emmet-builders 0.84.2rc7__tar.gz → 0.84.2rc8__tar.gz

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  1. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/PKG-INFO +1 -1
  2. emmet-builders-0.84.2rc8/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  3. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet_builders.egg-info/PKG-INFO +1 -1
  4. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.10.txt +25 -23
  5. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.10_extras.txt +40 -37
  6. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.11.txt +25 -23
  7. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.11_extras.txt +39 -37
  8. emmet-builders-0.84.2rc7/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  9. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/MANIFEST.in +0 -0
  10. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/__init__.py +0 -0
  11. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/abinit/__init__.py +0 -0
  12. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/abinit/phonon.py +0 -0
  13. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/abinit/sound_velocity.py +0 -0
  14. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/feff/__init__.py +0 -0
  15. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/feff/xas.py +0 -0
  16. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/__init__.py +0 -0
  17. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/absorption_spectrum.py +0 -0
  18. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/alloys.py +0 -0
  19. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/basic_descriptors.py +0 -0
  20. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/bonds.py +0 -0
  21. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/chemenv.py +0 -0
  22. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/corrected_entries.py +0 -0
  23. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/dielectric.py +0 -0
  24. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/elasticity.py +0 -0
  25. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/electrodes.py +0 -0
  26. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/electronic_structure.py +0 -0
  27. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/magnetism.py +0 -0
  28. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/ml.py +0 -0
  29. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/optimade.py +0 -0
  30. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/oxidation_states.py +0 -0
  31. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/piezoelectric.py +0 -0
  32. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/provenance.py +0 -0
  33. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/robocrys.py +0 -0
  34. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/similarity.py +0 -0
  35. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/substrates.py +0 -0
  36. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/summary.py +0 -0
  37. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/materials/thermo.py +0 -0
  38. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/matscholar/missing_compositions.py +0 -0
  39. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/mobility/__init__.py +0 -0
  40. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/mobility/migration_graph.py +0 -0
  41. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/__init__.py +0 -0
  42. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/atomic.py +0 -0
  43. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/bonds.py +0 -0
  44. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/electric.py +0 -0
  45. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/metal_binding.py +0 -0
  46. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/orbitals.py +0 -0
  47. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/redox.py +0 -0
  48. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/summary.py +0 -0
  49. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/thermo.py +0 -0
  50. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/trajectory.py +0 -0
  51. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/molecules/vibration.py +0 -0
  52. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/qchem/__init__.py +0 -0
  53. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/qchem/molecules.py +0 -0
  54. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/settings.py +0 -0
  55. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/utils.py +0 -0
  56. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/vasp/__init__.py +0 -0
  57. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/vasp/materials.py +0 -0
  58. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet/builders/vasp/task_validator.py +0 -0
