emmet-builders 0.84.4__tar.gz → 0.84.6rc0__tar.gz

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Files changed (96) hide show
  1. {emmet_builders-0.84.4/emmet_builders.egg-info → emmet_builders-0.84.6rc0}/PKG-INFO +1 -1
  2. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0/emmet_builders.egg-info}/PKG-INFO +1 -1
  3. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.10.txt +14 -19
  4. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.10_extras.txt +18 -23
  5. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.11.txt +14 -19
  6. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.11_extras.txt +18 -23
  7. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/MANIFEST.in +0 -0
  8. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/__init__.py +0 -0
  9. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/abinit/__init__.py +0 -0
  10. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/abinit/phonon.py +0 -0
  11. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/abinit/sound_velocity.py +0 -0
  12. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/feff/__init__.py +0 -0
  13. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/feff/xas.py +0 -0
  14. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/__init__.py +0 -0
  15. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/absorption_spectrum.py +0 -0
  16. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/alloys.py +0 -0
  17. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/basic_descriptors.py +0 -0
  18. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/bonds.py +0 -0
  19. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/chemenv.py +0 -0
  20. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/corrected_entries.py +0 -0
  21. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/dielectric.py +0 -0
  22. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/elasticity.py +0 -0
  23. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/electrodes.py +0 -0
  24. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/electronic_structure.py +0 -0
  25. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/magnetism.py +0 -0
  26. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/ml.py +0 -0
  27. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/optimade.py +0 -0
  28. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/oxidation_states.py +0 -0
  29. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/piezoelectric.py +0 -0
  30. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/provenance.py +0 -0
  31. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/robocrys.py +0 -0
  32. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/similarity.py +0 -0
  33. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/substrates.py +0 -0
  34. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/summary.py +0 -0
  35. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/materials/thermo.py +0 -0
  36. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/matscholar/missing_compositions.py +0 -0
  37. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/mobility/__init__.py +0 -0
  38. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/mobility/migration_graph.py +0 -0
  39. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/__init__.py +0 -0
  40. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/atomic.py +0 -0
  41. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/bonds.py +0 -0
  42. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/electric.py +0 -0
  43. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/metal_binding.py +0 -0
  44. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/orbitals.py +0 -0
  45. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/redox.py +0 -0
  46. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/summary.py +0 -0
  47. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/thermo.py +0 -0
  48. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/trajectory.py +0 -0
  49. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/molecules/vibration.py +0 -0
  50. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/qchem/__init__.py +0 -0
  51. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/qchem/molecules.py +0 -0
  52. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/settings.py +0 -0
  53. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/utils.py +0 -0
  54. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/vasp/__init__.py +0 -0
  55. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/vasp/materials.py +0 -0
  56. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  57. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet/builders/vasp/task_validator.py +0 -0
  58. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet_builders.egg-info/SOURCES.txt +0 -0
  59. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet_builders.egg-info/dependency_links.txt +0 -0
  60. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet_builders.egg-info/not-zip-safe +0 -0
  61. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet_builders.egg-info/requires.txt +0 -0
