emmet-builders 0.82.0__tar.gz → 0.82.1__tar.gz

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Files changed (93) hide show
  1. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/PKG-INFO +1 -1
  2. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet_builders.egg-info/PKG-INFO +1 -1
  3. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.10.txt +41 -37
  4. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.10_extras.txt +50 -46
  5. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.11.txt +41 -37
  6. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.11_extras.txt +50 -46
  7. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.9.txt +46 -40
  8. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.9_extras.txt +52 -47
  9. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/__init__.py +0 -0
  10. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/abinit/__init__.py +0 -0
  11. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/abinit/phonon.py +0 -0
  12. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/abinit/sound_velocity.py +0 -0
  13. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/feff/__init__.py +0 -0
  14. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/feff/xas.py +0 -0
  15. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/__init__.py +0 -0
  16. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/absorption_spectrum.py +0 -0
  17. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/alloys.py +0 -0
  18. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/basic_descriptors.py +0 -0
  19. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/bonds.py +0 -0
  20. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/chemenv.py +0 -0
  21. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/corrected_entries.py +0 -0
  22. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/dielectric.py +0 -0
  23. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/elasticity.py +0 -0
  24. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/electrodes.py +0 -0
  25. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/electronic_structure.py +0 -0
  26. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/magnetism.py +0 -0
  27. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/ml.py +0 -0
  28. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/optimade.py +0 -0
  29. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/oxidation_states.py +0 -0
  30. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/piezoelectric.py +0 -0
  31. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/provenance.py +0 -0
  32. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/robocrys.py +0 -0
  33. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/similarity.py +0 -0
  34. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/substrates.py +0 -0
  35. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/summary.py +0 -0
  36. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/materials/thermo.py +0 -0
  37. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/matscholar/missing_compositions.py +0 -0
  38. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/mobility/__init__.py +0 -0
  39. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/mobility/migration_graph.py +0 -0
  40. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/__init__.py +0 -0
  41. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/atomic.py +0 -0
  42. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/bonds.py +0 -0
  43. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/metal_binding.py +0 -0
  44. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/orbitals.py +0 -0
  45. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/redox.py +0 -0
  46. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/summary.py +0 -0
  47. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/thermo.py +0 -0
  48. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/molecules/vibration.py +0 -0
  49. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/qchem/__init__.py +0 -0
  50. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/qchem/molecules.py +0 -0
  51. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/settings.py +0 -0
  52. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/utils.py +0 -0
  53. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/vasp/__init__.py +0 -0
  54. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/vasp/materials.py +0 -0
  55. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  56. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet/builders/vasp/task_validator.py +0 -0
  57. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet_builders.egg-info/SOURCES.txt +0 -0
  58. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet_builders.egg-info/dependency_links.txt +0 -0
  59. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet_builders.egg-info/not-zip-safe +0 -0
  60. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet_builders.egg-info/requires.txt +0 -0
  61. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet_builders.egg-info/top_level.txt +0 -0
  62. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/deployment.txt +0 -0
  63. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/setup.cfg +0 -0
  64. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/setup.py +0 -0
  65. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/__init__.py +0 -0
  66. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/conftest.py +0 -0
