rcsb.workflow 0.53__tar.gz → 0.55__tar.gz

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Files changed (35) hide show
  1. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/HISTORY.txt +2 -0
  2. {rcsb_workflow-0.53/rcsb.workflow.egg-info → rcsb_workflow-0.55}/PKG-INFO +7 -7
  3. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/cli/BcifExec.py +1 -1
  4. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/cli/__init__.py +1 -1
  5. {rcsb_workflow-0.53 → rcsb_workflow-0.55/rcsb.workflow.egg-info}/PKG-INFO +7 -7
  6. rcsb_workflow-0.55/rcsb.workflow.egg-info/requires.txt +15 -0
  7. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/requirements.txt +6 -6
  8. rcsb_workflow-0.53/rcsb.workflow.egg-info/requires.txt +0 -15
  9. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/LICENSE +0 -0
  10. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/MANIFEST.in +0 -0
  11. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/README.md +0 -0
  12. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/__init__.py +0 -0
  13. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/__init__.py +0 -0
  14. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/bcif/__init__.py +0 -0
  15. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/bcif/task_functions.py +0 -0
  16. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/chem/ChemCompFileWorkflow.py +0 -0
  17. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/chem/ChemCompImageWorkflow.py +0 -0
  18. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/chem/ChemCompSearchIndexWorkflow.py +0 -0
  19. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/chem/__init__.py +0 -0
  20. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/cli/ExDbExec.py +0 -0
  21. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/cli/ImgExec.py +0 -0
  22. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/targets/ProteinTargetSequenceExecutionWorkflow.py +0 -0
  23. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/targets/ProteinTargetSequenceWorkflow.py +0 -0
  24. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/targets/__init__.py +0 -0
  25. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/wuw/BcifWorkflow.py +0 -0
  26. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/wuw/ExDbWorkflow.py +0 -0
  27. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/wuw/PdbCsmImageWorkflow.py +0 -0
  28. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb/workflow/wuw/__init__.py +0 -0
  29. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb.workflow.egg-info/SOURCES.txt +0 -0
  30. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb.workflow.egg-info/dependency_links.txt +0 -0
  31. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb.workflow.egg-info/entry_points.txt +0 -0
  32. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb.workflow.egg-info/not-zip-safe +0 -0
  33. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/rcsb.workflow.egg-info/top_level.txt +0 -0
  34. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/setup.cfg +0 -0
  35. {rcsb_workflow-0.53 → rcsb_workflow-0.55}/setup.py +0 -0
@@ -47,3 +47,5 @@
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  19-Feb-2025 - V0.51 Bring back IMGT
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  4-Apr-2025 - V0.52 Add multi cpu execution to jpg generation
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  10-Apr-2025 - V0.53 Add BCIF conversion CLI
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+ 14-May-2025 - V0.54 Update requirements for IHM loading support
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+ 19-May-2025 - V0.55 Update IHM dictionary api for BCIF
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: rcsb.workflow
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- Version: 0.53
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+ Version: 0.55
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  Summary: RCSB Python data processing and ETL/ELT workflow entry points
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  Home-page: https://github.com/rcsb/py-rcsb_workflow
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  Author: John Westbrook
@@ -16,13 +16,13 @@ Classifier: Programming Language :: Python :: 3.9
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  Classifier: Programming Language :: Python :: 3.10
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  Description-Content-Type: text/markdown
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  License-File: LICENSE
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- Requires-Dist: rcsb.utils.chem>=0.81
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- Requires-Dist: rcsb.utils.seq>=0.82
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- Requires-Dist: rcsb.utils.targets>=0.82
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+ Requires-Dist: rcsb.utils.chem>=0.82
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+ Requires-Dist: rcsb.utils.seq>=0.84
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+ Requires-Dist: rcsb.utils.targets>=0.83
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  Requires-Dist: rcsb.utils.seqalign>=0.31
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- Requires-Dist: rcsb.utils.io>=1.48
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- Requires-Dist: rcsb.exdb>=1.28
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- Requires-Dist: rcsb.db>=1.801
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+ Requires-Dist: rcsb.utils.io>=1.49
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+ Requires-Dist: rcsb.exdb>=1.29
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+ Requires-Dist: rcsb.db>=1.802
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  Requires-Dist: requests>=2.32.3
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  Requires-Dist: mmcif>=0.91.0
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  Provides-Extra: dev
@@ -118,7 +118,7 @@ def main():
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  )
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  parser.add_argument(
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  "--ihmDict",
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- default="https://raw.githubusercontent.com/rcsb/py-rcsb_exdb_assets/pdb-ihm-2/dictionary_files/reference/mmcif_ihm_ext.dic",
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+ default="https://raw.githubusercontent.com/rcsb/py-rcsb_exdb_assets/master/dictionary_files/reference/mmcif_ihm_ext.dic",
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  required=False,
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  )
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  # logging
@@ -2,4 +2,4 @@ __docformat__ = "google en"
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  __author__ = "John Westbrook"
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  __email__ = "john.westbrook@rcsb.org"
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  __license__ = "Apache 2.0"
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- __version__ = "0.53"
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+ __version__ = "0.55"
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: rcsb.workflow
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- Version: 0.53
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+ Version: 0.55
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  Summary: RCSB Python data processing and ETL/ELT workflow entry points
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  Home-page: https://github.com/rcsb/py-rcsb_workflow
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  Author: John Westbrook
@@ -16,13 +16,13 @@ Classifier: Programming Language :: Python :: 3.9
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  Classifier: Programming Language :: Python :: 3.10
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  Description-Content-Type: text/markdown
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  License-File: LICENSE
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- Requires-Dist: rcsb.utils.chem>=0.81
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- Requires-Dist: rcsb.utils.seq>=0.82
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- Requires-Dist: rcsb.utils.targets>=0.82
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+ Requires-Dist: rcsb.utils.chem>=0.82
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+ Requires-Dist: rcsb.utils.seq>=0.84
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+ Requires-Dist: rcsb.utils.targets>=0.83
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  Requires-Dist: rcsb.utils.seqalign>=0.31
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- Requires-Dist: rcsb.utils.io>=1.48
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- Requires-Dist: rcsb.exdb>=1.28
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- Requires-Dist: rcsb.db>=1.801
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+ Requires-Dist: rcsb.utils.io>=1.49
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+ Requires-Dist: rcsb.exdb>=1.29
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+ Requires-Dist: rcsb.db>=1.802
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  Requires-Dist: requests>=2.32.3
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  Requires-Dist: mmcif>=0.91.0
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  Provides-Extra: dev
@@ -0,0 +1,15 @@
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+ rcsb.utils.chem>=0.82
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+ rcsb.utils.seq>=0.84
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+ rcsb.utils.targets>=0.83
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+ rcsb.utils.seqalign>=0.31
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+ rcsb.utils.io>=1.49
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+ rcsb.exdb>=1.29
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+ rcsb.db>=1.802
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+ requests>=2.32.3
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+ mmcif>=0.91.0
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+
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+ [dev]
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+ check-manifest
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+
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+ [test]
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+ coverage
@@ -1,11 +1,11 @@
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  --extra-index-url https://pypi.anaconda.org/OpenEye/simple
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  # Above line may be needed despite the OpenEye package not being a direct requirement of this package (it's used by rcsb.utils.chem)
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- rcsb.utils.chem >= 0.81
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- rcsb.utils.seq >= 0.82
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- rcsb.utils.targets >= 0.82
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+ rcsb.utils.chem >= 0.82
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+ rcsb.utils.seq >= 0.84
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+ rcsb.utils.targets >= 0.83
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  rcsb.utils.seqalign >= 0.31
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- rcsb.utils.io >= 1.48
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- rcsb.exdb >= 1.28 # v1.28 is when circular dependency was removed
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- rcsb.db >= 1.801
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+ rcsb.utils.io >= 1.49
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+ rcsb.exdb >= 1.29 # v1.28 is when circular dependency was removed
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+ rcsb.db >= 1.802
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  requests >= 2.32.3
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  mmcif >= 0.91.0
@@ -1,15 +0,0 @@
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- rcsb.utils.chem>=0.81
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- rcsb.utils.seq>=0.82
3
- rcsb.utils.targets>=0.82
4
- rcsb.utils.seqalign>=0.31
5
- rcsb.utils.io>=1.48
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- rcsb.exdb>=1.28
7
- rcsb.db>=1.801
8
- requests>=2.32.3
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- mmcif>=0.91.0
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-
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- [dev]
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- check-manifest
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-
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- [test]
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- coverage
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