  59. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet_builders.egg-info/SOURCES.txt +0 -0
  60. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet_builders.egg-info/dependency_links.txt +0 -0
  61. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet_builders.egg-info/not-zip-safe +0 -0
  62. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet_builders.egg-info/requires.txt +0 -0
  63. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet_builders.egg-info/top_level.txt +0 -0
  64. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/deployment.txt +0 -0
  65. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/setup.cfg +0 -0
  66. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/setup.py +0 -0
  67. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/__init__.py +0 -0
  68. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/conftest.py +0 -0
  69. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/__init__.py +0 -0
  70. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_atomic.py +0 -0
  71. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_bonds.py +0 -0
  72. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_electric.py +0 -0
  73. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_metal_binding.py +0 -0
  74. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_orbitals.py +0 -0
  75. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_redox.py +0 -0
  76. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_summary.py +0 -0
  77. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_thermo.py +0 -0
  78. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_trajectory.py +0 -0
  79. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/molecules/test_vibration.py +0 -0
  80. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_absorption.py +0 -0
  81. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_basic_descriptors.py +0 -0
  82. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_chemenv.py +0 -0
  83. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_corrected_entries_thermo.py +0 -0
  84. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_dielectric.py +0 -0
  85. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_elasticity.py +0 -0
  86. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_electronic_structure.py +0 -0
  87. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_magnetism.py +0 -0
  88. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_materials.py +0 -0
  89. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_ml.py +0 -0
  90. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_mobility.py +0 -0
  91. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_oxidation.py +0 -0
  92. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_piezoelectric.py +0 -0
  93. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_qchem.py +0 -0
  94. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_similarity.py +0 -0
  95. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_summary.py +0 -0
  96. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_utils.py +0 -0
  97. {emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/tests/test_vasp.py +0 -0
{emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.84.2rc7
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+ Version: 0.84.2rc8
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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-0.84.2rc7 → emmet-builders-0.84.2rc8}/emmet_builders.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.84.2rc7
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+ Version: 0.84.2rc8
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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-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -17,15 +17,15 @@ attrs==24.2.0
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  # referencing
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  bcrypt==4.2.0
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  # via paramiko
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- boto3==1.35.10
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+ boto3==1.35.21
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  # via maggma
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- botocore==1.35.10
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+ botocore==1.35.21
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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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  # via requests
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- cffi==1.17.0
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+ cffi==1.17.1
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  # via
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  # cryptography
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  # pynacl
@@ -55,9 +55,9 @@ griddataformats==1.0.2
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  # via mdanalysis
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  h5py==3.11.0
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  # via phonopy
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- idna==3.8
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+ idna==3.10
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  # via requests
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- inflect==7.3.1
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+ inflect==7.4.0
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  # via robocrys
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  iniconfig==2.0.0
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  # via pytest
@@ -78,7 +78,7 @@ jsonschema==4.23.0
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  # via maggma
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  jsonschema-specifications==2023.12.1
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  # via jsonschema
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- kiwisolver==1.4.6
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+ kiwisolver==1.4.7
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  # via matplotlib
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  latexcodec==3.0.0
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  # via pybtex
@@ -108,7 +108,7 @@ mdanalysis==2.7.0
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  # solvation-analysis
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  mmtf-python==1.1.3
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  # via mdanalysis
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- mongomock==4.1.2
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+ mongomock==4.2.0.post1
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  # via maggma
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  monty==2024.7.30
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  # via
@@ -118,15 +118,15 @@ monty==2024.7.30
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  # mp-api
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  # pymatgen
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  # robocrys
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- more-itertools==10.4.0
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+ more-itertools==10.5.0
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  # via inflect
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- mp-api==0.42.1
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+ mp-api==0.42.2
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  # via robocrys
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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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  # via griddataformats
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- msgpack==1.0.8
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+ msgpack==1.1.0
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  # via
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  # maggma
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  # mmtf-python
@@ -179,17 +179,17 @@ pandas==2.2.2
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  # pymatgen
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  # solvation-analysis
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  # statsmodels
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- paramiko==3.4.1
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+ paramiko==3.5.0
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  # via sshtunnel
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  patsy==0.5.6
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  # via statsmodels
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- phonopy==2.27.0
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+ phonopy==2.28.0
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  # via matcalc
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  pillow==10.4.0
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  # via
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  # matplotlib
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  # rdkit
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- plotly==5.24.0
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+ plotly==5.24.1
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  # via
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  # pymatgen