  67. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/__init__.py +0 -0
  68. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_atomic.py +0 -0
  69. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_bonds.py +0 -0
  70. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_metal_binding.py +0 -0
  71. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_orbitals.py +0 -0
  72. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_redox.py +0 -0
  73. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_summary.py +0 -0
  74. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_thermo.py +0 -0
  75. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/molecules/test_vibration.py +0 -0
  76. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_absorption.py +0 -0
  77. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_basic_descriptors.py +0 -0
  78. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_chemenv.py +0 -0
  79. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_corrected_entries_thermo.py +0 -0
  80. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_dielectric.py +0 -0
  81. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_elasticity.py +0 -0
  82. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_electronic_structure.py +0 -0
  83. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_magnetism.py +0 -0
  84. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_materials.py +0 -0
  85. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_ml.py +0 -0
  86. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_mobility.py +0 -0
  87. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_oxidation.py +0 -0
  88. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_piezoelectric.py +0 -0
  89. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_qchem.py +0 -0
  90. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_similarity.py +0 -0
  91. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_summary.py +0 -0
  92. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_utils.py +0 -0
  93. {emmet-builders-0.82.0 → emmet-builders-0.82.1}/tests/test_vasp.py +0 -0
{emmet-builders-0.82.0 → emmet-builders-0.82.1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
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2
  Name: emmet-builders
3
- Version: 0.82.0
3
+ Version: 0.82.1
4
4
  Summary: Builders for the Emmet Library
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5
  Home-page: https://github.com/materialsproject/emmet
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  Author: The Materials Project
{emmet-builders-0.82.0 → emmet-builders-0.82.1}/emmet_builders.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: emmet-builders
3
- Version: 0.82.0
3
+ Version: 0.82.1
4
4
  Summary: Builders for the Emmet Library
5
5
  Home-page: https://github.com/materialsproject/emmet
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  Author: The Materials Project
{emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -30,9 +30,9 @@ bcrypt==4.1.2
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  # via paramiko
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  blinker==1.7.0
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  # via flask
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- boto3==1.34.59
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+ boto3==1.34.76
34
34
  # via maggma
35
- botocore==1.34.59
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+ botocore==1.34.76
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  # via
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  # boto3
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  # s3transfer
@@ -44,20 +44,20 @@ cffi==1.16.0
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  # pynacl
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  charset-normalizer==3.3.2
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  # via requests
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- chgnet==0.3.4
47
+ chgnet==0.3.5
48
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  # via emmet-core
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  click==8.1.7
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  # via
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  # flask
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  # mongogrant
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  # uvicorn
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- contourpy==1.2.0
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+ contourpy==1.2.1
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  # via matplotlib
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  cryptography==42.0.5
57
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  # via paramiko
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  cycler==0.12.1
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  # via matplotlib
60
- cython==3.0.9
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+ cython==3.0.10
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  # via chgnet
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  dgl==2.1.0
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  # via matgl
@@ -65,32 +65,30 @@ dnspython==2.6.1
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  # via
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  # maggma
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  # pymongo
68
- emmet-core[all,ml]==0.78.7
68
+ emmet-core[all,ml]==0.82.0
