emmet-builders 0.84.3rc6__tar.gz → 0.84.4__tar.gz

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Files changed (96) hide show
  1. {emmet_builders-0.84.3rc6/emmet_builders.egg-info → emmet_builders-0.84.4}/PKG-INFO +1 -1
  2. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4/emmet_builders.egg-info}/PKG-INFO +1 -1
  3. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.10.txt +8 -9
  4. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.10_extras.txt +10 -11
  5. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.11.txt +8 -9
  6. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.11_extras.txt +10 -11
  7. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/MANIFEST.in +0 -0
  8. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/__init__.py +0 -0
  9. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/abinit/__init__.py +0 -0
  10. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/abinit/phonon.py +0 -0
  11. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/abinit/sound_velocity.py +0 -0
  12. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/feff/__init__.py +0 -0
  13. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/feff/xas.py +0 -0
  14. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/__init__.py +0 -0
  15. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/absorption_spectrum.py +0 -0
  16. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/alloys.py +0 -0
  17. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/basic_descriptors.py +0 -0
  18. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/bonds.py +0 -0
  19. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/chemenv.py +0 -0
  20. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/corrected_entries.py +0 -0
  21. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/dielectric.py +0 -0
  22. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/elasticity.py +0 -0
  23. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/electrodes.py +0 -0
  24. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/electronic_structure.py +0 -0
  25. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/magnetism.py +0 -0
  26. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/ml.py +0 -0
  27. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/optimade.py +0 -0
  28. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/oxidation_states.py +0 -0
  29. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/piezoelectric.py +0 -0
  30. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/provenance.py +0 -0
  31. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/robocrys.py +0 -0
  32. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/similarity.py +0 -0
  33. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/substrates.py +0 -0
  34. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/summary.py +0 -0
  35. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/materials/thermo.py +0 -0
  36. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/matscholar/missing_compositions.py +0 -0
  37. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/mobility/__init__.py +0 -0
  38. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/mobility/migration_graph.py +0 -0
  39. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/__init__.py +0 -0
  40. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/atomic.py +0 -0
  41. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/bonds.py +0 -0
  42. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/electric.py +0 -0
  43. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/metal_binding.py +0 -0
  44. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/orbitals.py +0 -0
  45. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/redox.py +0 -0
  46. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/summary.py +0 -0
  47. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/thermo.py +0 -0
  48. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/trajectory.py +0 -0
  49. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/molecules/vibration.py +0 -0
  50. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/qchem/__init__.py +0 -0
  51. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/qchem/molecules.py +0 -0
  52. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/settings.py +0 -0
  53. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/utils.py +0 -0
  54. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/vasp/__init__.py +0 -0
  55. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/vasp/materials.py +0 -0
  56. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  57. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet/builders/vasp/task_validator.py +0 -0
  58. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet_builders.egg-info/SOURCES.txt +0 -0
  59. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet_builders.egg-info/dependency_links.txt +0 -0
  60. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet_builders.egg-info/not-zip-safe +0 -0
  61. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet_builders.egg-info/requires.txt +0 -0
  62. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/emmet_builders.egg-info/top_level.txt +0 -0
  63. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/deployment.txt +0 -0
  64. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/setup.cfg +0 -0
  65. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/setup.py +0 -0
  66. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/__init__.py +0 -0
  67. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/conftest.py +0 -0
  68. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/__init__.py +0 -0
  69. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_atomic.py +0 -0
  70. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_bonds.py +0 -0
  71. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_electric.py +0 -0
  72. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_metal_binding.py +0 -0
  73. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_orbitals.py +0 -0
  74. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_redox.py +0 -0
  75. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_summary.py +0 -0
  76. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_thermo.py +0 -0
  77. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_trajectory.py +0 -0