  62. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/emmet_builders.egg-info/top_level.txt +0 -0
  63. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/deployment.txt +0 -0
  64. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/setup.cfg +0 -0
  65. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/setup.py +0 -0
  66. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/__init__.py +0 -0
  67. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/conftest.py +0 -0
  68. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/__init__.py +0 -0
  69. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_atomic.py +0 -0
  70. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_bonds.py +0 -0
  71. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_electric.py +0 -0
  72. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_metal_binding.py +0 -0
  73. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_orbitals.py +0 -0
  74. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_redox.py +0 -0
  75. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_summary.py +0 -0
  76. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_thermo.py +0 -0
  77. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_trajectory.py +0 -0
  78. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/molecules/test_vibration.py +0 -0
  79. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_absorption.py +0 -0
  80. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_basic_descriptors.py +0 -0
  81. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_chemenv.py +0 -0
  82. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_corrected_entries_thermo.py +0 -0
  83. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_dielectric.py +0 -0
  84. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_elasticity.py +0 -0
  85. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_electronic_structure.py +0 -0
  86. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_magnetism.py +0 -0
  87. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_materials.py +0 -0
  88. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_ml.py +0 -0
  89. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_mobility.py +0 -0
  90. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_oxidation.py +0 -0
  91. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_piezoelectric.py +0 -0
  92. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_qchem.py +0 -0
  93. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_similarity.py +0 -0
  94. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_summary.py +0 -0
  95. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_utils.py +0 -0
  96. {emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/tests/test_vasp.py +0 -0
{emmet_builders-0.84.4/emmet_builders.egg-info → emmet_builders-0.84.6rc0}/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: 0.84.4
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+ Version: 0.84.6rc0
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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-0.84.4 → emmet_builders-0.84.6rc0/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: 0.84.4
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+ Version: 0.84.6rc0
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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-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -12,20 +12,20 @@ ase==3.23.0
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  # via
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  # matcalc
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  # pymatgen-analysis-diffusion
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- attrs==24.2.0
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+ attrs==24.3.0
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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==1.35.78
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+ boto3==1.35.84
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  # via maggma
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- botocore==1.35.78
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+ botocore==1.35.84
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  # via
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  # boto3
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  # s3transfer
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- certifi==2024.8.30
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+ certifi==2024.12.14
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  # via requests
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  cffi==1.17.1
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  # via
@@ -43,7 +43,7 @@ dnspython==2.7.0
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  # via
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  # maggma
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  # pymongo
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- emmet-core[all]==0.84.2
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+ emmet-core[all]==0.84.5
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