69
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  # via emmet-builders (setup.py)
70
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  exceptiongroup==1.2.0
71
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  # via anyio
72
- fastapi==0.110.0
72
+ fastapi==0.110.1
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  # via maggma
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- filelock==3.13.1
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+ filelock==3.13.3
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75
  # via
76
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  # torch
77
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  # triton
78
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  flask==3.0.2
79
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  # via mongogrant
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- fonttools==4.49.0
80
+ fonttools==4.50.0
81
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  # via matplotlib
82
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  frozenlist==1.4.1
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  # via
84
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  # aiohttp
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  # aiosignal
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- fsspec[http]==2024.2.0
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+ fsspec[http]==2024.3.1
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  # via
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  # pytorch-lightning
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  # torch
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  future==1.0.0
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- # via
92
- # matminer
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- # uncertainties
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+ # via uncertainties
94
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  h11==0.14.0
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  # via uvicorn
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  h5py==3.10.0
@@ -100,7 +98,7 @@ idna==3.6
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  # anyio
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  # requests
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  # yarl
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- inflect==7.0.0
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+ inflect==7.2.0
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  # via robocrys
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  itsdangerous==2.1.2
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  # via flask
@@ -126,11 +124,11 @@ kiwisolver==1.4.5
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  # via matplotlib
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  latexcodec==3.0.0
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  # via pybtex
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- lightning-utilities==0.10.1
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+ lightning-utilities==0.11.2
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  # via
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  # pytorch-lightning
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  # torchmetrics
133
- maggma==0.63.4
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+ maggma==0.64.0
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  # via emmet-builders (setup.py)
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  markupsafe==2.1.5
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  # via
@@ -140,7 +138,7 @@ matcalc==0.0.4
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  # via emmet-core
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  matgl==1.0.0
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  # via emmet-core
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- matminer==0.9.0
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+ matminer==0.9.2
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  # via
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  # emmet-builders (setup.py)
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  # robocrys
@@ -153,13 +151,15 @@ mongogrant==0.3.3
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  # via maggma
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  mongomock==4.1.2
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  # via maggma
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- monty==2024.2.26
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+ monty==2024.3.31
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  # via
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  # emmet-core
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  # maggma
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  # matminer
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  # pymatgen
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  # robocrys
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+ more-itertools==10.2.0
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+ # via inflect
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  mpmath==1.3.0
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  # via sympy
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  msgpack==1.0.8
@@ -228,7 +228,7 @@ nvidia-nvjitlink-cu12==12.4.99
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  # nvidia-cusparse-cu12
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  nvidia-nvtx-cu12==12.1.105
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  # via torch
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- orjson==3.9.15
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+ orjson==3.10.0
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  # via maggma
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  packaging==24.0
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  # via
@@ -240,17 +240,17 @@ packaging==24.0
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  # torchmetrics
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  palettable==3.3.3
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  # via pymatgen
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- pandas==1.5.3
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+ pandas==2.2.1
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  # via
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  # matminer
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  # pymatgen
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  paramiko==3.4.0
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  # via sshtunnel
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- phonopy==2.21.2
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+ phonopy==2.22.1
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  # via matcalc
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- pillow==10.2.0
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+ pillow==10.3.0
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  # via matplotlib
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- plotly==5.19.0
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+ plotly==5.20.0
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  # via pymatgen
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  psutil==5.9.8
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  # via dgl
@@ -261,13 +261,12 @@ pybtex==0.24.0
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  # emmet-core
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  # pymatgen
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  # robocrys
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- pycparser==2.21
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+ pycparser==2.22
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  # via cffi
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- pydantic==2.6.3
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+ pydantic==2.6.4
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  # via
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  # emmet-core
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  # fastapi
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- # inflect
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  # maggma
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  # pydantic-settings
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  pydantic-core==2.16.3
@@ -276,7 +275,7 @@ pydantic-settings==2.2.1
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  # via
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  # emmet-core
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  # maggma
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- pydash==7.0.7
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+ pydash==8.0.0
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  # via maggma
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  pymatgen==2024.3.1
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  # via
@@ -292,7 +291,7 @@ 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==4.6.2
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+ pymongo==4.6.3
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  # via
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  # maggma
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  # matminer
@@ -320,7 +319,7 @@ pyyaml==6.0.1
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  # pytorch-lightning
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  pyzmq==25.1.2
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  # via maggma
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- referencing==0.33.0
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+ referencing==0.34.0
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  # via
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  # jsonschema
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  # jsonschema-specifications
@@ -344,7 +343,7 @@ ruamel-yaml==0.17.40
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  # robocrys
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  ruamel-yaml-clib==0.2.8
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  # via ruamel-yaml
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- s3transfer==0.10.0
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+ s3transfer==0.10.1
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  # via boto3
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  scikit-learn==1.4.1.post1
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  # via matminer
@@ -375,7 +374,7 @@ spglib==2.3.1
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  # seekpath
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  sshtunnel==0.4.0
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  # via maggma
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- starlette==0.36.3
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+ starlette==0.37.2
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  # via fastapi
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  sympy==1.12
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  # via
@@ -386,9 +385,9 @@ tabulate==0.9.0
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  # via pymatgen
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  tenacity==8.2.3
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  # via plotly
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- threadpoolctl==3.3.0
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+ threadpoolctl==3.4.0
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  # via scikit-learn
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- torch==2.2.1
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+ torch==2.2.2
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  # via
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  # chgnet
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  # matgl
@@ -397,7 +396,7 @@ torch==2.2.1
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  # torchmetrics
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  torchdata==0.7.1
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  # via dgl
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- torchmetrics==1.3.1
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+ torchmetrics==1.3.2
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  # via pytorch-lightning
402
401
  tqdm==4.66.2
403
402
  # via
@@ -408,6 +407,8 @@ tqdm==4.66.2
408
407
  # pytorch-lightning
409
408
  triton==2.2.0
410
409
  # via torch
410
+ typeguard==4.2.1
411
+ # via inflect
411
412
  typing-extensions==4.10.0
412
413
  # via
413
414
  # anyio
@@ -420,17 +421,20 @@ typing-extensions==4.10.0
420
421
  # pydash
421
422
  # pytorch-lightning
422
423
  # torch
424
+ # typeguard
423
425
  # uvicorn
426
+ tzdata==2024.1
427
+ # via pandas
424
428
  uncertainties==3.1.7
425
429
  # via pymatgen
426
- urllib3==2.0.7
430
+ urllib3==2.2.1
427
431
  # via
428
432
  # botocore
429
433
  # requests
430
434
  # torchdata
431
- uvicorn==0.28.0
435
+ uvicorn==0.29.0
432
436
  # via maggma
433
- werkzeug==3.0.1
437
+ werkzeug==3.0.2
434
438
  # via flask
435
439
  yarl==1.9.4
436
440
  # via aiohttp
{emmet-builders-0.82.0 → emmet-builders-0.82.1}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -30,9 +30,9 @@ bcrypt==4.1.2
30
30
  # via paramiko
31
31
  blinker==1.7.0
32
32
  # via flask
33
- boto3==1.34.59
33
+ boto3==1.34.76
34
34
  # via maggma
35
- botocore==1.34.59
35
+ botocore==1.34.76
36
36
  # via
37
37
  # boto3
38
38
  # s3transfer
@@ -48,7 +48,7 @@ cfgv==3.4.0
48
48
  # via pre-commit
49
49
  charset-normalizer==3.3.2
50
50
  # via requests
51
- chgnet==0.3.4
51
+ chgnet==0.3.5
52
52
  # via emmet-core
53
53
  click==8.1.7
54
54
  # via
@@ -59,9 +59,9 @@ click==8.1.7
59
59
  # uvicorn
60
60
  colorama==0.4.6
61
61
  # via griffe
62
- contourpy==1.2.0
62
+ contourpy==1.2.1
63
63
  # via matplotlib
64
- coverage[toml]==7.4.3
64
+ coverage[toml]==7.4.4
65
65
  # via pytest-cov
66
66
  cryptography==42.0.5
67
67
  # via paramiko
@@ -69,7 +69,7 @@ csscompressor==0.9.5
69
69
  # via mkdocs-minify-plugin
70
70
  cycler==0.12.1
71
71
  # via matplotlib
72
- cython==3.0.9
72
+ cython==3.0.10
73
73
  # via chgnet
74
74
  dgl==2.1.0
75
75
  # via matgl
@@ -79,15 +79,15 @@ dnspython==2.6.1
79
79
  # via
80
80
  # maggma
81
81
  # pymongo
82
- emmet-core[all,ml]==0.78.7
82
+ emmet-core[all,ml]==0.82.0
83
83
  # via emmet-builders (setup.py)
84
84
  exceptiongroup==1.2.0
85
85
  # via
86
86
  # anyio
87
87
  # pytest
88
- fastapi==0.110.0
88
+ fastapi==0.110.1
89
89
  # via maggma
90
- filelock==3.13.1
90
+ filelock==3.13.3
91
91
  # via
92
92
  # torch
93
93
  # triton
@@ -96,23 +96,21 @@ flake8==7.0.0
96
96
  # via emmet-builders (setup.py)
97
97
  flask==3.0.2
98
98
  # via mongogrant
99
- fonttools==4.49.0
99
+ fonttools==4.50.0
100
100
  # via matplotlib
101
101
  frozenlist==1.4.1
102
102
  # via
103
103
  # aiohttp
104
104
  # aiosignal
105
- fsspec[http]==2024.2.0
105
+ fsspec[http]==2024.3.1
106
106
  # via
107
107
  # pytorch-lightning
108
108
  # torch
109
109
  future==1.0.0
110
- # via
111
- # matminer
112
- # uncertainties
110
+ # via uncertainties
113
111
  ghp-import==2.1.0
114
112
  # via mkdocs
115
- griffe==0.41.3
113
+ griffe==0.42.1
116
114
  # via mkdocstrings-python
117
115
  h11==0.14.0
118
116
  # via uvicorn
@@ -127,7 +125,7 @@ idna==3.6
127
125
  # anyio
128
126
  # requests
129
127
  # yarl
130
- inflect==7.0.0
128
+ inflect==7.2.0
131
129
  # via robocrys
132
130
  iniconfig==2.0.0
133
131
  # via pytest
@@ -161,15 +159,15 @@ kiwisolver==1.4.5
161
159
  # via matplotlib
162
160
  latexcodec==3.0.0
163
161
  # via pybtex
164
- lightning-utilities==0.10.1
162
+ lightning-utilities==0.11.2
165
163
  # via
166
164
  # pytorch-lightning
167
165
  # torchmetrics
168
166
  livereload==2.6.3
169
167
  # via emmet-builders (setup.py)
170
- maggma==0.63.4
168
+ maggma==0.64.0
171
169
  # via emmet-builders (setup.py)
172
- markdown==3.5.2
170
+ markdown==3.6
173
171
  # via
174
172
  # mkdocs
175
173
  # mkdocs-autorefs
@@ -187,7 +185,7 @@ matcalc==0.0.4
187
185
  # via emmet-core
188
186
  matgl==1.0.0
189
187
  # via emmet-core
190
- matminer==0.9.0
188
+ matminer==0.9.2
191
189
  # via
192
190
  # emmet-builders (setup.py)
193
191
