emmet-builders 0.84.6rc3__tar.gz → 0.84.6rc5__tar.gz

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Files changed (96) hide show
  1. {emmet_builders-0.84.6rc3/emmet_builders.egg-info → emmet_builders-0.84.6rc5}/PKG-INFO +2 -2
  2. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5/emmet_builders.egg-info}/PKG-INFO +2 -2
  3. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.10.txt +39 -38
  4. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.10_extras.txt +68 -66
  5. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.11.txt +39 -38
  6. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.11_extras.txt +67 -66
  7. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/setup.py +1 -1
  8. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_elasticity.py +1 -1
  9. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/MANIFEST.in +0 -0
  10. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/__init__.py +0 -0
  11. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/__init__.py +0 -0
  12. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/phonon.py +0 -0
  13. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/sound_velocity.py +0 -0
  14. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/feff/__init__.py +0 -0
  15. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/feff/xas.py +0 -0
  16. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/__init__.py +0 -0
  17. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/absorption_spectrum.py +0 -0
  18. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/alloys.py +0 -0
  19. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/basic_descriptors.py +0 -0
  20. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/bonds.py +0 -0
  21. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/chemenv.py +0 -0
  22. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/corrected_entries.py +0 -0
  23. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/dielectric.py +0 -0
  24. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/elasticity.py +0 -0
  25. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/electrodes.py +0 -0
  26. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/electronic_structure.py +0 -0
  27. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/magnetism.py +0 -0
  28. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/ml.py +0 -0
  29. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/optimade.py +0 -0
  30. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/oxidation_states.py +0 -0
  31. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/piezoelectric.py +0 -0
  32. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/provenance.py +0 -0
  33. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/robocrys.py +0 -0
  34. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/similarity.py +0 -0
  35. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/substrates.py +0 -0
  36. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/summary.py +0 -0
  37. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/thermo.py +0 -0
  38. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/matscholar/missing_compositions.py +0 -0
  39. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/mobility/__init__.py +0 -0
  40. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/mobility/migration_graph.py +0 -0
  41. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/__init__.py +0 -0
  42. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/atomic.py +0 -0
  43. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/bonds.py +0 -0
  44. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/electric.py +0 -0
  45. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/metal_binding.py +0 -0
  46. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/orbitals.py +0 -0
  47. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/redox.py +0 -0
  48. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/summary.py +0 -0
  49. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/thermo.py +0 -0
  50. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/trajectory.py +0 -0
  51. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/vibration.py +0 -0
  52. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/qchem/__init__.py +0 -0
  53. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/qchem/molecules.py +0 -0
  54. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/settings.py +0 -0
  55. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/utils.py +0 -0
  56. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/__init__.py +0 -0
  57. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/materials.py +0 -0
  58. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  59. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/task_validator.py +0 -0
  60. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/SOURCES.txt +0 -0
  61. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/dependency_links.txt +0 -0
  62. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/not-zip-safe +0 -0
  63. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/requires.txt +0 -0
  64. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/top_level.txt +0 -0
  65. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/deployment.txt +0 -0
  66. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/setup.cfg +0 -0
  67. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/__init__.py +0 -0
  68. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/conftest.py +0 -0
  69. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/__init__.py +0 -0
  70. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_atomic.py +0 -0
  71. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_bonds.py +0 -0
  72. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_electric.py +0 -0
  73. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_metal_binding.py +0 -0
  74. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_orbitals.py +0 -0
  75. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_redox.py +0 -0
  76. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_summary.py +0 -0
  77. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_thermo.py +0 -0
  78. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_trajectory.py +0 -0
  79. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_vibration.py +0 -0
  80. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_absorption.py +0 -0
  81. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_basic_descriptors.py +0 -0
  82. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_chemenv.py +0 -0
  83. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_corrected_entries_thermo.py +0 -0
  84. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_dielectric.py +0 -0
  85. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_electronic_structure.py +0 -0
  86. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_magnetism.py +0 -0
  87. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_materials.py +0 -0
  88. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_ml.py +0 -0
  89. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_mobility.py +0 -0
  90. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_oxidation.py +0 -0
  91. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_piezoelectric.py +0 -0
  92. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_qchem.py +0 -0
  93. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_similarity.py +0 -0
  94. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_summary.py +0 -0
  95. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_utils.py +0 -0
  96. {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_vasp.py +0 -0
@@ -1,12 +1,12 @@
1
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  Metadata-Version: 2.2