@@ -98,7 +98,7 @@ matminer==0.9.3
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  # via
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  # emmet-builders (setup.py)
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  # robocrys
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- matplotlib==3.9.3
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+ matplotlib==3.10.0
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  # via
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  # ase
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  # mdanalysis
@@ -133,7 +133,7 @@ monty==2024.12.10
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  # robocrys
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  more-itertools==10.5.0
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  # via inflect
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- mp-api==0.43.0
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+ mp-api==0.44.0
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  # via robocrys
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  mp-pyrho==0.4.5
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  # via pymatgen-analysis-defects
@@ -183,7 +183,6 @@ numpy==1.26.4
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  # solvation-analysis
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  # spglib
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  # statsmodels
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- # symfc
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  # tifffile
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  # waterdynamics
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  orjson==3.10.12
@@ -214,7 +213,7 @@ 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==2.32.0
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+ phonopy==2.33.3
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  # via matcalc
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  pillow==11.0.0
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  # via
@@ -237,14 +236,14 @@ 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==2.10.3
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+ pydantic==2.10.4
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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==2.27.1
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+ pydantic-core==2.27.2
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  # via pydantic
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- pydantic-settings==2.6.1
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+ pydantic-settings==2.7.0
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  # via
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  # emmet-core
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  # maggma
@@ -322,7 +321,7 @@ ruamel-yaml-clib==0.2.12
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  # via ruamel-yaml
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  s3transfer==0.10.4
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  # via boto3
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- scikit-image==0.24.0
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+ scikit-image==0.25.0
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  # via pymatgen-analysis-defects
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  scikit-learn==1.6.0
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  # via matminer
@@ -338,7 +337,6 @@ scipy==1.14.1
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  # scikit-learn
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  # solvation-analysis
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  # statsmodels
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- # symfc
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  seaborn==0.13.2
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  # via pymatgen-analysis-diffusion
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  seekpath==2.1.0
@@ -351,7 +349,7 @@ six==1.17.0
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  # via
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  # pybtex
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  # python-dateutil
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- smart-open==7.0.5
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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
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  # via
@@ -363,13 +361,10 @@ spglib==2.5.0
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  # pymatgen
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  # robocrys
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  # seekpath
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- # symfc
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  sshtunnel==0.4.0
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  # via maggma
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  statsmodels==0.14.4
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  # via solvation-analysis
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- symfc==1.1.6