  78. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/molecules/test_vibration.py +0 -0
  79. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_absorption.py +0 -0
  80. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_basic_descriptors.py +0 -0
  81. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_chemenv.py +0 -0
  82. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_corrected_entries_thermo.py +0 -0
  83. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_dielectric.py +0 -0
  84. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_elasticity.py +0 -0
  85. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_electronic_structure.py +0 -0
  86. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_magnetism.py +0 -0
  87. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_materials.py +0 -0
  88. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_ml.py +0 -0
  89. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_mobility.py +0 -0
  90. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_oxidation.py +0 -0
  91. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_piezoelectric.py +0 -0
  92. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_qchem.py +0 -0
  93. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_similarity.py +0 -0
  94. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_summary.py +0 -0
  95. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_utils.py +0 -0
  96. {emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/tests/test_vasp.py +0 -0
{emmet_builders-0.84.3rc6/emmet_builders.egg-info → emmet_builders-0.84.4}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.84.3rc6
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+ Version: 0.84.4
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  Summary: Builders for the Emmet Library
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  Home-page: https://github.com/materialsproject/emmet
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  Author: The Materials Project
{emmet_builders-0.84.3rc6 → emmet_builders-0.84.4/emmet_builders.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.84.3rc6
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+ Version: 0.84.4
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  Summary: Builders for the Emmet Library
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  Home-page: https://github.com/materialsproject/emmet
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  Author: The Materials Project
{emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -19,9 +19,9 @@ attrs==24.2.0
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  # referencing
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  bcrypt==4.2.1
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  # via paramiko
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- boto3==1.35.73
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+ boto3==1.35.78
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  # via maggma
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- botocore==1.35.73
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+ botocore==1.35.78
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  # via
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  # boto3
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  # s3transfer
@@ -51,7 +51,7 @@ exceptiongroup==1.2.2
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  # via pytest
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  fasteners==0.19
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  # via mdanalysis
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- fonttools==4.55.1
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+ fonttools==4.55.3
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  # via matplotlib
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  griddataformats==1.0.2
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  # via mdanalysis
@@ -123,7 +123,7 @@ mmtf-python==1.1.3
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  # via mdanalysis
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  mongomock==4.3.0
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  # via maggma
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- monty==2024.10.21
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+ monty==2024.12.10
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  # via
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  # emmet-core
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  # maggma
@@ -214,7 +214,7 @@ pathsimanalysis==1.2.0
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  # via mdanalysis
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  patsy==1.0.1
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  # via statsmodels
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- phonopy==2.31.2
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+ phonopy==2.32.0
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  # via matcalc
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  pillow==11.0.0
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  # via
@@ -308,7 +308,7 @@ requests==2.32.3
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  # pymatgen
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  robocrys==0.2.10
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  # via emmet-core
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- rpds-py==0.22.1
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+ rpds-py==0.22.3
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  # via
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  # jsonschema
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  # referencing
@@ -324,7 +324,7 @@ s3transfer==0.10.4
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  # via boto3
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  scikit-image==0.24.0
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  # via pymatgen-analysis-defects
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- scikit-learn==1.5.2
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+ scikit-learn==1.6.0
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  # via matminer
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  scipy==1.14.1
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  # via
@@ -332,7 +332,6 @@ scipy==1.14.1