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  Name: emmet-builders
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- Version: 0.84.6rc3
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+ Version: 0.84.6rc5
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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
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  Author-email: feedback@materialsproject.org
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  License: modified BSD
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- Requires-Python: >=3.9
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+ Requires-Python: >=3.10
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  Description-Content-Type: text/markdown
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  Requires-Dist: emmet-core[all]
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  Requires-Dist: maggma>=0.57.6
@@ -1,12 +1,12 @@
1
1
  Metadata-Version: 2.2
2
2
  Name: emmet-builders
3
- Version: 0.84.6rc3
3
+ Version: 0.84.6rc5
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
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  Author-email: feedback@materialsproject.org
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  License: modified BSD
9
- Requires-Python: >=3.9
9
+ Requires-Python: >=3.10
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  Description-Content-Type: text/markdown
11
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  Requires-Dist: emmet-core[all]
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  Requires-Dist: maggma>=0.57.6
@@ -12,20 +12,20 @@ ase==3.24.0
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  # via
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  # matcalc
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  # pymatgen-analysis-diffusion
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- attrs==24.3.0
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+ attrs==25.1.0
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  # via
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  # jsonlines
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  # jsonschema
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  # referencing
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  bcrypt==4.2.1
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  # via paramiko
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- boto3==1.35.95
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+ boto3==1.36.25
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  # via maggma
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- botocore==1.35.95
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+ botocore==1.36.25
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  # via
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  # boto3
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  # s3transfer
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- certifi==2024.12.14
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+ certifi==2025.1.31
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  # via requests
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  cffi==1.17.1
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  # via
@@ -35,7 +35,7 @@ charset-normalizer==3.4.1
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  # via requests
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  contourpy==1.3.1
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  # via matplotlib
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- cryptography==44.0.0
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+ cryptography==44.0.1
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  # via paramiko
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  cycler==0.12.1
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  # via matplotlib
@@ -51,15 +51,15 @@ 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==4.55.3
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+ fonttools==4.56.0
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  # via matplotlib
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  griddataformats==1.0.2
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  # via mdanalysis
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- h5py==3.12.1
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+ h5py==3.13.0
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  # via phonopy
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  idna==3.10
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  # via requests
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- imageio==2.36.1
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+ imageio==2.37.0
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  # via scikit-image
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  inflect==7.5.0
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  # via robocrys
@@ -88,7 +88,7 @@ latexcodec==3.0.0
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  # via pybtex
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  lazy-loader==0.4
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  # via scikit-image
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- maggma==0.71.1
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+ maggma==0.71.4
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
@@ -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==2025.1.3
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+ monty==2025.1.9
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  # via
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  # emmet-core
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  # maggma
@@ -131,21 +131,23 @@ monty==2025.1.3
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  # mp-api
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  # pymatgen
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  # robocrys
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- more-itertools==10.5.0
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+ more-itertools==10.6.0
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  # via inflect
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- mp-api==0.45.1
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+ mp-api==0.45.2
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  # via robocrys
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  mp-pyrho==0.4.5
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  # via pymatgen-analysis-defects
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  mpmath==1.3.0
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  # via sympy
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- mrcfile==1.5.3
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+ mrcfile==1.5.4
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  # via griddataformats
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  msgpack==1.1.0
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  # via
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  # maggma
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  # mmtf-python
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  # mp-api
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+ narwhals==1.27.1
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+ # via plotly
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  networkx==3.4.2
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  # via
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  # pymatgen
@@ -186,7 +188,7 @@ numpy==1.26.4
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  # symfc
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  # tifffile
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  # waterdynamics
