hpcflow-new2 0.2.0a190__py3-none-any.whl → 0.2.0a199__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 (130) hide show
  1. hpcflow/__pyinstaller/hook-hpcflow.py +1 -0
  2. hpcflow/_version.py +1 -1
  3. hpcflow/data/scripts/bad_script.py +2 -0
  4. hpcflow/data/scripts/do_nothing.py +2 -0
  5. hpcflow/data/scripts/env_specifier_test/input_file_generator_pass_env_spec.py +4 -0
  6. hpcflow/data/scripts/env_specifier_test/main_script_test_pass_env_spec.py +8 -0
  7. hpcflow/data/scripts/env_specifier_test/output_file_parser_pass_env_spec.py +4 -0
  8. hpcflow/data/scripts/env_specifier_test/v1/input_file_generator_basic.py +4 -0
  9. hpcflow/data/scripts/env_specifier_test/v1/main_script_test_direct_in_direct_out.py +7 -0
  10. hpcflow/data/scripts/env_specifier_test/v1/output_file_parser_basic.py +4 -0
  11. hpcflow/data/scripts/env_specifier_test/v2/main_script_test_direct_in_direct_out.py +7 -0
  12. hpcflow/data/scripts/input_file_generator_basic.py +3 -0
  13. hpcflow/data/scripts/input_file_generator_basic_FAIL.py +3 -0
  14. hpcflow/data/scripts/input_file_generator_test_stdout_stderr.py +8 -0
  15. hpcflow/data/scripts/main_script_test_direct_in.py +3 -0
  16. hpcflow/data/scripts/main_script_test_direct_in_direct_out_2.py +6 -0
  17. hpcflow/data/scripts/main_script_test_direct_in_direct_out_2_fail_allowed.py +6 -0
  18. hpcflow/data/scripts/main_script_test_direct_in_direct_out_2_fail_allowed_group.py +7 -0
  19. hpcflow/data/scripts/main_script_test_direct_in_direct_out_3.py +6 -0
  20. hpcflow/data/scripts/main_script_test_direct_in_group_direct_out_3.py +6 -0
  21. hpcflow/data/scripts/main_script_test_direct_in_group_one_fail_direct_out_3.py +6 -0
  22. hpcflow/data/scripts/main_script_test_hdf5_in_obj_2.py +12 -0
  23. hpcflow/data/scripts/main_script_test_json_out_FAIL.py +3 -0
  24. hpcflow/data/scripts/main_script_test_shell_env_vars.py +12 -0
  25. hpcflow/data/scripts/main_script_test_std_out_std_err.py +6 -0
  26. hpcflow/data/scripts/output_file_parser_basic.py +3 -0
  27. hpcflow/data/scripts/output_file_parser_basic_FAIL.py +7 -0
  28. hpcflow/data/scripts/output_file_parser_test_stdout_stderr.py +8 -0
  29. hpcflow/data/scripts/script_exit_test.py +5 -0
  30. hpcflow/data/template_components/environments.yaml +1 -1
  31. hpcflow/sdk/__init__.py +5 -0
  32. hpcflow/sdk/app.py +150 -89
  33. hpcflow/sdk/cli.py +263 -84
  34. hpcflow/sdk/cli_common.py +99 -5
  35. hpcflow/sdk/config/callbacks.py +38 -1
  36. hpcflow/sdk/config/config.py +102 -13
  37. hpcflow/sdk/config/errors.py +19 -5
  38. hpcflow/sdk/config/types.py +3 -0
  39. hpcflow/sdk/core/__init__.py +25 -1
  40. hpcflow/sdk/core/actions.py +914 -262
  41. hpcflow/sdk/core/cache.py +76 -34
  42. hpcflow/sdk/core/command_files.py +14 -128
  43. hpcflow/sdk/core/commands.py +35 -6
  44. hpcflow/sdk/core/element.py +122 -50
  45. hpcflow/sdk/core/errors.py +58 -2
  46. hpcflow/sdk/core/execute.py +207 -0
  47. hpcflow/sdk/core/loop.py +408 -50
  48. hpcflow/sdk/core/loop_cache.py +4 -4
  49. hpcflow/sdk/core/parameters.py +382 -37
  50. hpcflow/sdk/core/run_dir_files.py +13 -40
  51. hpcflow/sdk/core/skip_reason.py +7 -0
