacts
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+ with a backend implemented using FastAPI, which in turn interacts with a
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+ MongoDB database to persist data. The backend also interacts with remote
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+ resources, so called runners, where the python code is actually executed. The graphical user interface
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+ is decribed in more detail in <span class="xref std std-ref">using_gui_section</span>.</p>
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+ <p>In a typical installation Simstack II requrires only one instance of the
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+ Next-JS frontend, one instance of the FastAPI backend and one instance of
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+ the MongoDB database server. Each user has his/her own database in the
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+ MongoDB server. The runners are installed for each user on the required remote resources and automatically update themselves
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+ from one or several GIT repositories, which may be different for different users.</p>
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+ </section>
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+ </section>
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