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- # via phonopy
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  sympy==1.13.3
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  # via
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  # matminer
@@ -382,7 +377,7 @@ threadpoolctl==3.5.0
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  # via
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  # mdanalysis
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  # scikit-learn
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- tifffile==2024.9.20
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+ tifffile==2024.12.12
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  # via scikit-image
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  tomli==2.2.1
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  # via pytest
{emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -6,11 +6,11 @@
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  #
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  aiohappyeyeballs==2.4.4
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  # via aiohttp
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- aiohttp==3.11.10
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+ aiohttp==3.11.11
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  # via fsspec
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  aioitertools==0.12.0
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  # via maggma
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- aiosignal==1.3.1
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+ aiosignal==1.3.2
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  # via aiohttp
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  annotated-types==0.7.0
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  # via pydantic
@@ -22,7 +22,7 @@ ase==3.23.0
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  # pymatgen-analysis-diffusion
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  async-timeout==5.0.1
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  # via aiohttp
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- attrs==24.2.0
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+ attrs==24.3.0
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  # via
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  # aiohttp
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  # jsonlines
@@ -30,15 +30,15 @@ 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==1.35.78
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+ boto3==1.35.84
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  # via maggma
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- botocore==1.35.78
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+ botocore==1.35.84
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  # via
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  # boto3
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  # s3transfer
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  bracex==2.5.post1
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  # via wcmatch
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- certifi==2024.8.30
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+ certifi==2024.12.14
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  # via requests
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  cffi==1.17.1
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  # via
@@ -78,7 +78,7 @@ dnspython==2.7.0
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  # via
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  # maggma
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  # pymongo
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- emmet-core[all,ml]==0.84.2
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+ emmet-core[all,ml]==0.84.5
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
@@ -165,7 +165,7 @@ lightning-utilities==0.11.9
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  # lightning
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  # pytorch-lightning
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  # torchmetrics
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- livereload==2.7.0
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+ livereload==2.7.1
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  # via emmet-builders (setup.py)
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  maggma==0.70.0
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  # via
@@ -192,7 +192,7 @@ matminer==0.9.3
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  # via
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  # emmet-builders (setup.py)
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  # robocrys
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- matplotlib==3.9.3
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+ matplotlib==3.10.0
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  # via
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  # ase
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  # mdanalysis
@@ -267,7 +267,7 @@ monty==2024.12.10
267
267
  # robocrys
268
268
  more-itertools==10.5.0
269
269
  # via inflect
270
- mp-api==0.43.0
270
+ mp-api==0.44.0
271
271
  # via robocrys
272
272
  mp-pyrho==0.4.5
273
273
  # via pymatgen-analysis-defects
@@ -335,7 +335,6 @@ numpy==1.26.4
335
335
  # solvation-analysis
336
336
  # spglib
337
337
  # statsmodels
338
- # symfc
339
338
  # tidynamics
340
339
  # tifffile
341
340
  # torchmetrics
@@ -409,7 +408,7 @@ pathspec==0.12.1
409
408
  # via mkdocs
410
409
  patsy==1.0.1
411
410
  # via statsmodels
412
- phonopy==2.32.0
411
+ phonopy==2.33.3
413
412
  # via matcalc
414
413
  pillow==11.0.0
415
414
  # via
@@ -434,7 +433,7 @@ propcache==0.2.1
434
433
  # via
435
434
  # aiohttp
436
435
  # yarl
437
- psutil==6.1.0
436
+ psutil==6.1.1
438
437
  # via dgl
439
438
  pubchempy==1.0.4
440
439
  # via robocrys
@@ -449,15 +448,15 @@ pycodestyle==2.12.1
449
448
  # flake8
450
449
  pycparser==2.22
451
450
  # via cffi
452
- pydantic==2.10.3
451
+ pydantic==2.10.4
453
452
  # via
454
453
  # emmet-core
455
454
  # maggma
456
455
  # matgl
457
456
  # pydantic-settings
458
- pydantic-core==2.27.1
457
+ pydantic-core==2.27.2
459
458
  # via pydantic
460
- pydantic-settings==2.6.1
459
+ pydantic-settings==2.7.0
461
460
  # via
462
461
  # emmet-core
463
462
  # maggma
@@ -567,7 +566,7 @@ ruamel-yaml-clib==0.2.12
567
566
  # via ruamel-yaml
568
567
  s3transfer==0.10.4
569
568
  # via boto3
570
- scikit-image==0.24.0
569
+ scikit-image==0.25.0
571
570
  # via pymatgen-analysis-defects
572
571
  scikit-learn==1.6.0
573
572
  # via matminer
@@ -584,7 +583,6 @@ scipy==1.14.1
584
583
  # scikit-learn
585
584
  # solvation-analysis
586
585
  # statsmodels
587
- # symfc
588
586
  seaborn==0.13.2
589
587
  # via pymatgen-analysis-diffusion
590
588
  seekpath==2.1.0
@@ -597,7 +595,7 @@ six==1.17.0
597
595
  # via
598
596
  # pybtex
599
597
  # python-dateutil
600
- smart-open==7.0.5
598
+ smart-open==7.1.0
601
599
  # via mp-api
602
600
  snowballstemmer==2.2.0
603
601
  # via pydocstyle
@@ -611,13 +609,10 @@ spglib==2.5.0
611
609
  # pymatgen
612
610
  # robocrys
613
611
  # seekpath
614
- # symfc
615
612
  sshtunnel==0.4.0
616
613
  # via maggma
617
614
  statsmodels==0.14.4
618
615
  # via solvation-analysis
619
- symfc==1.1.6
620
- # via phonopy
621
616
  sympy==1.13.1
622
617
  # via
623
618
  # matminer
@@ -633,7 +628,7 @@ threadpoolctl==3.5.0
633
628
  # scikit-learn
634
629
  tidynamics==1.1.2
635
630
  # via transport-analysis
636
- tifffile==2024.9.20
631
+ tifffile==2024.12.12
637
632
  # via scikit-image
638
633
  tomli==2.2.1
639
634
  # via
{emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.11.txt RENAMED
@@ -12,20 +12,20 @@ ase==3.23.0
12
12
  # via
13
13
  # matcalc
14
14
  # pymatgen-analysis-diffusion
15
- attrs==24.2.0
15
+ attrs==24.3.0
16
16
  # via
17
17
  # jsonlines
18
18
  # jsonschema
19
19
  # referencing
20
20
  bcrypt==4.2.1
21
21
  # via paramiko
22
- boto3==1.35.78
22
+ boto3==1.35.84
23
23
  # via maggma
24
- botocore==1.35.78
24
+ botocore==1.35.84
25
25
  # via
26
26
  # boto3
27
27
  # s3transfer
28
- certifi==2024.8.30
28
+ certifi==2024.12.14
29
29
  # via requests
30
30
  cffi==1.17.1
31
31
  # via
@@ -43,7 +43,7 @@ dnspython==2.7.0
43
43
  # via
44
44
  # maggma
45
45
  # pymongo
46
- emmet-core[all]==0.84.2
46
+ emmet-core[all]==0.84.5
47
47
  # via
48
48
  # emmet-builders (setup.py)
49
49
  # mp-api
@@ -96,7 +96,7 @@ matminer==0.9.3
96
96
  # via
97
97
  # emmet-builders (setup.py)
98
98
  # robocrys
99
- matplotlib==3.9.3
99
+ matplotlib==3.10.0
100
100
  # via
101
101
  # ase
102
102
  # mdanalysis
@@ -131,7 +131,7 @@ monty==2024.12.10
131
131
  # robocrys
132
132
  more-itertools==10.5.0
133
133
  # via inflect
134
- mp-api==0.43.0
134
+ mp-api==0.44.0
135
135
  # via robocrys
136
136
  mp-pyrho==0.4.5
137
137
  # via pymatgen-analysis-defects
@@ -181,7 +181,6 @@ numpy==1.26.4
181
181
  # solvation-analysis
182
182
  # spglib
183
183
  # statsmodels
184
- # symfc
185
184
  # tifffile
186
185
  # waterdynamics
187
186
  orjson==3.10.12
@@ -212,7 +211,7 @@ pathsimanalysis==1.2.0
212
211
  # via mdanalysis
213
212
  patsy==1.0.1
214
213
  # via statsmodels
215
- phonopy==2.32.0
214
+ phonopy==2.33.3
216
215
  # via matcalc
217
216
  pillow==11.0.0
218
217
  # via
@@ -235,14 +234,14 @@ pybtex==0.24.0
235
234
  # robocrys
236
235
  pycparser==2.22
237
236
  # via cffi
238
- pydantic==2.10.3
237
+ pydantic==2.10.4
239
238
  # via
240
239
  # emmet-core
241
240
  # maggma
242
241
  # pydantic-settings
243
- pydantic-core==2.27.1
242
+ pydantic-core==2.27.2
244
243
  # via pydantic
245
- pydantic-settings==2.6.1
244
+ pydantic-settings==2.7.0
246
245
  # via
247
246
  # emmet-core
248
247
  # maggma
@@ -320,7 +319,7 @@ ruamel-yaml-clib==0.2.12
320
319
  # via ruamel-yaml
321
320
  s3transfer==0.10.4
322
321
  # via boto3
323
- scikit-image==0.24.0
322
+ scikit-image==0.25.0
324
323
  # via pymatgen-analysis-defects
325
324
  scikit-learn==1.6.0
326
325
  # via matminer
@@ -336,7 +335,6 @@ scipy==1.14.1
336
335
  # scikit-learn
337
336
  # solvation-analysis
338
337
  # statsmodels
339
- # symfc
340
338
  seaborn==0.13.2
341
339