  52. hpcflow/sdk/core/task.py +119 -30
  53. hpcflow/sdk/core/task_schema.py +68 -0
  54. hpcflow/sdk/core/test_utils.py +66 -27
  55. hpcflow/sdk/core/types.py +54 -1
  56. hpcflow/sdk/core/utils.py +78 -7
  57. hpcflow/sdk/core/workflow.py +1538 -336
  58. hpcflow/sdk/data/workflow_spec_schema.yaml +2 -0
  59. hpcflow/sdk/demo/cli.py +7 -0
  60. hpcflow/sdk/helper/cli.py +1 -0
  61. hpcflow/sdk/log.py +42 -15
  62. hpcflow/sdk/persistence/base.py +405 -53
  63. hpcflow/sdk/persistence/json.py +177 -52
  64. hpcflow/sdk/persistence/pending.py +237 -69
  65. hpcflow/sdk/persistence/store_resource.py +3 -2
  66. hpcflow/sdk/persistence/types.py +15 -4
  67. hpcflow/sdk/persistence/zarr.py +928 -81
  68. hpcflow/sdk/submission/jobscript.py +1408 -489
  69. hpcflow/sdk/submission/schedulers/__init__.py +40 -5
  70. hpcflow/sdk/submission/schedulers/direct.py +33 -19
  71. hpcflow/sdk/submission/schedulers/sge.py +51 -16
  72. hpcflow/sdk/submission/schedulers/slurm.py +44 -16
  73. hpcflow/sdk/submission/schedulers/utils.py +7 -2
  74. hpcflow/sdk/submission/shells/base.py +68 -20
  75. hpcflow/sdk/submission/shells/bash.py +222 -129
  76. hpcflow/sdk/submission/shells/powershell.py +200 -150
  77. hpcflow/sdk/submission/submission.py +852 -119
  78. hpcflow/sdk/submission/types.py +18 -21
  79. hpcflow/sdk/typing.py +24 -5
  80. hpcflow/sdk/utils/arrays.py +71 -0
  81. hpcflow/sdk/utils/deferred_file.py +55 -0
  82. hpcflow/sdk/utils/hashing.py +16 -0
  83. hpcflow/sdk/utils/patches.py +12 -0
  84. hpcflow/sdk/utils/strings.py +33 -0
  85. hpcflow/tests/api/test_api.py +32 -0
  86. hpcflow/tests/conftest.py +19 -0
  87. hpcflow/tests/data/multi_path_sequences.yaml +29 -0
  88. hpcflow/tests/data/workflow_test_run_abort.yaml +34 -35
  89. hpcflow/tests/schedulers/sge/test_sge_submission.py +36 -0
  90. hpcflow/tests/scripts/test_input_file_generators.py +282 -0
  91. hpcflow/tests/scripts/test_main_scripts.py +821 -70
  92. hpcflow/tests/scripts/test_non_snippet_script.py +46 -0
  93. hpcflow/tests/scripts/test_ouput_file_parsers.py +353 -0
  94. hpcflow/tests/shells/wsl/test_wsl_submission.py +6 -0
  95. hpcflow/tests/unit/test_action.py +176 -0
  96. hpcflow/tests/unit/test_app.py +20 -0
  97. hpcflow/tests/unit/test_cache.py +46 -0
  98. hpcflow/tests/unit/test_cli.py +133 -0
  99. hpcflow/tests/unit/test_config.py +122 -1
  100. hpcflow/tests/unit/test_element_iteration.py +47 -0
  101. hpcflow/tests/unit/test_jobscript_unit.py +757 -0
  102. hpcflow/tests/unit/test_loop.py +1332 -27
  103. hpcflow/tests/unit/test_meta_task.py +325 -0
  104. hpcflow/tests/unit/test_multi_path_sequences.py +229 -0
  105. hpcflow/tests/unit/test_parameter.py +13 -0
  106. hpcflow/tests/unit/test_persistence.py +190 -8
  107. hpcflow/tests/unit/test_run.py +109 -3
  108. hpcflow/tests/unit/test_run_directories.py +29 -0
  109. hpcflow/tests/unit/test_shell.py +20 -0
  110. hpcflow/tests/unit/test_submission.py +5 -76
  111. hpcflow/tests/unit/utils/test_arrays.py +40 -0
  112. hpcflow/tests/unit/utils/test_deferred_file_writer.py +34 -0
  113. hpcflow/tests/unit/utils/test_hashing.py +65 -0
  114. hpcflow/tests/unit/utils/test_patches.py +5 -0
