chemparseplot 1.4.0__tar.gz → 1.4.2__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 (57) hide show
  1. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/PKG-INFO +1 -1
  2. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/_version.py +2 -2
  3. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/pyproject.toml +0 -9
  4. chemparseplot-1.4.0/chemparseplot/scripts/__init__.py +0 -3
  5. chemparseplot-1.4.0/chemparseplot/scripts/plot_gp.py +0 -732
  6. chemparseplot-1.4.0/chemparseplot/scripts/plt_neb.py +0 -423
  7. chemparseplot-1.4.0/tests/scripts/__init__.py +0 -3
  8. chemparseplot-1.4.0/tests/scripts/test_plot_gp_cli.py +0 -54
  9. chemparseplot-1.4.0/tests/scripts/test_plt_neb_cli.py +0 -54
  10. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/.gitignore +0 -0
  11. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/LICENSE +0 -0
  12. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/__init__.py +0 -0
  13. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/__init__.py +0 -0
  14. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/chemgp_hdf5.py +0 -0
  15. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/chemgp_jsonl.py +0 -0
  16. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/converter.py +0 -0
  17. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/eon/gprd.py +0 -0
  18. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/eon/minimization.py +0 -0
  19. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/eon/neb.py +0 -0
  20. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/eon/saddle_search.py +0 -0
  21. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/file_.py +0 -0
  22. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/neb_utils.py +0 -0
  23. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/orca/__init__.py +0 -0
  24. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/orca/geomscan.py +0 -0
  25. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/orca/neb/__init__.py +0 -0
  26. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/orca/neb/interp.py +0 -0
  27. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/orca/neb/opi_parser.py +0 -0
  28. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/patterns.py +0 -0
  29. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/plumed.py +0 -0
  30. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/sella/saddle_search.py +0 -0
  31. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/trajectory/__init__.py +0 -0
  32. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/trajectory/hdf5.py +0 -0
  33. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/parse/trajectory/neb.py +0 -0
  34. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/plot/__init__.py +0 -0
  35. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/plot/chemgp.py +0 -0
  36. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/plot/geomscan.py +0 -0
  37. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/plot/neb.py +0 -0
  38. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/plot/plumed.py +0 -0
  39. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/plot/structs.py +0 -0
  40. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/plot/theme.py +0 -0
  41. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/units.py +0 -0
  42. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/chemparseplot/util.py +0 -0
  43. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/readme.md +0 -0
  44. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/conftest.py +0 -0
  45. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/orca/test_geomscan.py +0 -0
  46. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/orca/test_interp.py +0 -0
  47. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/test_chemgp_hdf5.py +0 -0
  48. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/test_converter.py +0 -0
  49. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/test_neb_utils.py +0 -0
  50. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/test_patterns.py +0 -0
  51. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/test_plumed.py +0 -0
  52. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/test_trajectory_hdf5.py +0 -0
  53. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/parse/test_trajectory_neb.py +0 -0
  54. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/plot/__init__.py +0 -0
  55. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/plot/test_chemgp_utils.py +0 -0
  56. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/plot/test_neb_renderers.py +0 -0
  57. {chemparseplot-1.4.0 → chemparseplot-1.4.2}/tests/tutorials/test_chemparseplot.py +0 -0
{chemparseplot-1.4.0 → chemparseplot-1.4.2}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: chemparseplot
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- Version: 1.4.0
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+ Version: 1.4.2
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  Summary: Parsers and plotting tools for computational chemistry
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  Project-URL: Documentation, https://chemparseplot.rgoswami.me
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  Project-URL: Issues, https://github.com/HaoZeke/chemparseplot/issues
{chemparseplot-1.4.0 → chemparseplot-1.4.2}/_version.py RENAMED
@@ -28,7 +28,7 @@ version_tuple: VERSION_TUPLE
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  commit_id: COMMIT_ID
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  __commit_id__: COMMIT_ID
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- __version__ = version = '1.4.0'
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- __version_tuple__ = version_tuple = (1, 4, 0)
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+ __version__ = version = '1.4.2'
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+ __version_tuple__ = version_tuple = (1, 4, 2)
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  __commit_id__ = commit_id = None
{chemparseplot-1.4.0 → chemparseplot-1.4.2}/pyproject.toml RENAMED
@@ -148,15 +148,6 @@ ban-relative-imports = "all"
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  "chemparseplot/parse/**/*" = [
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  "PLC0415",
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  ] # deferred imports for optional deps (h5py, pandas, polars)
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- "chemparseplot/scripts/**/*" = [
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- "ARG001",
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- "E501",
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- "ICN001",
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- "PLC0415",
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- "PLR2004",
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- "S603",
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- "T201",
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- ] # PEP 723 CLI scripts with optional deps
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  "tests/**/*" = [
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  "E402",
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  "F401",
chemparseplot-1.4.0/chemparseplot/scripts/__init__.py DELETED
@@ -1,3 +0,0 @@
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- # SPDX-FileCopyrightText: 2023-present Rohit Goswami <rog32@hi.is>
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- #
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- # SPDX-License-Identifier: MIT