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  # solvation-analysis
@@ -204,14 +204,14 @@ 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==2.8.2
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+ pydantic==2.9.2
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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==2.20.1
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+ pydantic-core==2.23.4
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  # via pydantic
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- pydantic-settings==2.4.0
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+ pydantic-settings==2.5.2
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  # via
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  # emmet-core
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  # maggma
@@ -230,7 +230,7 @@ pymatgen-analysis-alloys==0.0.6
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  # via emmet-core
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  pymatgen-analysis-diffusion==2023.8.15
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  # via emmet-core
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- pymongo==4.8.0
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+ pymongo==4.9
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  # via
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  # maggma
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  # matminer
@@ -238,7 +238,7 @@ pynacl==1.5.0
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  # via paramiko
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  pyparsing==3.1.4
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  # via matplotlib
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- pytest==8.3.2
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+ pytest==8.3.3
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  # via solvation-analysis
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  python-dateutil==2.9.0.post0
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  # via
@@ -248,8 +248,10 @@ 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==2024.1
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- # via pandas
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+ pytz==2024.2
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+ # via
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+ # mongomock
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+ # pandas
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  pyyaml==6.0.2
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  # via
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  # phonopy
@@ -282,7 +284,7 @@ ruamel-yaml-clib==0.2.8
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  # via ruamel-yaml
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  s3transfer==0.10.2
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  # via boto3
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- scikit-learn==1.5.1
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+ scikit-learn==1.5.2
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  # via matminer
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  scipy==1.14.1
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  # via
@@ -319,7 +321,7 @@ spglib==2.5.0
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  # seekpath
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  sshtunnel==0.4.0
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  # via maggma
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- statsmodels==0.14.2
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+ statsmodels==0.14.3
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  # via solvation-analysis
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  sympy==1.13.2
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  # via
@@ -355,7 +357,7 @@ tzdata==2024.1
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  # via pandas
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  uncertainties==3.2.2
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  # via pymatgen
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- urllib3==2.2.2
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+ urllib3==2.2.3
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  # via
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  # botocore
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  # requests
{emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -29,9 +29,9 @@ attrs==24.2.0
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  # referencing
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  bcrypt==4.2.0
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  # via paramiko