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- orjson==3.10.14
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+ orjson==3.10.15
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  # via maggma
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  packaging==24.2
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  # via
@@ -208,13 +210,13 @@ pandas==2.2.3
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  # seaborn
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  # solvation-analysis
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  # statsmodels
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- paramiko==3.5.0
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+ paramiko==3.5.1
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  # via sshtunnel
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  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==2.34.0
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+ phonopy==2.37.0
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  # via matcalc
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  pillow==11.1.0
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  # via
@@ -222,7 +224,7 @@ pillow==11.1.0
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  # matplotlib
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  # rdkit
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  # scikit-image
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- plotly==5.24.1
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+ plotly==6.0.0
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  # via
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  # pymatgen
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  # solvation-analysis
@@ -237,7 +239,7 @@ pybtex==0.24.0
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  # robocrys
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  pycparser==2.22
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  # via cffi
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- pydantic==2.10.4
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+ pydantic==2.10.6
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  # via
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  # emmet-core
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  # maggma
@@ -248,9 +250,9 @@ pydantic-settings==2.7.1
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  # via
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  # emmet-core
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  # maggma
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- pydash==8.0.4
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+ pydash==8.0.5
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  # via maggma
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- pymatgen==2024.11.13
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+ pymatgen==2025.2.18
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  # via
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  # emmet-core
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  # matcalc
@@ -263,7 +265,7 @@ pymatgen==2024.11.13
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  # robocrys
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  pymatgen-analysis-alloys==0.0.7
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  # via emmet-core
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- pymatgen-analysis-defects==2024.10.22
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+ pymatgen-analysis-defects==2025.1.18
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  # via emmet-core
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  pymatgen-analysis-diffusion==2024.7.15
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  # via emmet-core
@@ -285,7 +287,7 @@ python-dateutil==2.9.0.post0
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  # pandas
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  python-dotenv==1.0.1
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  # via pydantic-settings
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- pytz==2024.2
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+ pytz==2025.1
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  # via
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  # mongomock
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  # pandas
@@ -293,11 +295,11 @@ pyyaml==6.0.2
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  # via
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  # phonopy
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  # pybtex
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- pyzmq==26.2.0
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+ pyzmq==26.2.1
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  # via maggma
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- rdkit==2024.9.4
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+ rdkit==2024.9.5
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  # via solvation-analysis
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- referencing==0.35.1
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+ referencing==0.36.2
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  # via
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  # jsonschema
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  # jsonschema-specifications
@@ -308,7 +310,7 @@ requests==2.32.3
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  # pymatgen
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  robocrys==0.2.10
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  # via emmet-core
311
- rpds-py==0.22.3
313
+ rpds-py==0.23.0
312
314
  # via
313
315
  # jsonschema
314
316
  # referencing
@@ -320,13 +322,13 @@ ruamel-yaml==0.18.10
320
322
  # robocrys
321
323
  ruamel-yaml-clib==0.2.12
322
324
  # via ruamel-yaml
323
- s3transfer==0.10.4
325
+ s3transfer==0.11.2
324
326
  # via boto3
325
- scikit-image==0.25.0
327
+ scikit-image==0.25.2
326
328
  # via pymatgen-analysis-defects
327
- scikit-learn==1.6.0
329
+ scikit-learn==1.6.1
328
330
  # via matminer
329
- scipy==1.15.0
331
+ scipy==1.15.2
330
332
  # via
331
333
  # ase
332
334
  # griddataformats
@@ -345,7 +347,7 @@ seekpath==2.1.0
345
347
  # via emmet-core
346
348
  sentinels==1.0.0
347
349
  # via mongomock
348
- shapely==2.0.6
350
+ shapely==2.0.7
349
351
  # via pymatgen-analysis-alloys
350
352
  six==1.17.0
351
353
  # via
@@ -368,7 +370,7 @@ sshtunnel==0.4.0
368
370
  # via maggma
369
371
  statsmodels==0.14.4
370
372
  # via solvation-analysis
371
- symfc==1.2.1
373
+ symfc==1.3.3
372
374
  # via phonopy
373
375
  sympy==1.13.3
374
376
  # via
@@ -376,13 +378,11 @@ sympy==1.13.3
376
378
  # pymatgen
377
379
  tabulate==0.9.0
378
380
  # via pymatgen
379
- tenacity==9.0.0
380
- # via plotly
381
381
  threadpoolctl==3.5.0
382
382
  # via
383
383
  # mdanalysis
384
384
  # scikit-learn
385
- tifffile==2024.12.12
385
+ tifffile==2025.2.18
386
386
  # via scikit-image
387
387
  tomli==2.2.1
388
388
  # via pytest
@@ -392,7 +392,7 @@ tqdm==4.67.1
392
392
  # matminer
393
393
  # mdanalysis
394
394
  # pymatgen
395
- typeguard==4.4.1
395
+ typeguard==4.4.2
396
396
  # via inflect
397
397
  typing-extensions==4.12.2
398
398
  # via
@@ -401,8 +401,9 @@ typing-extensions==4.12.2
401
401
  # pydantic
402
402
  # pydantic-core
403
403
  # pydash
404
+ # referencing
404
405
  # typeguard
405
- tzdata==2024.2
406
+ tzdata==2025.1
406
407
  # via pandas
407
408
  uncertainties==3.2.2
408
409
  # via pymatgen
@@ -412,7 +413,7 @@ urllib3==2.3.0
412
413
  # requests
413
414
  waterdynamics==1.2.0
414
415
  # via mdanalysis
415
- wrapt==1.17.0
416
+ wrapt==1.17.2
416
417
  # via smart-open
417
418
 
418
419
  # The following packages are considered to be unsafe in a requirements file: