emmet-builders 0.84.7rc0__tar.gz → 0.84.7rc1__tar.gz

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Files changed (96) hide show
  1. {emmet_builders-0.84.7rc0/emmet_builders.egg-info → emmet_builders-0.84.7rc1}/PKG-INFO +1 -1
  2. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1/emmet_builders.egg-info}/PKG-INFO +1 -1
  3. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.10.txt +17 -44
  4. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.10_extras.txt +25 -52
  5. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.11.txt +17 -44
  6. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.11_extras.txt +25 -52
  7. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/MANIFEST.in +0 -0
  8. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/__init__.py +0 -0
  9. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/abinit/__init__.py +0 -0
  10. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/abinit/phonon.py +0 -0
  11. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/abinit/sound_velocity.py +0 -0
  12. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/feff/__init__.py +0 -0
  13. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/feff/xas.py +0 -0
  14. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/__init__.py +0 -0
  15. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/absorption_spectrum.py +0 -0
  16. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/alloys.py +0 -0
  17. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/basic_descriptors.py +0 -0
  18. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/bonds.py +0 -0
  19. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/chemenv.py +0 -0
  20. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/corrected_entries.py +0 -0
  21. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/dielectric.py +0 -0
  22. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/elasticity.py +0 -0
  23. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/electrodes.py +0 -0
  24. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/electronic_structure.py +0 -0
  25. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/magnetism.py +0 -0
  26. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/ml.py +0 -0
  27. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/optimade.py +0 -0
  28. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/oxidation_states.py +0 -0
  29. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/piezoelectric.py +0 -0
  30. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/provenance.py +0 -0
  31. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/robocrys.py +0 -0
  32. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/similarity.py +0 -0
  33. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/substrates.py +0 -0
  34. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/summary.py +0 -0
  35. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/thermo.py +0 -0
  36. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/matscholar/missing_compositions.py +0 -0
  37. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/mobility/__init__.py +0 -0
  38. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/mobility/migration_graph.py +0 -0
  39. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/__init__.py +0 -0
  40. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/atomic.py +0 -0
  41. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/bonds.py +0 -0
  42. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/electric.py +0 -0
  43. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/metal_binding.py +0 -0
  44. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/orbitals.py +0 -0
  45. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/redox.py +0 -0
  46. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/summary.py +0 -0
  47. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/thermo.py +0 -0
  48. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/trajectory.py +0 -0
  49. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/vibration.py +0 -0
  50. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/qchem/__init__.py +0 -0
  51. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/qchem/molecules.py +0 -0
  52. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/settings.py +0 -0
  53. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/utils.py +0 -0
  54. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/__init__.py +0 -0
  55. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/materials.py +0 -0
  56. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  57. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/task_validator.py +0 -0
  58. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/SOURCES.txt +0 -0
  59. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/dependency_links.txt +0 -0
  60. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/not-zip-safe +0 -0
  61. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/requires.txt +0 -0
  62. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/top_level.txt +0 -0
  63. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/deployment.txt +0 -0
  64. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/setup.cfg +0 -0
  65. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/setup.py +0 -0
  66. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/__init__.py +0 -0
  67. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/conftest.py +0 -0
  68. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/__init__.py +0 -0
  69. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_atomic.py +0 -0
  70. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_bonds.py +0 -0
  71. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_electric.py +0 -0
  72. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_metal_binding.py +0 -0
  73. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_orbitals.py +0 -0
  74. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_redox.py +0 -0
  75. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_summary.py +0 -0
  76. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_thermo.py +0 -0
  77. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_trajectory.py +0 -0
  78. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_vibration.py +0 -0
  79. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_absorption.py +0 -0
  80. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_basic_descriptors.py +0 -0
  81. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_chemenv.py +0 -0
  82. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_corrected_entries_thermo.py +0 -0
  83. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_dielectric.py +0 -0
  84. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_elasticity.py +0 -0
  85. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_electronic_structure.py +0 -0
  86. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_magnetism.py +0 -0
  87. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_materials.py +0 -0
  88. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_ml.py +0 -0
  89. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_mobility.py +0 -0
  90. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_oxidation.py +0 -0
  91. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_piezoelectric.py +0 -0
  92. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_qchem.py +0 -0
  93. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_similarity.py +0 -0
  94. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_summary.py +0 -0
  95. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_utils.py +0 -0
  96. {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_vasp.py +0 -0
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: emmet-builders
3
- Version: 0.84.7rc0
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+ Version: 0.84.7rc1
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
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: emmet-builders
3
- Version: 0.84.7rc0
3
+ Version: 0.84.7rc1
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
@@ -19,9 +19,9 @@ attrs==25.3.0
19
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  # referencing
20
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  bcrypt==4.3.0
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  # via paramiko
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- boto3==1.37.23
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+ boto3==1.37.26
23
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  # via maggma
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- botocore==1.37.23
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+ botocore==1.37.26
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  # via
26
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  # boto3
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  # s3transfer
@@ -43,24 +43,20 @@ dnspython==2.7.0
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  # via
44
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  # maggma
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  # pymongo
46
- emmet-core[all]==0.84.5
47
- # via
48
- # emmet-builders (setup.py)
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- # mp-api
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+ emmet-core[all]==0.84.6
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+ # via emmet-builders (setup.py)
50
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  exceptiongroup==1.2.2
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  # via pytest
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  filelock==3.18.0
53
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  # via mdanalysis
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- fonttools==4.56.0
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+ fonttools==4.57.0
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  # via matplotlib
56
- fsspec==2025.3.1
54
+ fsspec==2025.3.2
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  # via matcalc
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  griddataformats==1.0.2
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  # via mdanalysis
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  h5py==3.13.0
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- # via
62
- # phono3py
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- # phonopy
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+ # via phonopy
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  idna==3.10
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  # via requests
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  imageio==2.37.0
@@ -93,10 +89,8 @@ latexcodec==3.0.0
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  lazy-loader==0.4
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  # via scikit-image
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  maggma==0.71.5
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- # via
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- # emmet-builders (setup.py)
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- # mp-api
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- matcalc==0.3.2
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+ # via emmet-builders (setup.py)
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+ matcalc==0.3.1
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  # via emmet-core
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  matminer==0.9.3
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  # via
@@ -106,7 +100,6 @@ matplotlib==3.10.1
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  # via
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  # ase