  115. hpcflow/tests/unit/utils/test_redirect_std.py +50 -0
  116. hpcflow/tests/workflows/__init__.py +0 -0
  117. hpcflow/tests/workflows/test_directory_structure.py +31 -0
  118. hpcflow/tests/workflows/test_jobscript.py +332 -0
  119. hpcflow/tests/workflows/test_run_status.py +198 -0
  120. hpcflow/tests/workflows/test_skip_downstream.py +696 -0
  121. hpcflow/tests/workflows/test_submission.py +140 -0
  122. hpcflow/tests/workflows/test_workflows.py +142 -2
  123. hpcflow/tests/workflows/test_zip.py +18 -0
  124. hpcflow/viz_demo.ipynb +6587 -3
  125. {hpcflow_new2-0.2.0a190.dist-info → hpcflow_new2-0.2.0a199.dist-info}/METADATA +7 -4
  126. hpcflow_new2-0.2.0a199.dist-info/RECORD +221 -0
  127. hpcflow_new2-0.2.0a190.dist-info/RECORD +0 -165
  128. {hpcflow_new2-0.2.0a190.dist-info → hpcflow_new2-0.2.0a199.dist-info}/LICENSE +0 -0
  129. {hpcflow_new2-0.2.0a190.dist-info → hpcflow_new2-0.2.0a199.dist-info}/WHEEL +0 -0
  130. {hpcflow_new2-0.2.0a190.dist-info → hpcflow_new2-0.2.0a199.dist-info}/entry_points.txt +0 -0
@@ -1,12 +1,12 @@
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  Metadata-Version: 2.1
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  Name: hpcflow-new2
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- Version: 0.2.0a190
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+ Version: 0.2.0a199
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  Summary: Computational workflow management
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- License: MIT
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+ License: MPL-2.0
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  Author: aplowman
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  Author-email: adam.plowman@manchester.ac.uk
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  Requires-Python: >=3.9,<3.13
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- Classifier: License :: OSI Approved :: MIT License
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+ Classifier: License :: OSI Approved
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  Classifier: Programming Language :: Python :: 3
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  Classifier: Programming Language :: Python :: 3.9
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  Classifier: Programming Language :: Python :: 3.10
@@ -23,15 +23,18 @@ Requires-Dist: paramiko (>=3.2.0,<4.0.0)
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  Requires-Dist: platformdirs (>=4.2.1,<5.0.0)
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  Requires-Dist: psutil (>=5.9.4,<6.0.0)
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  Requires-Dist: pytest (>=7.2.0,<8.0.0) ; extra == "test"
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+ Requires-Dist: pyzmq (>=26.0.3,<27.0.0)
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  Requires-Dist: requests (>=2.31.0,<3.0.0)
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  Requires-Dist: reretry (>=0.11.8,<0.12.0)
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  Requires-Dist: rich (>=13.4.2,<14.0.0)