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- boto3==1.35.10
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+ boto3==1.35.21
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  # via maggma
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- botocore==1.35.10
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+ botocore==1.35.21
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  # via
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  # boto3
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  # s3transfer
@@ -39,7 +39,7 @@ bracex==2.5
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  # via wcmatch
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  certifi==2024.8.30
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  # via requests
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- cffi==1.17.0
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+ cffi==1.17.1
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  # via
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  # cryptography
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  # pynacl
@@ -83,7 +83,7 @@ exceptiongroup==1.2.2
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  # via pytest
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  fasteners==0.19
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  # via mdanalysis
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- filelock==3.15.4
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+ filelock==3.16.1
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  # via
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  # torch
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89
  # triton
@@ -96,7 +96,7 @@ frozenlist==1.4.1
96
96
  # via
97
97
  # aiohttp
98
98
  # aiosignal
99
- fsspec[http]==2024.6.1
99
+ fsspec[http]==2024.9.0
100
100
  # via
101
101
  # lightning
102
102
  # pytorch-lightning
@@ -105,19 +105,19 @@ ghp-import==2.1.0
105
105
  # via mkdocs
106
106
  griddataformats==1.0.2
107
107
  # via mdanalysis
108
- griffe==1.2.0
108
+ griffe==1.3.1
109
109
  # via mkdocstrings-python
110
110
  h5py==3.11.0
111
111
  # via phonopy
112
112
  htmlmin2==0.1.13
113
113
  # via mkdocs-minify-plugin
114
- identify==2.6.0
114
+ identify==2.6.1
115
115
  # via pre-commit
116
- idna==3.8
116
+ idna==3.10
117
117
  # via
118
118
  # requests
119
119
  # yarl
120
- inflect==7.3.1
120
+ inflect==7.4.0
121
121
  # via robocrys
122
122
  iniconfig==2.0.0
123
123
  # via pytest
@@ -147,7 +147,7 @@ jsonschema==4.23.0
147
147
  # via maggma
148
148
  jsonschema-specifications==2023.12.1
149
149
  # via jsonschema
150
- kiwisolver==1.4.6
150
+ kiwisolver==1.4.7
151
151
  # via matplotlib
152
152
  latexcodec==3.0.0
153
153
  # via pybtex
@@ -233,7 +233,7 @@ mkdocs-material-extensions==1.3.1
233
233
  # mkdocs-material
234
234
  mkdocs-minify-plugin==0.8.0
235
235
  # via emmet-builders (setup.py)
236
- mkdocstrings[python]==0.26.0
236
+ mkdocstrings[python]==0.26.1
237
237
  # via
238
238
  # emmet-builders (setup.py)
239
239
  # mkdocstrings-python
@@ -241,7 +241,7 @@ mkdocstrings-python==1.11.1
241
241
  # via mkdocstrings
242
242
  mmtf-python==1.1.3
243
243
  # via mdanalysis
244
- mongomock==4.1.2
244
+ mongomock==4.2.0.post1
245
245
  # via maggma
246
246
  monty==2024.7.30
247
247
  # via
@@ -251,20 +251,20 @@ monty==2024.7.30
251
251
  # mp-api
252
252
  # pymatgen
253
253
  # robocrys
254
- more-itertools==10.4.0
254
+ more-itertools==10.5.0
255
255
  # via inflect
256
- mp-api==0.42.1
256
+ mp-api==0.42.2
257
257
  # via robocrys
258
258
  mpmath==1.3.0
259
259
  # via sympy
260
260
  mrcfile==1.5.3
261
261
  # via griddataformats
262
- msgpack==1.0.8
262
+ msgpack==1.1.0
263
263
  # via
264
264
  # maggma
265
265
  # mmtf-python
266
266
  # mp-api
267
- multidict==6.0.5
267
+ multidict==6.1.0
268
268
  # via
269
269
  # aiohttp
270
270
  # yarl
@@ -370,24 +370,24 @@ pandas==2.2.2
370
370
  # pymatgen
371
371
  # solvation-analysis
372
372
  # statsmodels
373
- paramiko==3.4.1
373
+ paramiko==3.5.0
374
374
  # via sshtunnel
375
375
  pathspec==0.12.1
376
376
  # via mkdocs
377
377
  patsy==0.5.6
378
378
  # via statsmodels
379
- phonopy==2.27.0
379
+ phonopy==2.28.0
380
380
  # via matcalc
381
381
  pillow==10.4.0
382
382
  # via
383
383
  # matplotlib
384
384
  # rdkit
385
- platformdirs==4.2.2
385
+ platformdirs==4.3.6
386
386
  # via
387
387
  # mkdocs-get-deps
388
388
  # mkdocstrings
389
389
  # virtualenv
390
- plotly==5.24.0
390
+ plotly==5.24.1
391
391
  # via
392
392
  # pymatgen
393
393
  # solvation-analysis
@@ -410,15 +410,15 @@ pycodestyle==2.12.1
410
410
  # flake8
411
411
  pycparser==2.22
412
412
  # via cffi
413
- pydantic==2.8.2
413
+ pydantic==2.9.2
414
414
  # via
415
415