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  # mdanalysis
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- # phono3py
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  # phonopy
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  # pymatgen
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  # seaborn
@@ -127,13 +120,10 @@ monty==2025.3.3
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  # emmet-core
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  # maggma
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  # matminer
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- # mp-api
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  # pymatgen
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  # robocrys
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  more-itertools==10.6.0
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  # via inflect
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- mp-api==0.45.3
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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
@@ -144,8 +134,7 @@ 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==1.32.0
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+ narwhals==1.33.0
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  # via plotly
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  networkx==3.4.2
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  # via
@@ -156,7 +145,6 @@ numpy==1.26.4
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  # via
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  # ase
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  # contourpy
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- # emmet-core
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  # griddataformats
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  # h5py
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  # imageio
@@ -169,7 +157,6 @@ numpy==1.26.4
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  # mrcfile
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  # pandas
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  # patsy
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- # phono3py
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  # phonopy
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  # pymatgen
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  # pymatgen-analysis-defects
@@ -213,12 +200,8 @@ paramiko==3.5.1
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  # via sshtunnel
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  patsy==1.0.1
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  # via statsmodels
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- phono3py==3.15.0
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- # via matcalc
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  phonopy==2.38.0
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- # via
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- # matcalc
221
- # phono3py
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+ # via matcalc
222
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  pillow==11.1.0
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  # via
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  # imageio
@@ -240,12 +223,12 @@ pybtex==0.24.0
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  # robocrys
241
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  pycparser==2.22
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  # via cffi
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- pydantic==2.11.1
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+ pydantic==2.11.2
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  # via
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  # emmet-core
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  # maggma
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  # pydantic-settings
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- pydantic-core==2.33.0
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+ pydantic-core==2.33.1
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  # via pydantic
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  pydantic-settings==2.8.1
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  # via
@@ -253,12 +236,11 @@ pydantic-settings==2.8.1
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  # maggma
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  pydash==8.0.5
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  # via maggma
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- pymatgen==2025.3.10
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+ pymatgen==2025.1.9
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  # via
258
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  # emmet-core
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  # matcalc
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  # matminer
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- # mp-api
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  # mp-pyrho
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  # pymatgen-analysis-alloys
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  # pymatgen-analysis-defects
@@ -294,7 +276,6 @@ pytz==2025.2
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  # pandas
295
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  pyyaml==6.0.2
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  # via
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- # phono3py
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  # phonopy
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  # pybtex
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  pyzmq==26.3.0
@@ -308,9 +289,8 @@ referencing==0.36.2
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  requests==2.32.3
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  # via
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  # matminer
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- # mp-api
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  # pymatgen
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- robocrys==0.2.10
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+ robocrys==0.2.11
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  # via emmet-core
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  rpds-py==0.24.0
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  # via
@@ -337,7 +317,6 @@ scipy==1.15.2
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  # ase
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  # griddataformats
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  # mdanalysis
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- # phono3py
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  # pymatgen
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  # robocrys
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  # scikit-image
@@ -351,21 +330,18 @@ seekpath==2.1.0
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  # via emmet-core
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  sentinels==1.0.0
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  # via mongomock
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- shapely==2.0.7
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+ shapely==2.1.0
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  # via pymatgen-analysis-alloys
356
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  six==1.17.0
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  # via
358
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  # pybtex
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  # python-dateutil
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- smart-open==7.1.0
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- # via mp-api
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  solvation-analysis==0.4.1
363
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  # via
364
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  # emmet-builders (setup.py)
365
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  # emmet-core
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  spglib==2.6.0
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  # via
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- # phono3py
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  # phonopy
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  # pymatgen
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  # robocrys
@@ -399,10 +375,9 @@ tqdm==4.67.1
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  # pymatgen
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  typeguard==4.4.2
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  # via inflect
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- typing-extensions==4.13.0
378
+ typing-extensions==4.13.1
403
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  # via
404
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  # emmet-core
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- # mp-api
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  # pydantic
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  # pydantic-core
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  # pydash
@@ -420,8 +395,6 @@ urllib3==2.3.0
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  # via
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  # botocore
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  # requests
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- wrapt==1.17.2
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- # via smart-open
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398
 
426
399
  # The following packages are considered to be unsafe in a requirements file:
427
400
  # setuptools
@@ -6,7 +6,7 @@
6
6
  #
7
7
  aiohappyeyeballs==2.6.1
8
8
  # via aiohttp
9
- aiohttp==3.11.14
9
+ aiohttp==3.11.16
10
10
  # via fsspec
11
11
  aioitertools==0.12.0
12
12
  # via maggma
@@ -30,9 +30,9 @@ attrs==25.3.0
30
30
  # referencing
31
31
  bcrypt==4.3.0
32
32
  # via paramiko
33
- boto3==1.37.23
33
+ boto3==1.37.26
34
34
  # via maggma
35
- botocore==1.37.23
35
+ botocore==1.37.26
36
36
  # via
37
37
  # boto3
38
38
  # s3transfer
@@ -76,10 +76,8 @@ dnspython==2.7.0
76
76
  # via
77
77
  # maggma
78
78
  # pymongo
79
- emmet-core[all,ml]==0.84.5
80
- # via
81
- # emmet-builders (setup.py)
82
- # mp-api
79
+ emmet-core[all,ml]==0.84.6
80
+ # via emmet-builders (setup.py)
83
81
  exceptiongroup==1.2.2
84
82
  # via pytest
85
83
  filelock==3.18.0
@@ -89,13 +87,13 @@ filelock==3.18.0
89
87
  # virtualenv
90
88
  flake8==7.2.0
91
89
  # via emmet-builders (setup.py)
92
- fonttools==4.56.0
90
+ fonttools==4.57.0
93
91
  # via matplotlib
94
92
  frozenlist==1.5.0
95
93
  # via
96
94
  # aiohttp
97
95
  # aiosignal
98
- fsspec[http]==2025.3.1
96
+ fsspec[http]==2025.3.2
99
97
  # via
100
98
  # lightning
101
99
  # matcalc
@@ -105,12 +103,10 @@ ghp-import==2.1.0
105
103
  # via mkdocs
106
104
  griddataformats==1.0.2
107
105
  # via mdanalysis
108
- griffe==1.7.1
106
+ griffe==1.7.2
109
107
  # via mkdocstrings-python
110
108
  h5py==3.13.0
111
- # via
112
- # phono3py
113
- # phonopy
109
+ # via phonopy
114
110
  htmlmin2==0.1.13
115
111
  # via mkdocs-minify-plugin
116
112
  identify==2.6.9
@@ -159,7 +155,7 @@ lazy-loader==0.4
159
155
  # via scikit-image
160
156
  lightning==2.5.1
161
157
  # via matgl
162
- lightning-utilities==0.14.2
158
+ lightning-utilities==0.14.3
163
159
  # via
164
160
  # lightning
165
161
  # pytorch-lightning
@@ -167,9 +163,7 @@ lightning-utilities==0.14.2
167
163
  livereload==2.7.1
168
164
  # via emmet-builders (setup.py)
169
165