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  Requires-Dist: ruamel-yaml (>=0.18.6,<0.19.0)
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+ Requires-Dist: scipy (>=1.13.1,<2.0.0) ; python_version < "3.10"
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+ Requires-Dist: scipy (>=1.15.2,<2.0.0) ; python_version >= "3.10"
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  Requires-Dist: termcolor (>=1.1.0,<2.0.0)
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  Requires-Dist: typing-extensions (>=4.12.2,<5.0.0)
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  Requires-Dist: valida (>=0.7.5,<0.8.0)
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  Requires-Dist: watchdog (>=2.1.9,<3.0.0)
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- Requires-Dist: zarr (>=2.17.2,<3.0.0)
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+ Requires-Dist: zarr (==2.17.2)
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  Description-Content-Type: text/markdown
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  <div align="center">
@@ -0,0 +1,221 @@
1
+ hpcflow/__init__.py,sha256=WIETuRHeOp2SqUqHUzpjQ-lk9acbYv-6aWOhZPRdlhs,64
2
+ hpcflow/__pyinstaller/__init__.py,sha256=YOzBlPSck6slucv6lJM9K80JtsJWxXRL00cv6tRj3oc,98
3
+ hpcflow/__pyinstaller/hook-hpcflow.py,sha256=P2b-8QdQqkSS7cJB6CB3CudUuJ9iZzTh2fQF4hNdCa4,1118
4
+ hpcflow/_version.py,sha256=XxCuM6QtPFWLNNUj71O06AFujdf6PHPN7nk30q92GQA,26
5
+ hpcflow/app.py,sha256=gl2viVS65PbpDhUp2DARaYHFDqDWQjuoyB3ikrCNRW4,1367
6
+ hpcflow/cli.py,sha256=G2J3D9v6MnMWOWMMWK6UEKLn_6wnV9lT_qygEBBxg-I,66
7
+ hpcflow/data/demo_data_manifest/__init__.py,sha256=Hsq0jT8EXM13wu1MpGy5FQgyuz56ygep4VWOnulFn50,41
8
+ hpcflow/data/demo_data_manifest/demo_data_manifest.json,sha256=VauMm2cjlwGqR2zlfs_qzQn3zkwiUPG20nmMlucu-yY,91
9
+ hpcflow/data/scripts/__init__.py,sha256=PqXAhMNG3u78no80syXUGcs6uQ2Ir3pj24ioBjsmhuk,80
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+ hpcflow/data/scripts/bad_script.py,sha256=NL_0k10ODetpcpGWR5nOfKCXZxrbXOnj39vWqmi5f9U,50
11
+ hpcflow/data/scripts/demo_task_1_generate_t1_infile_1.py,sha256=HdPPv796JjlWuN2K8xUlv3c_kSZRr3GvXr_4KwSCOfQ,212
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+ hpcflow/data/scripts/demo_task_1_generate_t1_infile_2.py,sha256=7rpGf5mT5nxGY7R6n64jwYoenQhX44yiUJeZ8l4WtTg,212
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+ hpcflow/data/scripts/demo_task_1_parse_p3.py,sha256=s9t2wrnHBPnxFvEwQDmnAIyK0y1Zi7u9VfdYYx67hP4,166
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+ hpcflow/data/scripts/do_nothing.py,sha256=eiGzZT9xOYnszX5rF2YwuwemjEsKQ-6uOPyIOV0PVQY,27
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+ hpcflow/data/scripts/env_specifier_test/input_file_generator_pass_env_spec.py,sha256=edyUaL1a-uEBop3e62lIpXEql_aEC2FdtU8mEsU98eg,139
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+ hpcflow/data/scripts/env_specifier_test/main_script_test_pass_env_spec.py,sha256=xwBP3IdYqS1kMguDEQyZC0cp3rrKu8fk4daDkt1768o,147
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+ hpcflow/data/scripts/env_specifier_test/output_file_parser_pass_env_spec.py,sha256=Tju7Ty7d92f3cc6jyybjm3XMSivrWjw-rYVxVDe6nzQ,163
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+ hpcflow/data/scripts/env_specifier_test/v1/input_file_generator_basic.py,sha256=L6gdz1raRxKoDHm8D3NHbir1YdzSOVgZcEEAomwCgH4,115
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+ hpcflow/data/scripts/env_specifier_test/v1/main_script_test_direct_in_direct_out.py,sha256=pRUk4gQ1fz4S34YsUwEn0xbaTjMVUUG9bt6qSOSSghg,137
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+ hpcflow/data/scripts/env_specifier_test/v1/output_file_parser_basic.py,sha256=l50Pvl5bZSeD-BImdaQ4dZ6lTaNKjrxnLFbz-YvtJok,139
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+ hpcflow/data/scripts/env_specifier_test/v2/main_script_test_direct_in_direct_out.py,sha256=CJe8th-rNseGhzYarIDGfIK2eJoLBU2tKRXqzPIPfDI,137
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+ hpcflow/data/scripts/generate_t1_file_01.py,sha256=QtrtIC-lDZynzhIUxjJPTSAjLffSug-HMWEpnmNpHlI,168
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+ hpcflow/data/scripts/input_file_generator_basic.py,sha256=wekw1-XIyg1zPxgrvBUlVJRlSqMUC0JrfbK8xDQRdTE,101
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+ hpcflow/data/scripts/input_file_generator_basic_FAIL.py,sha256=uNho_hqvGlqeRFhReDZTvLUUL4qef3QB_3Q5luvHeqI,104
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+ hpcflow/data/scripts/input_file_generator_test_stdout_stderr.py,sha256=yqOgBJlhRvXxBhRtT1VD_DEAzEjRrkwxLGen9TAFyVs,172
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+ hpcflow/data/scripts/main_script_test_direct_in.py,sha256=oQ0zA6vqjcvirD_P0-ADlh3c2w6TkTW3LDYXuOjHVKQ,70
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out.py,sha256=5zKBGKdkY1vPnu2-_rsENRqyJeiCKiH9IjBbAnmeLHg,123
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out_2.py,sha256=qJH7lT9XwRIV_g8Su5M6wFetxAx9AJZAZ5_MWNOZw6s,125
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out_2_fail_allowed.py,sha256=qHRbsLkRNvorZ0vpY8MdtWdlVp9dZZvH_Hs0AwNw7pY,202
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out_2_fail_allowed_group.py,sha256=RGnFDbFPuTFAt5kCUjUgyb8JLYGbGRhagnn5oRVoz9k,234
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out_3.py,sha256=iK28kwTPg60JRFKuPIBRH5VypSrhcffzYVWfGo8-4N0,125
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out_all_iters_test.py,sha256=p22arJAO3rMJjfEA7s0Acm0l0L_XDICJeMoNXpmk79A,463
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out_env_spec.py,sha256=24ibLkkmUlb06mB_xRH0_wIXI-j8SVfsAphBzbtVWus,149
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+ hpcflow/data/scripts/main_script_test_direct_in_direct_out_labels.py,sha256=ORVsD5ZVzPUI42kqp2ndDNgYt0yGYc4DgyhNvZZToI0,175
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+ hpcflow/data/scripts/main_script_test_direct_in_group_direct_out_3.py,sha256=8_thImvQj8fiE0-Usj3cCrkVmJFb1KaO5Ocax6WWF9g,136
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+ hpcflow/data/scripts/main_script_test_direct_in_group_one_fail_direct_out_3.py,sha256=9uyTMhyRHQEhgP7xcytfgo-UIhs48AXuqWiBRXH2zaI,203
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+ hpcflow/data/scripts/main_script_test_direct_sub_param_in_direct_out.py,sha256=pQ-BD1FmqTIHeCaAakCr1M61cWb1Fjinzr1qA3HX3ik,131