  # robocrys
@@ -223,23 +221,25 @@ mkdocs-material-extensions==1.3.1
223
221
  # mkdocs-material
224
222
  mkdocs-minify-plugin==0.8.0
225
223
  # via emmet-builders (setup.py)
226
- mkdocstrings[python]==0.24.1
224
+ mkdocstrings[python]==0.24.2
227
225
  # via
228
226
  # emmet-builders (setup.py)
229
227
  # mkdocstrings-python
230
- mkdocstrings-python==1.8.0
228
+ mkdocstrings-python==1.9.2
231
229
  # via mkdocstrings
232
230
  mongogrant==0.3.3
233
231
  # via maggma
234
232
  mongomock==4.1.2
235
233
  # via maggma
236
- monty==2024.2.26
234
+ monty==2024.3.31
237
235
  # via
238
236
  # emmet-core
239
237
  # maggma
240
238
  # matminer
241
239
  # pymatgen
242
240
  # robocrys
241
+ more-itertools==10.2.0
242
+ # via inflect
243
243
  mpmath==1.3.0
244
244
  # via sympy
245
245
  msgpack==1.0.8
@@ -318,7 +318,7 @@ nvidia-nvjitlink-cu12==12.4.99
318
318
  # nvidia-cusparse-cu12
319
319
  nvidia-nvtx-cu12==12.1.105
320
320
  # via torch
321
- orjson==3.9.15
321
+ orjson==3.10.0
322
322
  # via maggma
323
323
  packaging==24.0
324
324
  # via
@@ -332,7 +332,7 @@ packaging==24.0
332
332
  # torchmetrics
333
333
  palettable==3.3.3
334
334
  # via pymatgen
335
- pandas==1.5.3
335
+ pandas==2.2.1
336
336
  # via
337
337
  # matminer
338
338
  # pymatgen
@@ -340,20 +340,20 @@ paramiko==3.4.0
340
340
  # via sshtunnel
341
341
  pathspec==0.12.1
342
342
  # via mkdocs
343
- phonopy==2.21.2
343
+ phonopy==2.22.1
344
344
  # via matcalc
345
- pillow==10.2.0
345
+ pillow==10.3.0
346
346
  # via matplotlib
347
347
  platformdirs==4.2.0
348
348
  # via
349
349
  # mkdocs
350
350
  # mkdocstrings
351
351
  # virtualenv
352
- plotly==5.19.0
352
+ plotly==5.20.0
353
353
  # via pymatgen
354
354
  pluggy==1.4.0
355
355
  # via pytest
356
- pre-commit==3.6.2
356
+ pre-commit==3.7.0
357
357
  # via emmet-builders (setup.py)
358
358
  psutil==5.9.8
359
359
  # via dgl
@@ -368,13 +368,12 @@ pycodestyle==2.11.1
368
368
  # via
369
369
  # emmet-builders (setup.py)
370
370
  # flake8
371
- pycparser==2.21
371
+ pycparser==2.22
372
372
  # via cffi
373
- pydantic==2.6.3
373
+ pydantic==2.6.4
374
374
  # via
375
375
  # emmet-core
376
376
  # fastapi
377
- # inflect
378
377
  # maggma
379
378
  # pydantic-settings
380
379
  pydantic-core==2.16.3
@@ -383,7 +382,7 @@ pydantic-settings==2.2.1
383
382
  # via
384
383
  # emmet-core
385
384
  # maggma
386
- pydash==7.0.7
385
+ pydash==8.0.0
387
386
  # via maggma
388
387
  pydocstyle==6.3.0
389
388
  # via emmet-builders (setup.py)
@@ -409,7 +408,7 @@ pymdown-extensions==10.7.1
409
408
  # via
410
409
  # mkdocs-material
411
410
  # mkdocstrings
412
- pymongo==4.6.2
411
+ pymongo==4.6.3
413
412
  # via
414
413
  # maggma
415
414
  # matminer
@@ -422,7 +421,7 @@ pytest==8.1.1
422
421
  # via
423
422
  # emmet-builders (setup.py)
424
423
  # pytest-cov
425
- pytest-cov==4.1.0
424
+ pytest-cov==5.0.0
426
425
  # via emmet-builders (setup.py)
427
426
  python-dateutil==2.9.0.post0
428
427
  # via
@@ -451,7 +450,7 @@ pyyaml-env-tag==0.1
451
450
  # via mkdocs
452
451
  pyzmq==25.1.2
453
452
  # via maggma
454
- referencing==0.33.0
453
+ referencing==0.34.0
455
454
  # via
456
455
  # jsonschema
457
456
  # jsonschema-specifications
@@ -475,7 +474,7 @@ ruamel-yaml==0.17.40
475
474
  # robocrys
476
475
  ruamel-yaml-clib==0.2.8
477
476
  # via ruamel-yaml
478
- s3transfer==0.10.0
477
+ s3transfer==0.10.1
479
478
  # via boto3
480
479
  scikit-learn==1.4.1.post1
481
480
  # via matminer
@@ -509,7 +508,7 @@ spglib==2.3.1
509
508
  # seekpath
510
509
  sshtunnel==0.4.0
511
510
  # via maggma
512
- starlette==0.36.3
511
+ starlette==0.37.2
513
512
  # via fastapi
514
513
  sympy==1.12
515
514
  # via
@@ -520,14 +519,14 @@ tabulate==0.9.0
520
519
  # via pymatgen
521
520
  tenacity==8.2.3
522
521
  # via plotly
523
- threadpoolctl==3.3.0
522
+ threadpoolctl==3.4.0
524
523
  # via scikit-learn
525
524
  tomli==2.0.1
526
525
  # via
527
526
  # coverage
528
527
  # mypy
529
528
  # pytest
530
- torch==2.2.1
529
+ torch==2.2.2
531
530
  # via
532
531
  # chgnet
533
532
  # matgl
@@ -536,7 +535,7 @@ torch==2.2.1
536
535
  # torchmetrics
537
536
  torchdata==0.7.1
538
537
  # via dgl
539
- torchmetrics==1.3.1
538
+ torchmetrics==1.3.2
540
539
  # via pytorch-lightning
541
540
  tornado==6.4
542
541
  # via livereload
@@ -549,9 +548,11 @@ tqdm==4.66.2
549
548
  # pytorch-lightning
550
549
  triton==2.2.0
551
550
  # via torch
552
- types-requests==2.31.0.20240311
551
+ typeguard==4.2.1
552
+ # via inflect
553
+ types-requests==2.31.0.20240402
553
554
  # via emmet-builders (setup.py)
554
- types-setuptools==69.1.0.20240310
555
+ types-setuptools==69.2.0.20240317
555
556
  # via emmet-builders (setup.py)
556
557
  typing-extensions==4.10.0
557
558
  # via
@@ -566,16 +567,19 @@ typing-extensions==4.10.0
566
567
  # pydash
567
568
  # pytorch-lightning
568
569
  # torch
570
+ # typeguard
569
571
  # uvicorn
572
+ tzdata==2024.1
573
+ # via pandas
570
574
  uncertainties==3.1.7
571
575
  # via pymatgen
572
- urllib3==2.0.7
576
+ urllib3==2.2.1
573
577
  # via
574
578
  # botocore
575
579
  # requests
576
580
  # torchdata
577
581
  # types-requests
578
- uvicorn==0.28.0
582
+ uvicorn==0.29.0
579
583
  # via maggma
580
584
  virtualenv==20.25.1
581
585
  # via pre-commit
@@ -583,7 +587,7 @@ watchdog==4.0.0
583
587
  # via mkdocs
584
588
  wcmatch==8.5.1
585
589
  # via mkdocs-awesome-pages-plugin
586
- werkzeug==3.0.1
590
+ werkzeug==3.0.2
587
591
  # via flask
588
592
  wincertstore==0.2
589
593
  # via emmet-builders (setup.py)