  maggma==0.71.5
170
- # via
171
- # emmet-builders (setup.py)
172
- # mp-api
166
+ # via emmet-builders (setup.py)
173
167
  markdown==3.7
174
168
  # via
175
169
  # mkdocs
@@ -183,7 +177,7 @@ markupsafe==3.0.2
183
177
  # mkdocs
184
178
  # mkdocs-autorefs
185
179
  # mkdocstrings
186
- matcalc==0.3.2
180
+ matcalc==0.3.1
187
181
  # via emmet-core
188
182
  matgl==1.1.3
189
183
  # via emmet-core
@@ -195,7 +189,6 @@ matplotlib==3.10.1
195
189
  # via
196
190
  # ase
197
191
  # mdanalysis
198
- # phono3py
199
192
  # phonopy
200
193
  # pymatgen
201
194
  # seaborn
@@ -241,11 +234,11 @@ mkdocs-material-extensions==1.3.1
241
234
  # mkdocs-material
242
235
  mkdocs-minify-plugin==0.8.0
243
236
  # via emmet-builders (setup.py)
244
- mkdocstrings[python]==0.29.0
237
+ mkdocstrings[python]==0.29.1
245
238
  # via
246
239
  # emmet-builders (setup.py)
247
240
  # mkdocstrings-python
248
- mkdocstrings-python==1.16.8
241
+ mkdocstrings-python==1.16.10
249
242
  # via mkdocstrings
250
243
  mmtf-python==1.1.3
251
244
  # via mdanalysis
@@ -256,13 +249,10 @@ monty==2025.3.3
256
249
  # emmet-core
257
250
  # maggma
258
251
  # matminer
259
- # mp-api
260
252
  # pymatgen
261
253
  # robocrys
262
254
  more-itertools==10.6.0
263
255
  # via inflect
264
- mp-api==0.45.3
265
- # via robocrys
266
256
  mp-pyrho==0.4.5
267
257
  # via pymatgen-analysis-defects
268
258
  mpmath==1.3.0
@@ -273,7 +263,6 @@ msgpack==1.1.0
273
263
  # via
274
264
  # maggma
275
265
  # mmtf-python
276
- # mp-api
277
266
  multidict==6.2.0
278
267
  # via
279
268
  # aiohttp
@@ -284,7 +273,7 @@ mypy-extensions==1.0.0
284
273
  # via
285
274
  # emmet-builders (setup.py)
286
275
  # mypy
287
- narwhals==1.32.0
276
+ narwhals==1.33.0
288
277
  # via plotly
289
278
  natsort==8.4.0
290
279
  # via mkdocs-awesome-pages-plugin
@@ -303,7 +292,6 @@ numpy==1.26.4
303
292
  # chgnet
304
293
  # contourpy
305
294
  # dgl
306
- # emmet-core
307
295
  # griddataformats
308
296
  # h5py
309
297
  # imageio
@@ -316,7 +304,6 @@ numpy==1.26.4
316
304
  # mrcfile
317
305
  # pandas
318
306
  # patsy
319
- # phono3py
320
307
  # phonopy
321
308
  # pymatgen
322
309
  # pymatgen-analysis-defects
@@ -405,12 +392,8 @@ pathspec==0.12.1
405
392
  # via mkdocs
406
393
  patsy==1.0.1
407
394
  # via statsmodels
408
- phono3py==3.15.0
409
- # via matcalc
410
395
  phonopy==2.38.0
411
- # via
412
- # matcalc
413
- # phono3py
396
+ # via matcalc
414
397
  pillow==11.1.0
415
398
  # via
416
399
  # imageio
@@ -448,13 +431,13 @@ pycodestyle==2.13.0
448
431
  # flake8
449
432
  pycparser==2.22
450
433
  # via cffi
451
- pydantic==2.11.1
434
+ pydantic==2.11.2
452
435
  # via
453
436
  # emmet-core
454
437
  # maggma
455
438
  # matgl
456
439
  # pydantic-settings
457
- pydantic-core==2.33.0
440
+ pydantic-core==2.33.1
458
441
  # via pydantic
459
442
  pydantic-settings==2.8.1
460
443
  # via
@@ -464,18 +447,17 @@ pydash==8.0.5
464
447
  # via maggma
465
448
  pydocstyle==6.3.0
466
449
  # via emmet-builders (setup.py)
467
- pyflakes==3.3.1
450
+ pyflakes==3.3.2
468
451
  # via flake8
469
452
  pygments==2.19.1
470
453
  # via mkdocs-material
471
- pymatgen==2025.3.10
454
+ pymatgen==2025.1.9
472
455
  # via
473
456
  # chgnet
474
457
  # emmet-core
475
458
  # matcalc
476
459
  # matgl
477
460
  # matminer
478
- # mp-api
479
461
  # mp-pyrho
480
462
  # pymatgen-analysis-alloys
481
463
  # pymatgen-analysis-defects
@@ -504,7 +486,7 @@ pytest==8.3.5
504
486
  # emmet-builders (setup.py)
505
487
  # pytest-cov
506
488
  # solvation-analysis
507
- pytest-cov==6.0.0
489
+ pytest-cov==6.1.0
508
490
  # via emmet-builders (setup.py)
509
491
  python-dateutil==2.9.0.post0
510
492
  # via
@@ -527,7 +509,6 @@ pyyaml==6.0.2
527
509
  # mkdocs
528
510
  # mkdocs-get-deps
529
511
  # mkdocs-markdownextradata-plugin
530
- # phono3py
531
512
  # phonopy
532
513
  # pre-commit
533
514
  # pybtex
@@ -548,10 +529,9 @@ requests==2.32.3
548
529
  # via
549
530
  # dgl
550
531
  # matminer
551
- # mp-api
552
532
  # pymatgen
553
533
  # torchdata
554
- robocrys==0.2.10
534
+ robocrys==0.2.11
555
535
  # via emmet-core
556
536
  rpds-py==0.24.0
557
537
  # via
@@ -579,7 +559,6 @@ scipy==1.15.2
579
559
  # dgl
580
560
  # griddataformats
581
561
  # mdanalysis
582
- # phono3py
583
562
  # pymatgen
584
563
  # robocrys
585
564
  # scikit-image
@@ -593,14 +572,12 @@ seekpath==2.1.0
593
572
  # via emmet-core
594
573
  sentinels==1.0.0
595
574
  # via mongomock
596
- shapely==2.0.7
575
+ shapely==2.1.0
597
576
  # via pymatgen-analysis-alloys
598
577
  six==1.17.0
599
578
  # via
600
579
  # pybtex
601
580
  # python-dateutil
602
- smart-open==7.1.0
603
- # via mp-api
604
581
  snowballstemmer==2.2.0
605
582
  # via pydocstyle
606
583
  solvation-analysis==0.4.1
@@ -609,7 +586,6 @@ solvation-analysis==0.4.1
609
586
  # emmet-core
610
587
  spglib==2.6.0
611
588
  # via
612
- # phono3py
613
589
  # phonopy
614
590
  # pymatgen
615
591
  # robocrys
@@ -678,14 +654,13 @@ types-requests==2.32.0.20250328
678
654
  # via emmet-builders (setup.py)
679
655
  types-setuptools==78.1.0.20250329
680
656
  # via emmet-builders (setup.py)
681
- typing-extensions==4.13.0
657
+ typing-extensions==4.13.1
682
658
  # via
683
659
  # chgnet
684
660
  # emmet-core
685
661
  # lightning
686
662
  # lightning-utilities
687
663
  # mkdocstrings-python
688
- # mp-api
689
664
  # multidict
690
665
  # mypy
691
666
  # pydantic
@@ -709,7 +684,7 @@ urllib3==2.3.0
709
684
  # requests
710
685
  # torchdata
711
686
  # types-requests
712
- virtualenv==20.29.3
687
+ virtualenv==20.30.0
713
688
  # via pre-commit
714
689
  watchdog==6.0.0
715
690
  # via mkdocs
@@ -717,8 +692,6 @@ wcmatch==10.0
717
692
  # via mkdocs-awesome-pages-plugin
718
693
  wincertstore==0.2.1
719
694
  # via emmet-builders (setup.py)
720
- wrapt==1.17.2
721
- # via smart-open
722
695
  yarl==1.18.3
723
696
  # via aiohttp
724
697