  # emmet-core
416
416
  # maggma
417
417
  # matgl
418
418
  # pydantic-settings
419
- pydantic-core==2.20.1
419
+ pydantic-core==2.23.4
420
420
  # via pydantic
421
- pydantic-settings==2.4.0
421
+ pydantic-settings==2.5.2
422
422
  # via
423
423
  # emmet-core
424
424
  # maggma
@@ -449,7 +449,7 @@ pymdown-extensions==10.9
449
449
  # via
450
450
  # mkdocs-material
451
451
  # mkdocstrings
452
- pymongo==4.8.0
452
+ pymongo==4.9
453
453
  # via
454
454
  # maggma
455
455
  # matminer
@@ -457,7 +457,7 @@ pynacl==1.5.0
457
457
  # via paramiko
458
458
  pyparsing==3.1.4
459
459
  # via matplotlib
460
- pytest==8.3.2
460
+ pytest==8.3.3
461
461
  # via
462
462
  # emmet-builders (setup.py)
463
463
  # pytest-cov
@@ -475,8 +475,10 @@ python-dotenv==1.0.1
475
475
  # via pydantic-settings
476
476
  pytorch-lightning==2.4.0
477
477
  # via lightning
478
- pytz==2024.1
479
- # via pandas
478
+ pytz==2024.2
479
+ # via
480
+ # mongomock
481
+ # pandas
480
482
  pyyaml==6.0.2
481
483
  # via
482
484
  # lightning
@@ -521,7 +523,7 @@ ruamel-yaml-clib==0.2.8
521
523
  # via ruamel-yaml
522
524
  s3transfer==0.10.2
523
525
  # via boto3
524
- scikit-learn==1.5.1
526
+ scikit-learn==1.5.2
525
527
  # via matminer
526
528
  scipy==1.14.1
527
529
  # via
@@ -561,7 +563,7 @@ spglib==2.5.0
561
563
  # seekpath
562
564
  sshtunnel==0.4.0
563
565
  # via maggma
564
- statsmodels==0.14.2
566
+ statsmodels==0.14.3
565
567
  # via solvation-analysis
566
568
  sympy==1.13.2
567
569
  # via
@@ -583,7 +585,7 @@ tomli==2.0.1
583
585
  # coverage
584
586
  # mypy
585
587
  # pytest
586
- torch==2.4.0
588
+ torch==2.4.1
587
589
  # via
588
590
  # chgnet
589
591
  # lightning
@@ -595,7 +597,7 @@ torchdata==0.7.1
595
597
  # via
596
598
  # dgl
597
599
  # matgl
598
- torchmetrics==1.4.1
600
+ torchmetrics==1.4.2
599
601
  # via
600
602
  # lightning
601
603
  # pytorch-lightning
@@ -616,9 +618,9 @@ triton==3.0.0
616
618
  # via torch
617
619
  typeguard==4.3.0
618
620
  # via inflect
619
- types-requests==2.32.0.20240712
621
+ types-requests==2.32.0.20240914
620
622
  # via emmet-builders (setup.py)
621
- types-setuptools==74.0.0.20240831
623
+ types-setuptools==75.1.0.20240917
622
624
  # via emmet-builders (setup.py)
623
625
  typing-extensions==4.12.2
624
626
  # via
@@ -626,6 +628,7 @@ typing-extensions==4.12.2
626
628
  # lightning
627
629
  # lightning-utilities
628
630
  # mp-api
631
+ # multidict
629
632
  # mypy
630
633
  # pydantic
631
634
  # pydantic-core
@@ -637,15 +640,15 @@ tzdata==2024.1
637
640
  # via pandas
638
641
  uncertainties==3.2.2
639
642
  # via pymatgen
640
- urllib3==2.2.2
643
+ urllib3==2.2.3
641
644
  # via
642
645
  # botocore
643
646
  # requests
644
647
  # torchdata
645
648
  # types-requests
646
- virtualenv==20.26.3
649
+ virtualenv==20.26.5
647
650
  # via pre-commit
648
- watchdog==5.0.1
651
+ watchdog==5.0.2
649
652
  # via mkdocs
650
653
  wcmatch==9.0
651
654
  # via mkdocs-awesome-pages-plugin
@@ -653,7 +656,7 @@ wincertstore==0.2.1
653
656
  # via emmet-builders (setup.py)
654
657
  wrapt==1.16.0
655
658
  # via smart-open
656
- yarl==1.9.7
659
+ yarl==1.11.1
657
660
  # via aiohttp
658
661
 
659
662
  # The following packages are considered to be unsafe in a requirements file:
{emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.11.txt RENAMED
@@ -17,15 +17,15 @@ attrs==24.2.0
17
17
  # referencing
18
18
  bcrypt==4.2.0
19
19
  # via paramiko
20
- boto3==1.35.10
20
+ boto3==1.35.21
21
21
  # via maggma
22
- botocore==1.35.10
22
+ botocore==1.35.21
23
23
  # via
24
24
  # boto3
25
25
  # s3transfer
26
26
  certifi==2024.8.30
27
27
  # via requests
28
- cffi==1.17.0
28
+ cffi==1.17.1
29
29
  # via
30
30
  # cryptography
31
31
  # pynacl
@@ -53,9 +53,9 @@ griddataformats==1.0.2
53
53
  # via mdanalysis
54
54
  h5py==3.11.0
55
55
  # via phonopy
56
- idna==3.8
56
+ idna==3.10
57
57
  # via requests
58
- inflect==7.3.1
58
+ inflect==7.4.0
59
59
  # via robocrys
60
60
  iniconfig==2.0.0
61
61
  # via pytest
@@ -76,7 +76,7 @@ jsonschema==4.23.0
76
76
  # via maggma
77
77
  jsonschema-specifications==2023.12.1
78
78
  # via jsonschema
79
- kiwisolver==1.4.6
79
+ kiwisolver==1.4.7
80
80
  # via matplotlib
81
81
  latexcodec==3.0.0
82
82
  # via pybtex
@@ -106,7 +106,7 @@ mdanalysis==2.7.0
106
106
  # solvation-analysis
107
107
  mmtf-python==1.1.3
108
108
  # via mdanalysis
109
- mongomock==4.1.2
109
+ mongomock==4.2.0.post1
110
110
  # via maggma
111
111
  monty==2024.7.30
112
112
  # via
@@ -116,15 +116,15 @@ monty==2024.7.30
116
116
  # mp-api
117
117
  # pymatgen
118
118
  # robocrys
119
- more-itertools==10.4.0
119
+ more-itertools==10.5.0
120
120
  # via inflect
121
- mp-api==0.42.1
121
+ mp-api==0.42.2
122
122
  # via robocrys
123
123
  mpmath==1.3.0
124
124
  # via sympy
125
125
  mrcfile==1.5.3
126
126
  # via griddataformats
127
- msgpack==1.0.8
127
+ msgpack==1.1.0
128
128
  # via
129
129
  # maggma
130
130
  # mmtf-python
@@ -177,17 +177,17 @@ pandas==2.2.2
177
177
  # pymatgen
178
178
  # solvation-analysis
179
179
  # statsmodels
180
- paramiko==3.4.1
180
+ paramiko==3.5.0
181
181
  # via sshtunnel
182
182
  patsy==0.5.6
183
183
  # via statsmodels
184
- phonopy==2.27.0
184
+ phonopy==2.28.0
185
185
  # via matcalc
186
186
  pillow==10.4.0
187
187
  # via
188
188
  # matplotlib
189
189
  # rdkit
190
- plotly==5.24.0
190
+ plotly==5.24.1
191
191
  # via
192
192
  # pymatgen
193
193
  # solvation-analysis
@@ -202,14 +202,14 @@ pybtex==0.24.0
202
202
  # robocrys
203
203
  pycparser==2.22
204
204
  # via cffi
205
- pydantic==2.8.2
205
+ pydantic==2.9.2
206
206
  # via
207
207
  # emmet-core
208
208
  # maggma
209
209
  # pydantic-settings
210
- pydantic-core==2.20.1
210
+ pydantic-core==2.23.4
211
211
  # via pydantic
212
- pydantic-settings==2.4.0
212
+ pydantic-settings==2.5.2
213
213
  # via
214
214
  # emmet-core
215
215
  # maggma
@@ -228,7 +228,7 @@ pymatgen-analysis-alloys==0.0.6
228
228
  # via emmet-core
229
229
  pymatgen-analysis-diffusion==2023.8.15
230
230
  # via emmet-core
231
- pymongo==4.8.0
231
+ pymongo==4.9
232
232
  # via
233
233
  # maggma
234
234
  # matminer
@@ -236,7 +236,7 @@ pynacl==1.5.0
236
236
  # via paramiko
237
237
  pyparsing==3.1.4
238
238
  # via matplotlib
239
- pytest==8.3.2
239
+ pytest==8.3.3
240
240
  # via solvation-analysis
241
241
  python-dateutil==2.9.0.post0
242
242
  # via
@@ -246,8 +246,10 @@ python-dateutil==2.9.0.post0
246
246
  # pandas
247
247
  python-dotenv==1.0.1
248
248
  # via pydantic-settings
249
- pytz==2024.1
250
- # via pandas
249
+ pytz==2024.2
250
+ # via
251
+ # mongomock
252
+ # pandas
251
253
  pyyaml==6.0.2
252
254
  # via
253
255
  # phonopy
@@ -280,7 +282,7 @@ ruamel-yaml-clib==0.2.8
280
282
  # via ruamel-yaml
281
283
  s3transfer==0.10.2
282
284
  # via boto3
283
- scikit-learn==1.5.1
285
+ scikit-learn==1.5.2
284
286
  # via matminer
285
287
  scipy==1.14.1
286
288
  # via
@@ -317,7 +319,7 @@ spglib==2.5.0
317
319
  # seekpath
318
320
  sshtunnel==0.4.0
319
321
  # via maggma
320
- statsmodels==0.14.2
322
+ statsmodels==0.14.3
321
323
  # via solvation-analysis
322
324
  sympy==1.13.2
323
325
  # via
@@ -351,7 +353,7 @@ tzdata==2024.1
351
353
  # via pandas
352
354
  uncertainties==3.2.2
353
355
  # via pymatgen
354
- urllib3==2.2.2
356
+ urllib3==2.2.3
355
357
  # via
356
358
  # botocore
357
359
  # requests
{emmet-builders-0.84.2rc7 → emmet-builders-0.84.2rc8}/requirements/ubuntu-latest_py3.11_extras.txt RENAMED
@@ -27,9 +27,9 @@ attrs==24.2.0
27
27
  # referencing
28
28
  bcrypt==4.2.0
29
29
  # via paramiko
30
- boto3==1.35.10
30
+ boto3==1.35.21
31
31
  # via maggma
32
- botocore==1.35.10
32
+ botocore==1.35.21
33
33
  # via
34
34
  # boto3
35
35
  # s3transfer
@@ -37,7 +37,7 @@ bracex==2.5
37
37
  # via wcmatch
38
38
  certifi==2024.8.30
39
39
  # via requests
40
- cffi==1.17.0
40
+ cffi==1.17.1
41
41
  # via
42
42
  # cryptography
43
43
  # pynacl
@@ -79,7 +79,7 @@ emmet-core[all,ml]==0.84.1
79
79
  # mp-api
80
80
  fasteners==0.19
81
81
  # via mdanalysis
82
- filelock==3.15.4
82
+ filelock==3.16.1
83
83
  # via
84
84
  # torch
85
85
  # triton
@@ -92,7 +92,7 @@ frozenlist==1.4.1
92
92
  # via
93
93
  # aiohttp
94
94
  # aiosignal
95
- fsspec[http]==2024.6.1
95
+ fsspec[http]==2024.9.0
96
96
  # via
97
97
  # lightning
98
98
  # pytorch-lightning
@@ -101,19 +101,19 @@ ghp-import==2.1.0
101
101
  # via mkdocs
102
102
  griddataformats==1.0.2
103
103
  # via mdanalysis
104
- griffe==1.2.0
104
+ griffe==1.3.1
105
105
  # via mkdocstrings-python
106
106
  h5py==3.11.0
107
107
  # via phonopy
108
108
  htmlmin2==0.1.13
109
109
  # via mkdocs-minify-plugin
110
- identify==2.6.0
110
+ identify==2.6.1
111
111
  # via pre-commit
112
- idna==3.8
112
+ idna==3.10
113
113
  # via
114
114
  # requests
115
115
  # yarl
116
- inflect==7.3.1
116
+ inflect==7.4.0
117
117
  # via robocrys
118
118
  iniconfig==2.0.0
119
119
  # via pytest
@@ -143,7 +143,7 @@ jsonschema==4.23.0
143
143
  # via maggma
144
144
  jsonschema-specifications==2023.12.1
145
145
  # via jsonschema
146
- kiwisolver==1.4.6
146
+ kiwisolver==1.4.7
147
147
  # via matplotlib
148
148
  latexcodec==3.0.0
149
149
  # via pybtex
@@ -229,7 +229,7 @@ mkdocs-material-extensions==1.3.1
229
229
  # mkdocs-material
230
230
  mkdocs-minify-plugin==0.8.0
231
231
  # via emmet-builders (setup.py)
232
- mkdocstrings[python]==0.26.0
232
+ mkdocstrings[python]==0.26.1
233
233
  # via
234
234
  # emmet-builders (setup.py)
235
235
  # mkdocstrings-python
@@ -237,7 +237,7 @@ mkdocstrings-python==1.11.1