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  # griddataformats
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  # mdanalysis
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  # pathsimanalysis
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- # phonopy
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  # pymatgen
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  # robocrys
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  # scikit-image
@@ -348,7 +347,7 @@ sentinels==1.0.0
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  # via mongomock
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  shapely==2.0.6
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  # via pymatgen-analysis-alloys
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- six==1.16.0
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+ six==1.17.0
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  # via
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  # pybtex
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  # python-dateutil
{emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -6,7 +6,7 @@
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  #
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  aiohappyeyeballs==2.4.4
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  # via aiohttp
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- aiohttp==3.11.9
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+ aiohttp==3.11.10
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  # via fsspec
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  aioitertools==0.12.0
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  # via maggma
@@ -30,9 +30,9 @@ attrs==24.2.0
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  # referencing
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  bcrypt==4.2.1
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  # via paramiko
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- boto3==1.35.73
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+ boto3==1.35.78
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  # via maggma
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- botocore==1.35.73
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+ botocore==1.35.78
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  # via
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  # boto3
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  # s3transfer
@@ -58,7 +58,7 @@ colorama==0.4.6
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  # via griffe
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  contourpy==1.3.1
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  # via matplotlib
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- coverage[toml]==7.6.8
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+ coverage[toml]==7.6.9
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  # via pytest-cov
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  cryptography==44.0.0
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  # via paramiko
@@ -93,7 +93,7 @@ filelock==3.16.1
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  # virtualenv
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  flake8==7.1.1
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  # via emmet-builders (setup.py)
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- fonttools==4.55.1
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+ fonttools==4.55.3
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  # via matplotlib
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  frozenlist==1.5.0
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  # via
@@ -257,7 +257,7 @@ mmtf-python==1.1.3
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  # via mdanalysis
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  mongomock==4.3.0
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  # via maggma
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- monty==2024.10.21
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+ monty==2024.12.10
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  # via
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  # emmet-core
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  # maggma
@@ -409,7 +409,7 @@ pathspec==0.12.1
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  # via mkdocs
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  patsy==1.0.1
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  # via statsmodels
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- phonopy==2.31.2
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+ phonopy==2.32.0
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  # via matcalc
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  pillow==11.0.0
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  # via
@@ -553,7 +553,7 @@ requests==2.32.3
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  # torchdata
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  robocrys==0.2.10
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  # via emmet-core
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- rpds-py==0.22.1
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+ rpds-py==0.22.3
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  # via
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  # jsonschema
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  # referencing
@@ -569,7 +569,7 @@ s3transfer==0.10.4
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  # via boto3
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  scikit-image==0.24.0
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  # via pymatgen-analysis-defects
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- scikit-learn==1.5.2
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+ scikit-learn==1.6.0
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  # via matminer
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  scipy==1.14.1
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  # via
@@ -578,7 +578,6 @@ scipy==1.14.1
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  # griddataformats
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  # mdanalysis
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  # pathsimanalysis
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- # phonopy
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  # pymatgen
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  # robocrys
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  # scikit-image
@@ -594,7 +593,7 @@ sentinels==1.0.0
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  # via mongomock
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  shapely==2.0.6
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  # via pymatgen-analysis-alloys
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- six==1.16.0
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+ six==1.17.0
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  # via
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  # pybtex
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  # python-dateutil
{emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.11.txt RENAMED
@@ -19,9 +19,9 @@ attrs==24.2.0
19
19
  # referencing
20
20
  bcrypt==4.2.1
21
21
  # via paramiko
22
- boto3==1.35.73
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+ boto3==1.35.78
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  # via maggma
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- botocore==1.35.73
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+ botocore==1.35.78
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  # via
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  # boto3
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  # s3transfer
@@ -49,7 +49,7 @@ emmet-core[all]==0.84.2
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  # mp-api
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  fasteners==0.19
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  # via mdanalysis
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- fonttools==4.55.1
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+ fonttools==4.55.3
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  # via matplotlib
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  griddataformats==1.0.2
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  # via mdanalysis
@@ -121,7 +121,7 @@ mmtf-python==1.1.3
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  # via mdanalysis
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  mongomock==4.3.0
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  # via maggma
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- monty==2024.10.21
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+ monty==2024.12.10
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  # via
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  # emmet-core
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  # maggma
@@ -212,7 +212,7 @@ pathsimanalysis==1.2.0
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  # via mdanalysis
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  patsy==1.0.1
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  # via statsmodels
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- phonopy==2.31.2
215
+ phonopy==2.32.0
216
216
  # via matcalc
217
217
  pillow==11.0.0
218
218
  # via
@@ -306,7 +306,7 @@ requests==2.32.3
306
306
  # pymatgen
307
307
  robocrys==0.2.10
308
308
  # via emmet-core
309
- rpds-py==0.22.1
309
+ rpds-py==0.22.3
310
310
  # via
311
311
  # jsonschema
312
312
  # referencing
@@ -322,7 +322,7 @@ s3transfer==0.10.4
322
322
  # via boto3
323
323
  scikit-image==0.24.0
324
324
  # via pymatgen-analysis-defects
325
- scikit-learn==1.5.2
325
+ scikit-learn==1.6.0
326
326
  # via matminer
327
327
  scipy==1.14.1
328
328
  # via
@@ -330,7 +330,6 @@ scipy==1.14.1
330
330
  # griddataformats
331
331
  # mdanalysis
332
332
  # pathsimanalysis
333
- # phonopy
334
333
  # pymatgen
335
334
  # robocrys
336
335
  # scikit-image
@@ -346,7 +345,7 @@ sentinels==1.0.0
346
345
  # via mongomock
347
346
  shapely==2.0.6
348
347
  # via pymatgen-analysis-alloys
349
- six==1.16.0
348
+ six==1.17.0
350
349
  # via
351
350
  # pybtex
352
351
  # python-dateutil
{emmet_builders-0.84.3rc6 → emmet_builders-0.84.4}/requirements/ubuntu-latest_py3.11_extras.txt RENAMED
@@ -6,7 +6,7 @@
6
6
  #
7
7
  aiohappyeyeballs==2.4.4
8
8
  # via aiohttp
9
- aiohttp==3.11.9
9
+ aiohttp==3.11.10
10
10
  # via fsspec
11
11
  aioitertools==0.12.0
12
12
  # via maggma
@@ -28,9 +28,9 @@ attrs==24.2.0
28
28
  # referencing
29
29
  bcrypt==4.2.1
30
30
  # via paramiko
31
- boto3==1.35.73
31
+ boto3==1.35.78
32
32
  # via maggma
33
- botocore==1.35.73
33
+ botocore==1.35.78
34
34
  # via
35
35
  # boto3
36
36
  # s3transfer
@@ -56,7 +56,7 @@ colorama==0.4.6
56
56
  # via griffe
57
57
  contourpy==1.3.1
58
58
  # via matplotlib
59
- coverage[toml]==7.6.8
59
+ coverage[toml]==7.6.9
60
60
  # via pytest-cov
61
61
  cryptography==44.0.0
62
62
  # via paramiko
@@ -89,7 +89,7 @@ filelock==3.16.1
89
89
  # virtualenv
90
90
  flake8==7.1.1
91
91
  # via emmet-builders (setup.py)
92
- fonttools==4.55.1
92
+ fonttools==4.55.3
93
93
  # via matplotlib
94
94
  frozenlist==1.5.0
95
95
  # via
@@ -253,7 +253,7 @@ mmtf-python==1.1.3
253
253
  # via mdanalysis
254
254
  mongomock==4.3.0
255
255
  # via maggma
256
- monty==2024.10.21
256
+ monty==2024.12.10
257
257
  # via
258
258
  # emmet-core
259
259
  # maggma
@@ -405,7 +405,7 @@ pathspec==0.12.1
405
405
  # via mkdocs
406
406
  patsy==1.0.1
407
407
  # via statsmodels
408
- phonopy==2.31.2
408
+ phonopy==2.32.0
409
409
  # via matcalc
410
410
  pillow==11.0.0
411
411
  # via
@@ -549,7 +549,7 @@ requests==2.32.3
549
549
  # torchdata
550
550
  robocrys==0.2.10
551
551
  # via emmet-core
552
- rpds-py==0.22.1
552
+ rpds-py==0.22.3
553
553
  # via
554
554
  # jsonschema
555
555
  # referencing
@@ -565,7 +565,7 @@ s3transfer==0.10.4
565
565
  # via boto3
566
566
  scikit-image==0.24.0
567
567
  # via pymatgen-analysis-defects
568
- scikit-learn==1.5.2
568
+ scikit-learn==1.6.0
569
569
  # via matminer
570
570
  scipy==1.14.1
571
571
  # via
@@ -574,7 +574,6 @@ scipy==1.14.1
574
574
  # griddataformats
575
575
  # mdanalysis
576
576
  # pathsimanalysis
577
- # phonopy
578
577
  # pymatgen
579
578
  # robocrys
580
579
  # scikit-image
@@ -590,7 +589,7 @@ sentinels==1.0.0
590
589
  # via mongomock
591
590
  shapely==2.0.6
592
591
  # via pymatgen-analysis-alloys
593
- six==1.16.0
592
+ six==1.17.0
594
593
  # via
595
594
  # pybtex
596
595
  # python-dateutil