  # via pymatgen-analysis-diffusion
342
340
  seekpath==2.1.0
@@ -349,7 +347,7 @@ six==1.17.0
349
347
  # via
350
348
  # pybtex
351
349
  # python-dateutil
352
- smart-open==7.0.5
350
+ smart-open==7.1.0
353
351
  # via mp-api
354
352
  solvation-analysis==0.4.1
355
353
  # via
@@ -361,13 +359,10 @@ spglib==2.5.0
361
359
  # pymatgen
362
360
  # robocrys
363
361
  # seekpath
364
- # symfc
365
362
  sshtunnel==0.4.0
366
363
  # via maggma
367
364
  statsmodels==0.14.4
368
365
  # via solvation-analysis
369
- symfc==1.1.6
370
- # via phonopy
371
366
  sympy==1.13.3
372
367
  # via
373
368
  # matminer
@@ -380,7 +375,7 @@ threadpoolctl==3.5.0
380
375
  # via
381
376
  # mdanalysis
382
377
  # scikit-learn
383
- tifffile==2024.9.20
378
+ tifffile==2024.12.12
384
379
  # via scikit-image
385
380
  tqdm==4.67.1
386
381
  # via
{emmet_builders-0.84.4 → emmet_builders-0.84.6rc0}/requirements/ubuntu-latest_py3.11_extras.txt RENAMED
@@ -6,11 +6,11 @@
6
6
  #
7
7
  aiohappyeyeballs==2.4.4
8
8
  # via aiohttp
9
- aiohttp==3.11.10
9
+ aiohttp==3.11.11
10
10
  # via fsspec
11
11
  aioitertools==0.12.0
12
12
  # via maggma
13
- aiosignal==1.3.1
13
+ aiosignal==1.3.2
14
14
  # via aiohttp
15
15
  annotated-types==0.7.0
16
16
  # via pydantic
@@ -20,7 +20,7 @@ ase==3.23.0
20
20
  # matcalc
21
21
  # matgl
22
22
  # pymatgen-analysis-diffusion
23
- attrs==24.2.0
23
+ attrs==24.3.0
24
24
  # via
25
25
  # aiohttp
26
26
  # jsonlines
@@ -28,15 +28,15 @@ attrs==24.2.0
28
28
  # referencing
29
29
  bcrypt==4.2.1
30
30
  # via paramiko
31
- boto3==1.35.78
31
+ boto3==1.35.84
32
32
  # via maggma
33
- botocore==1.35.78
33
+ botocore==1.35.84
34
34
  # via
35
35
  # boto3
36
36
  # s3transfer
37
37
  bracex==2.5.post1
38
38
  # via wcmatch
39
- certifi==2024.8.30
39
+ certifi==2024.12.14
40
40
  # via requests
41
41
  cffi==1.17.1
42
42
  # via
@@ -76,7 +76,7 @@ dnspython==2.7.0
76
76
  # via
77
77
  # maggma
78
78
  # pymongo
79
- emmet-core[all,ml]==0.84.2
79
+ emmet-core[all,ml]==0.84.5
80
80
  # via
81
81
  # emmet-builders (setup.py)
82
82
  # mp-api
@@ -161,7 +161,7 @@ lightning-utilities==0.11.9
161
161
  # lightning
162
162
  # pytorch-lightning
163
163
  # torchmetrics
164
- livereload==2.7.0
164
+ livereload==2.7.1
165
165
  # via emmet-builders (setup.py)
166
166
  maggma==0.70.0
167
167
  # via
@@ -188,7 +188,7 @@ matminer==0.9.3
188
188
  # via
189
189
  # emmet-builders (setup.py)
190
190
  # robocrys
191
- matplotlib==3.9.3
191
+ matplotlib==3.10.0
192
192
  # via
193
193
  # ase
194
194
  # mdanalysis
@@ -263,7 +263,7 @@ monty==2024.12.10
263
263
  # robocrys
264
264
  more-itertools==10.5.0
265
265
  # via inflect
266
- mp-api==0.43.0
266
+ mp-api==0.44.0
267
267
  # via robocrys
268
268
  mp-pyrho==0.4.5
269
269
  # via pymatgen-analysis-defects
@@ -331,7 +331,6 @@ numpy==1.26.4
331
331
  # solvation-analysis
332
332
  # spglib
333
333
  # statsmodels
334
- # symfc
335
334
  # tidynamics
336
335
  # tifffile
337
336
  # torchmetrics
@@ -405,7 +404,7 @@ pathspec==0.12.1
405
404
  # via mkdocs
406
405
  patsy==1.0.1
407
406
  # via statsmodels
408
- phonopy==2.32.0
407
+ phonopy==2.33.3
409
408
  # via matcalc
410
409
  pillow==11.0.0
411
410
  # via
@@ -430,7 +429,7 @@ propcache==0.2.1
430
429
  # via
431
430
  # aiohttp
432
431
  # yarl
433
- psutil==6.1.0
432
+ psutil==6.1.1
434
433
  # via dgl
435
434
  pubchempy==1.0.4
436
435
  # via robocrys
@@ -445,15 +444,15 @@ pycodestyle==2.12.1
445
444
  # flake8
446
445
  pycparser==2.22
447
446
  # via cffi
448
- pydantic==2.10.3
447
+ pydantic==2.10.4
449
448
  # via
450
449
  # emmet-core
451
450
  # maggma
452
451
  # matgl
453
452
  # pydantic-settings
454
- pydantic-core==2.27.1
453
+ pydantic-core==2.27.2
455
454
  # via pydantic
456
- pydantic-settings==2.6.1
455
+ pydantic-settings==2.7.0
457
456
  # via
458
457
  # emmet-core
459
458
  # maggma
@@ -563,7 +562,7 @@ ruamel-yaml-clib==0.2.12
563
562
  # via ruamel-yaml
564
563
  s3transfer==0.10.4
565
564
  # via boto3
566
- scikit-image==0.24.0
565
+ scikit-image==0.25.0
567
566
  # via pymatgen-analysis-defects
568
567
  scikit-learn==1.6.0
569
568
  # via matminer
@@ -580,7 +579,6 @@ scipy==1.14.1
580
579
  # scikit-learn
581
580
  # solvation-analysis
582
581
  # statsmodels
583
- # symfc
584
582
  seaborn==0.13.2
585
583
  # via pymatgen-analysis-diffusion
586
584
  seekpath==2.1.0
@@ -593,7 +591,7 @@ six==1.17.0
593
591
  # via
594
592
  # pybtex
595
593
  # python-dateutil
596
- smart-open==7.0.5
594
+ smart-open==7.1.0
597
595
  # via mp-api
598
596
  snowballstemmer==2.2.0
599
597
  # via pydocstyle
@@ -607,13 +605,10 @@ spglib==2.5.0
607
605
  # pymatgen
608
606
  # robocrys
609
607
  # seekpath
610
- # symfc
611
608
  sshtunnel==0.4.0
612
609
  # via maggma
613
610
  statsmodels==0.14.4
614
611
  # via solvation-analysis
615
- symfc==1.1.6
616
- # via phonopy
617
612
  sympy==1.13.1
618
613
  # via
619
614
  # matminer
@@ -629,7 +624,7 @@ threadpoolctl==3.5.0
629
624
  # scikit-learn
630
625
  tidynamics==1.1.2
631
626
  # via transport-analysis
632
- tifffile==2024.9.20
627
+ tifffile==2024.12.12
633
628
  # via scikit-image
634
629
  torch==2.5.1
635
630
  # via