237
237
  # via mkdocstrings
238
238
  mmtf-python==1.1.3
239
239
  # via mdanalysis
240
- mongomock==4.1.2
240
+ mongomock==4.2.0.post1
241
241
  # via maggma
242
242
  monty==2024.7.30
243
243
  # via
@@ -247,20 +247,20 @@ monty==2024.7.30
247
247
  # mp-api
248
248
  # pymatgen
249
249
  # robocrys
250
- more-itertools==10.4.0
250
+ more-itertools==10.5.0
251
251
  # via inflect
252
- mp-api==0.42.1
252
+ mp-api==0.42.2
253
253
  # via robocrys
254
254
  mpmath==1.3.0
255
255
  # via sympy
256
256
  mrcfile==1.5.3
257
257
  # via griddataformats
258
- msgpack==1.0.8
258
+ msgpack==1.1.0
259
259
  # via
260
260
  # maggma
261
261
  # mmtf-python
262
262
  # mp-api
263
- multidict==6.0.5
263
+ multidict==6.1.0
264
264
  # via
265
265
  # aiohttp
266
266
  # yarl
@@ -366,24 +366,24 @@ pandas==2.2.2
366
366
  # pymatgen
367
367
  # solvation-analysis
368
368
  # statsmodels
369
- paramiko==3.4.1
369
+ paramiko==3.5.0
370
370
  # via sshtunnel
371
371
  pathspec==0.12.1
372
372
  # via mkdocs
373
373
  patsy==0.5.6
374
374
  # via statsmodels
375
- phonopy==2.27.0
375
+ phonopy==2.28.0
376
376
  # via matcalc
377
377
  pillow==10.4.0
378
378
  # via
379
379
  # matplotlib
380
380
  # rdkit
381
- platformdirs==4.2.2
381
+ platformdirs==4.3.6
382
382
  # via
383
383
  # mkdocs-get-deps
384
384
  # mkdocstrings
385
385
  # virtualenv
386
- plotly==5.24.0
386
+ plotly==5.24.1
387
387
  # via
388
388
  # pymatgen
389
389
  # solvation-analysis
@@ -406,15 +406,15 @@ pycodestyle==2.12.1
406
406
  # flake8
407
407
  pycparser==2.22
408
408
  # via cffi
409
- pydantic==2.8.2
409
+ pydantic==2.9.2
410
410
  # via
411
411
  # emmet-core
412
412
  # maggma
413
413
  # matgl
414
414
  # pydantic-settings
415
- pydantic-core==2.20.1
415
+ pydantic-core==2.23.4
416
416
  # via pydantic
417
- pydantic-settings==2.4.0
417
+ pydantic-settings==2.5.2
418
418
  # via
419
419
  # emmet-core
420
420
  # maggma
@@ -445,7 +445,7 @@ pymdown-extensions==10.9
445
445
  # via
446
446
  # mkdocs-material
447
447
  # mkdocstrings
448
- pymongo==4.8.0
448
+ pymongo==4.9
449
449
  # via
450
450
  # maggma
451
451
  # matminer
@@ -453,7 +453,7 @@ pynacl==1.5.0
453
453
  # via paramiko
454
454
  pyparsing==3.1.4
455
455
  # via matplotlib
456
- pytest==8.3.2
456
+ pytest==8.3.3
457
457
  # via
458
458
  # emmet-builders (setup.py)
459
459
  # pytest-cov
@@ -471,8 +471,10 @@ python-dotenv==1.0.1
471
471
  # via pydantic-settings
472
472
  pytorch-lightning==2.4.0
473
473
  # via lightning
474
- pytz==2024.1
475
- # via pandas
474
+ pytz==2024.2
475
+ # via
476
+ # mongomock
477
+ # pandas
476
478
  pyyaml==6.0.2
477
479
  # via
478
480
  # lightning
@@ -517,7 +519,7 @@ ruamel-yaml-clib==0.2.8
517
519
  # via ruamel-yaml
518
520
  s3transfer==0.10.2
519
521
  # via boto3
520
- scikit-learn==1.5.1
522
+ scikit-learn==1.5.2
521
523
  # via matminer
522
524
  scipy==1.14.1
523
525
  # via
@@ -557,7 +559,7 @@ spglib==2.5.0
557
559
  # seekpath
558
560
  sshtunnel==0.4.0
559
561
  # via maggma
560
- statsmodels==0.14.2
562
+ statsmodels==0.14.3
561
563
  # via solvation-analysis
562
564
  sympy==1.13.2
563
565
  # via
@@ -574,7 +576,7 @@ threadpoolctl==3.5.0
574
576
  # scikit-learn
575
577
  tidynamics==1.1.2
576
578
  # via transport-analysis
577
- torch==2.4.0
579
+ torch==2.4.1
578
580
  # via
579
581
  # chgnet
580
582
  # lightning
@@ -586,7 +588,7 @@ torchdata==0.7.1
586
588
  # via
587
589
  # dgl
588
590
  # matgl
589
- torchmetrics==1.4.1
591
+ torchmetrics==1.4.2
590
592
  # via
591
593
  # lightning
592
594
  # pytorch-lightning
@@ -607,9 +609,9 @@ triton==3.0.0
607
609
  # via torch
608
610
  typeguard==4.3.0
609
611
  # via inflect
610
- types-requests==2.32.0.20240712
612
+ types-requests==2.32.0.20240914
611
613
  # via emmet-builders (setup.py)
612
- types-setuptools==74.0.0.20240831
614
+ types-setuptools==75.1.0.20240917
613
615
  # via emmet-builders (setup.py)
614
616
  typing-extensions==4.12.2
615
617
  # via
@@ -628,15 +630,15 @@ tzdata==2024.1
628
630
  # via pandas
629
631
  uncertainties==3.2.2
630
632
  # via pymatgen
631
- urllib3==2.2.2
633
+ urllib3==2.2.3
632
634
  # via
633
635
  # botocore
634
636
  # requests
635
637
  # torchdata
636
638
  # types-requests
637
- virtualenv==20.26.3
639
+ virtualenv==20.26.5
638
640
  # via pre-commit
639
- watchdog==5.0.1
641
+ watchdog==5.0.2
640
642
  # via mkdocs
641
643
  wcmatch==9.0
642
644
  # via mkdocs-awesome-pages-plugin
@@ -644,7 +646,7 @@ wincertstore==0.2.1
644
646
  # via emmet-builders (setup.py)
645
647
  wrapt==1.16.0
646
648
  # via smart-open
647
- yarl==1.9.7
649
+ yarl==1.11.1
648
650
  # via aiohttp
649
651
 
650
652
  # The following packages are considered to be unsafe in a requirements file: