rowan-python 2.1.0__tar.gz → 2.1.1__tar.gz

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 (44) hide show
  1. {rowan_python-2.1.0 → rowan_python-2.1.1}/PKG-INFO +1 -1
  2. {rowan_python-2.1.0 → rowan_python-2.1.1}/docs/index.md +10 -0
  3. {rowan_python-2.1.0 → rowan_python-2.1.1}/pixi.lock +2 -2
  4. {rowan_python-2.1.0 → rowan_python-2.1.1}/pyproject.toml +1 -1
  5. {rowan_python-2.1.0 → rowan_python-2.1.1}/.envrc +0 -0
  6. {rowan_python-2.1.0 → rowan_python-2.1.1}/.github/workflows/python-publish.yml +0 -0
  7. {rowan_python-2.1.0 → rowan_python-2.1.1}/.github/workflows/test.yml +0 -0
  8. {rowan_python-2.1.0 → rowan_python-2.1.1}/.gitignore +0 -0
  9. {rowan_python-2.1.0 → rowan_python-2.1.1}/.pre-commit-config.yaml +0 -0
  10. {rowan_python-2.1.0 → rowan_python-2.1.1}/LICENSE +0 -0
  11. {rowan_python-2.1.0 → rowan_python-2.1.1}/README.md +0 -0
  12. {rowan_python-2.1.0 → rowan_python-2.1.1}/docs/images/deciduous-tree-favicon.png +0 -0
  13. {rowan_python-2.1.0 → rowan_python-2.1.1}/docs/rowan_rdkit.md +0 -0
  14. {rowan_python-2.1.0 → rowan_python-2.1.1}/docs/stylesheets/colors.css +0 -0
  15. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/PROTAC_solubility.py +0 -0
  16. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/basic_calculation_from_json.py +0 -0
  17. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/basic_calculation_with_constraint.py +0 -0
  18. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/basic_calculation_with_solvent.py +0 -0
  19. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/bde.py +0 -0
  20. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/cofolding_screen.py +0 -0
  21. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/conformer_dependent_redox.py +0 -0
  22. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/conformers.py +0 -0
  23. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/data/workflow_example.json +0 -0
  24. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/docking_screen.py +0 -0
  25. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/irc.py +0 -0
  26. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/macropka.py +0 -0
  27. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/multistage_opt.py +0 -0
  28. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/optimization.py +0 -0
  29. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/phenol_pka.py +0 -0
  30. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/pka.py +0 -0
  31. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/protein_cofolding.py +0 -0
  32. {rowan_python-2.1.0 → rowan_python-2.1.1}/examples/scan.py +0 -0
  33. {rowan_python-2.1.0 → rowan_python-2.1.1}/mkdocs.yml +0 -0
  34. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/__init__.py +0 -0
  35. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/constants.py +0 -0
  36. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/folder.py +0 -0
  37. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/project.py +0 -0
  38. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/protein.py +0 -0
  39. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/py.typed +0 -0
  40. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/rowan_rdkit/__init__.py +0 -0
  41. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/rowan_rdkit/chem_utils.py +0 -0
  42. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/user.py +0 -0
  43. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/utils.py +0 -0
  44. {rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/workflow.py +0 -0
{rowan_python-2.1.0 → rowan_python-2.1.1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: rowan-python
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- Version: 2.1.0
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+ Version: 2.1.1
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  Summary: Rowan Python Library
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  Project-URL: Homepage, https://github.com/rowansci/rowan-client
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  Project-URL: Bug Tracker, https://github.com/rowansci/rowan-client/issues
{rowan_python-2.1.0 → rowan_python-2.1.1}/docs/index.md RENAMED
@@ -38,6 +38,16 @@
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  members_order: source # show items in the order they appear in code
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  group_by_category: true # adds “Classes”, “Functions”, … headings -->
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+ ## Project Class and Functions
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+ ::: rowan.project
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+ handler: python
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+ options:
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+ show_source: false
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+ show_root_heading: false
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+ show_root_toc_entry: false
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+ members_order: source # show items in the order they appear in code
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+ group_by_category: true # adds “Classes”, “Functions”, … headings -->
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+
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  ## Utilities
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  ::: rowan.utils
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  handler: python
{rowan_python-2.1.0 → rowan_python-2.1.1}/pixi.lock RENAMED
@@ -1494,8 +1494,8 @@ packages:
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  requires_python: '>=3.8'
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  - pypi: ./
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  name: rowan-python
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- version: 2.1.0
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- sha256: c8838a78320174b0b9f997ab09b77e7c3b08a6f64e39f1aaad16c22921535ee6
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+ version: 2.1.1
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+ sha256: 73d6bc87006a2cb62e35e15b2e7cf63fe9f57221430af510ea4d83e105001d15
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  requires_dist:
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  - httpx
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  - stjames>=0.0.83
{rowan_python-2.1.0 → rowan_python-2.1.1}/pyproject.toml RENAMED
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  [project]
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  name = "rowan-python"
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- version = "2.1.0"
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+ version = "2.1.1"
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  description = "Rowan Python Library"
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  readme = "README.md"
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  requires-python = ">=3.9"
{rowan_python-2.1.0 → rowan_python-2.1.1}/.envrc RENAMED
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{rowan_python-2.1.0 → rowan_python-2.1.1}/.gitignore RENAMED
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{rowan_python-2.1.0 → rowan_python-2.1.1}/LICENSE RENAMED
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{rowan_python-2.1.0 → rowan_python-2.1.1}/README.md RENAMED
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{rowan_python-2.1.0 → rowan_python-2.1.1}/mkdocs.yml RENAMED
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{rowan_python-2.1.0 → rowan_python-2.1.1}/rowan/user.py RENAMED
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