structuretoolkit 0.0.16__tar.gz → 0.0.18__tar.gz

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Files changed (46) hide show
  1. {structuretoolkit-0.0.16/structuretoolkit.egg-info → structuretoolkit-0.0.18}/PKG-INFO +5 -5
  2. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/pyproject.toml +4 -4
  3. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/_version.py +3 -3
  4. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18/structuretoolkit.egg-info}/PKG-INFO +5 -5
  5. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit.egg-info/requires.txt +4 -4
  6. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/LICENSE +0 -0
  7. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/MANIFEST.in +0 -0
  8. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/README.md +0 -0
  9. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/setup.cfg +0 -0
  10. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/setup.py +0 -0
  11. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/__init__.py +0 -0
  12. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/__init__.py +0 -0
  13. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/distance.py +0 -0
  14. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/neighbors.py +0 -0
  15. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/phonopy.py +0 -0
  16. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/pyscal.py +0 -0
  17. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/spatial.py +0 -0
  18. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/strain.py +0 -0
  19. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/analyse/symmetry.py +0 -0
  20. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/build/__init__.py +0 -0
  21. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/build/aimsgb.py +0 -0
  22. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/build/compound.py +0 -0
  23. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/build/random.py +0 -0
  24. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/build/sqs.py +0 -0
  25. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/build/surface.py +0 -0
  26. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/common/__init__.py +0 -0
  27. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/common/error.py +0 -0
  28. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/common/helper.py +0 -0
  29. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/common/phonopy.py +0 -0
  30. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/common/pymatgen.py +0 -0
  31. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/common/pyscal.py +0 -0
  32. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/visualize.py +0 -0
  33. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit.egg-info/SOURCES.txt +0 -0
  34. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit.egg-info/dependency_links.txt +0 -0
  35. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit.egg-info/top_level.txt +0 -0
  36. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_aimsgb.py +0 -0
  37. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_analyse.py +0 -0
  38. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_compound.py +0 -0
  39. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_high_index_surface.py +0 -0
  40. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_neighbors.py +0 -0
  41. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_pymatgen.py +0 -0
  42. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_pyscal.py +0 -0
  43. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_pyxtal.py +0 -0
  44. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_strain.py +0 -0
  45. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_symmetry.py +0 -0
  46. {structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/tests/test_visualize.py +0 -0
{structuretoolkit-0.0.16/structuretoolkit.egg-info → structuretoolkit-0.0.18}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: structuretoolkit
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- Version: 0.0.16
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+ Version: 0.0.18
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  Summary: build, analyse and visualise atomistic structures for materials science
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  Author-email: Jan Janssen <janssen@mpie.de>
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  License: BSD 3-Clause License
@@ -50,21 +50,21 @@ Requires-Python: >=3.8
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  Description-Content-Type: text/markdown
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  License-File: LICENSE
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  Requires-Dist: ase<=3.22.1,>=3.20.1
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- Requires-Dist: numpy<=1.26.2,>=1.23.5
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- Requires-Dist: scipy<=1.11.4,>=1.9.3
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+ Requires-Dist: numpy<=1.26.3,>=1.23.5
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+ Requires-Dist: scipy<=1.12.0,>=1.9.3
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  Provides-Extra: grainboundary
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  Requires-Dist: aimsgb<=1.1.0,>=1.0.2; extra == "grainboundary"
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  Requires-Dist: pymatgen<=2023.12.18,>=2022.2.1; extra == "grainboundary"
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  Provides-Extra: pyscal
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  Requires-Dist: pyscal2==2.10.18; extra == "pyscal"
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  Provides-Extra: nglview
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- Requires-Dist: nglview<=3.0.8,>=2.7.7; extra == "nglview"
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+ Requires-Dist: nglview<=3.1.1,>=2.7.7; extra == "nglview"
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  Provides-Extra: matplotlib
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  Requires-Dist: matplotlib==3.8.2; extra == "matplotlib"
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  Provides-Extra: plotly
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  Requires-Dist: plotly<=5.18.0,>=4.14.3; extra == "plotly"
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  Provides-Extra: clusters
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- Requires-Dist: scikit-learn==1.3.2; extra == "clusters"
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+ Requires-Dist: scikit-learn==1.4.0; extra == "clusters"
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  Provides-Extra: symmetry
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  Requires-Dist: spglib<=2.2.0,>=1.16.5; extra == "symmetry"
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  Provides-Extra: surface
{structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/pyproject.toml RENAMED
@@ -25,8 +25,8 @@ classifiers = [
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  ]
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  dependencies = [
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  "ase>=3.20.1,<=3.22.1",
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- "numpy>=1.23.5,<=1.26.2",
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- "scipy>=1.9.3,<=1.11.4",
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+ "numpy>=1.23.5,<=1.26.3",
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+ "scipy>=1.9.3,<=1.12.0",
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  ]
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  dynamic = ["version"]
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@@ -41,10 +41,10 @@ grainboundary = [
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  "pymatgen>=2022.2.1,<=2023.12.18",
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  ]
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  pyscal = ["pyscal2==2.10.18"]
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- nglview = ["nglview>=2.7.7,<=3.0.8"]
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+ nglview = ["nglview>=2.7.7,<=3.1.1"]
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  matplotlib = ["matplotlib==3.8.2"]
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  plotly = ["plotly>=4.14.3,<=5.18.0"]
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- clusters = ["scikit-learn==1.3.2"]
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+ clusters = ["scikit-learn==1.4.0"]
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  symmetry = ["spglib>=1.16.5,<=2.2.0"]
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  surface = [
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  "spglib>=1.16.5,<=2.2.0",
{structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit/_version.py RENAMED
@@ -8,11 +8,11 @@ import json
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  version_json = '''
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  {
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- "date": "2023-12-25T18:34:15+0100",
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+ "date": "2024-01-22T09:34:21+0100",
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  "dirty": true,
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  "error": null,
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- "full-revisionid": "7481449aeb2c4d46f47dafd9cd563e50755a1920",
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- "version": "0.0.16"
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+ "full-revisionid": "b27285c3dda8921aa6c6e0b85a3f0be5838b2732",
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+ "version": "0.0.18"
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  }
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  ''' # END VERSION_JSON
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{structuretoolkit-0.0.16 → structuretoolkit-0.0.18/structuretoolkit.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: structuretoolkit
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- Version: 0.0.16
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+ Version: 0.0.18
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  Summary: build, analyse and visualise atomistic structures for materials science
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  Author-email: Jan Janssen <janssen@mpie.de>
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  License: BSD 3-Clause License
@@ -50,21 +50,21 @@ Requires-Python: >=3.8
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  Description-Content-Type: text/markdown
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  License-File: LICENSE
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  Requires-Dist: ase<=3.22.1,>=3.20.1
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- Requires-Dist: numpy<=1.26.2,>=1.23.5
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- Requires-Dist: scipy<=1.11.4,>=1.9.3
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+ Requires-Dist: numpy<=1.26.3,>=1.23.5
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+ Requires-Dist: scipy<=1.12.0,>=1.9.3
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  Provides-Extra: grainboundary
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  Requires-Dist: aimsgb<=1.1.0,>=1.0.2; extra == "grainboundary"
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  Requires-Dist: pymatgen<=2023.12.18,>=2022.2.1; extra == "grainboundary"
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  Provides-Extra: pyscal
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  Requires-Dist: pyscal2==2.10.18; extra == "pyscal"
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  Provides-Extra: nglview
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- Requires-Dist: nglview<=3.0.8,>=2.7.7; extra == "nglview"
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+ Requires-Dist: nglview<=3.1.1,>=2.7.7; extra == "nglview"
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  Provides-Extra: matplotlib
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  Requires-Dist: matplotlib==3.8.2; extra == "matplotlib"
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  Provides-Extra: plotly
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  Requires-Dist: plotly<=5.18.0,>=4.14.3; extra == "plotly"
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  Provides-Extra: clusters
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- Requires-Dist: scikit-learn==1.3.2; extra == "clusters"
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+ Requires-Dist: scikit-learn==1.4.0; extra == "clusters"
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  Provides-Extra: symmetry
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  Requires-Dist: spglib<=2.2.0,>=1.16.5; extra == "symmetry"
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  Provides-Extra: surface
{structuretoolkit-0.0.16 → structuretoolkit-0.0.18}/structuretoolkit.egg-info/requires.txt RENAMED
@@ -1,9 +1,9 @@
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  ase<=3.22.1,>=3.20.1
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- numpy<=1.26.2,>=1.23.5
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- scipy<=1.11.4,>=1.9.3
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+ numpy<=1.26.3,>=1.23.5
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+ scipy<=1.12.0,>=1.9.3
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  [clusters]
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- scikit-learn==1.3.2
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+ scikit-learn==1.4.0
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  [grainboundary]
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  aimsgb<=1.1.0,>=1.0.2
@@ -13,7 +13,7 @@ pymatgen<=2023.12.18,>=2022.2.1
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  matplotlib==3.8.2
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  [nglview]
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- nglview<=3.0.8,>=2.7.7
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+ nglview<=3.1.1,>=2.7.7
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  [phonopy]
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  phonopy<=2.21.0,>=2.16.2