structuretoolkit 0.0.37__tar.gz → 0.0.38__tar.gz

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Files changed (30) hide show
  1. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/PKG-INFO +6 -6
  2. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/pyproject.toml +5 -5
  3. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/_version.py +2 -2
  4. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/.gitignore +0 -0
  5. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/LICENSE +0 -0
  6. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/README.md +0 -0
  7. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/__init__.py +0 -0
  8. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/__init__.py +0 -0
  9. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/distance.py +0 -0
  10. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/dscribe.py +0 -0
  11. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/neighbors.py +0 -0
  12. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/phonopy.py +0 -0
  13. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/pyscal.py +0 -0
  14. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/snap.py +0 -0
  15. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/spatial.py +0 -0
  16. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/strain.py +0 -0
  17. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/analyse/symmetry.py +0 -0
  18. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/build/__init__.py +0 -0
  19. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/build/aimsgb.py +0 -0
  20. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/build/compound.py +0 -0
  21. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/build/mesh.py +0 -0
  22. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/build/sqs.py +0 -0
  23. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/build/surface.py +0 -0
  24. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/common/__init__.py +0 -0
  25. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/common/error.py +0 -0
  26. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/common/helper.py +0 -0
  27. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/common/phonopy.py +0 -0
  28. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/common/pymatgen.py +0 -0
  29. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/common/pyscal.py +0 -0
  30. {structuretoolkit-0.0.37 → structuretoolkit-0.0.38}/structuretoolkit/visualize.py +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: structuretoolkit
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- Version: 0.0.37
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+ Version: 0.0.38
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  Summary: build, analyse and visualise atomistic structures for materials science
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  Project-URL: Homepage, https://github.com/pyiron/structuretoolkit
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  Project-URL: Documentation, https://github.com/pyiron/structuretoolkit
@@ -48,7 +48,7 @@ Classifier: Programming Language :: Python :: 3.13
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  Classifier: Topic :: Scientific/Engineering :: Physics
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  Requires-Python: <3.14,>=3.10
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  Requires-Dist: ase<=3.26.0,>=3.20.1
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- Requires-Dist: numpy<=2.3.4,>=1.23.5
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+ Requires-Dist: numpy<=2.3.5,>=1.23.5
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  Requires-Dist: scipy<=1.16.3,>=1.15.0
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  Provides-Extra: clusters
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  Requires-Dist: scikit-learn==1.7.2; extra == 'clusters'
@@ -56,20 +56,20 @@ Provides-Extra: dscribe
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  Requires-Dist: dscribe==2.1.2; extra == 'dscribe'
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  Provides-Extra: grainboundary
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  Requires-Dist: aimsgb<=1.1.1,>=1.0.2; extra == 'grainboundary'
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- Requires-Dist: pymatgen<=2025.6.14,>=2022.2.1; extra == 'grainboundary'
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+ Requires-Dist: pymatgen<=2025.10.7,>=2022.2.1; extra == 'grainboundary'
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  Provides-Extra: matplotlib
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  Requires-Dist: matplotlib==3.10.7; extra == 'matplotlib'
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  Provides-Extra: nglview
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  Requires-Dist: nglview<=3.1.4,>=2.7.7; extra == 'nglview'
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  Provides-Extra: phonopy
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- Requires-Dist: phonopy<=2.43.6,>=2.16.2; extra == 'phonopy'
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+ Requires-Dist: phonopy<=2.44.0,>=2.16.2; extra == 'phonopy'
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  Requires-Dist: spglib<=2.6.0,>=1.16.5; extra == 'phonopy'
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  Provides-Extra: plotly
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- Requires-Dist: plotly<=6.3.1,>=4.14.3; extra == 'plotly'
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+ Requires-Dist: plotly<=6.5.0,>=4.14.3; extra == 'plotly'
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  Provides-Extra: pyscal
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  Requires-Dist: pyscal3<=3.3.0,>=3.2.5; extra == 'pyscal'
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  Provides-Extra: surface
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- Requires-Dist: pymatgen<=2025.6.14,>=2022.2.1; extra == 'surface'
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+ Requires-Dist: pymatgen<=2025.10.7,>=2022.2.1; extra == 'surface'
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  Requires-Dist: spglib<=2.6.0,>=1.16.5; extra == 'surface'
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  Provides-Extra: symmetry
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  Requires-Dist: spglib<=2.6.0,>=1.16.5; extra == 'symmetry'
@@ -25,7 +25,7 @@ classifiers = [
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  ]
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  dependencies = [
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  "ase>=3.20.1,<=3.26.0",
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- "numpy>=1.23.5,<=2.3.4",
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+ "numpy>=1.23.5,<=2.3.5",
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  "scipy>=1.15.0,<=1.16.3",
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  ]
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  dynamic = ["version"]
@@ -39,20 +39,20 @@ Repository = "https://github.com/pyiron/structuretoolkit"
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  dscribe = ["dscribe==2.1.2"]
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  grainboundary = [
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  "aimsgb>=1.0.2,<=1.1.1",
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- "pymatgen>=2022.2.1,<=2025.6.14",
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+ "pymatgen>=2022.2.1,<=2025.10.7",
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  ]
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  pyscal = ["pyscal3>=3.2.5,<=3.3.0"]
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  nglview = ["nglview>=2.7.7,<=3.1.4"]
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  matplotlib = ["matplotlib==3.10.7"]
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- plotly = ["plotly>=4.14.3,<=6.3.1"]
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+ plotly = ["plotly>=4.14.3,<=6.5.0"]
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  clusters = ["scikit-learn==1.7.2"]
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  symmetry = ["spglib>=1.16.5,<=2.6.0"]
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  surface = [
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  "spglib>=1.16.5,<=2.6.0",
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- "pymatgen>=2022.2.1,<=2025.6.14",
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+ "pymatgen>=2022.2.1,<=2025.10.7",
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  ]
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  phonopy = [
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- "phonopy>=2.16.2,<=2.43.6",
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+ "phonopy>=2.16.2,<=2.44.0",
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  "spglib>=1.16.5,<=2.6.0",
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  ]
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@@ -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 = '0.0.37'
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- __version_tuple__ = version_tuple = (0, 0, 37)
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+ __version__ = version = '0.0.38'
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+ __version_tuple__ = version_tuple = (0, 0, 38)
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  __commit_id__ = commit_id = None