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+ hpcflow/data/scripts/main_script_test_hdf5_in_obj.py,sha256=WMRuzwkU4WFLrmUGD0999IowHY1y7cLeS2iuR2R7Dqo,265
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+ hpcflow/data/scripts/main_script_test_hdf5_in_obj_2.py,sha256=SCDkTctGAaHAOWxijVNs59SVsL6YiaIttNN43noPpis,255
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+ hpcflow/data/scripts/main_script_test_hdf5_out_obj.py,sha256=nV_U5DA2xAeV1z9TLyIOUu3rfI2AZSFteFSbGVHQnFE,299
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+ hpcflow/data/scripts/main_script_test_json_and_direct_in_json_out.py,sha256=Y1kpKu59DbjqKW2i4QcmfHzdXYmiAEvNzqIqBU_Z4fg,336
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+ hpcflow/data/scripts/main_script_test_json_in_json_and_direct_out.py,sha256=jjiceG1d6saMWOYZIHfK1pJIWhwyNRAQeZgy49NC5LU,374
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+ hpcflow/data/scripts/main_script_test_json_in_json_out.py,sha256=1VRajQQdtpWSudwjTvh9C5Ws1_jAeqQzIxFLr6ega04,322
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+ hpcflow/data/scripts/main_script_test_json_in_json_out_labels.py,sha256=3lJHyrwKfqe9ReUyUAmVihR6XlKkkews4oMRT9227pU,404
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+ hpcflow/data/scripts/main_script_test_json_in_obj.py,sha256=pHvaEAlKuk7Baabmaw-T6OUIhf712kbow5AESiyKdQI,225
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+ hpcflow/data/scripts/main_script_test_json_out_FAIL.py,sha256=r44Eyr9QnOqSvaVrc8BUypi-65eJlwz_46ysrumZTHI,101
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+ hpcflow/data/scripts/main_script_test_json_out_obj.py,sha256=9715rSsbslIB3ZuF22pBhTm-ux9eVV3a7Qj_f8tc6GA,214
48
+ hpcflow/data/scripts/main_script_test_json_sub_param_in_json_out_labels.py,sha256=GkKqWb-A32ahgX5L_uDWZFfjC6IhBOKKGGP34N2O2tA,402
49
+ hpcflow/data/scripts/main_script_test_shell_env_vars.py,sha256=YFTj5Zdkobhbi_IGzbUHwbR_0_RtfGqd8cYgc6E1NQg,280
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+ hpcflow/data/scripts/main_script_test_std_out_std_err.py,sha256=RmD5VcjE4lzsJZXzrEDZLVYjt4UO-qtgAImK586V4HU,136
51
+ hpcflow/data/scripts/output_file_parser_basic.py,sha256=4fg5Yi5HrHGzhGRxVrU20UYAiCnXqaNMCXDFkxVgpZY,125
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+ hpcflow/data/scripts/output_file_parser_basic_FAIL.py,sha256=BSGQZlBoR-lD-_bMWREoxhML8qKrCboiGQ1aCXxC8uA,288
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+ hpcflow/data/scripts/output_file_parser_test_stdout_stderr.py,sha256=9DREaQA_wEgOAOJyKbuoYgDjVOUILRFd6HMDRAOKmpQ,200
54
+ hpcflow/data/scripts/parse_t1_file_01.py,sha256=2BVotqY3sMc3FXSUPCvnzSHfymyGI9wYYOYrTrXngyI,125
55
+ hpcflow/data/scripts/script_exit_test.py,sha256=RYYPsUoDYQAAPxaU7JPYWjSexMGjGunJ1rbCZXCyN5c,70
56
+ hpcflow/data/template_components/__init__.py,sha256=qv0IzZGQho4aBR2eld5rNFiYlb8nDcTvkAwa982jDWs,83
57
+ hpcflow/data/template_components/command_files.yaml,sha256=HmkyqF7ZJL4z6HDx6U2kaxxog22QGHBcxqZ5oQZdPaI,671
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+ hpcflow/data/template_components/environments.yaml,sha256=c7sohuDSSdQegrsHT_NVjUD6hkyFdVCiYSXfVefU4Kw,405
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