emmet-builders 0.77.1__tar.gz → 0.78.0rc3__tar.gz

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Files changed (92) hide show
  1. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/PKG-INFO +1 -1
  2. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet_builders.egg-info/PKG-INFO +1 -1
  3. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.10.txt +35 -36
  4. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.10_extras.txt +46 -47
  5. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.11.txt +35 -36
  6. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.11_extras.txt +46 -47
  7. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.9.txt +35 -36
  8. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.9_extras.txt +45 -46
  9. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_basic_descriptors.py +11 -10
  10. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_similarity.py +10 -9
  11. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/__init__.py +0 -0
  12. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/abinit/__init__.py +0 -0
  13. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/abinit/phonon.py +0 -0
  14. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/abinit/sound_velocity.py +0 -0
  15. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/feff/__init__.py +0 -0
  16. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/feff/xas.py +0 -0
  17. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/__init__.py +0 -0
  18. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/absorption_spectrum.py +0 -0
  19. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/alloys.py +0 -0
  20. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/basic_descriptors.py +0 -0
  21. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/bonds.py +0 -0
  22. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/chemenv.py +0 -0
  23. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/corrected_entries.py +0 -0
  24. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/dielectric.py +0 -0
  25. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/elasticity.py +0 -0
  26. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/electrodes.py +0 -0
  27. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/electronic_structure.py +0 -0
  28. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/magnetism.py +0 -0
  29. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/ml.py +0 -0
  30. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/optimade.py +0 -0
  31. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/oxidation_states.py +0 -0
  32. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/piezoelectric.py +0 -0
  33. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/provenance.py +0 -0
  34. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/robocrys.py +0 -0
  35. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/similarity.py +0 -0
  36. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/substrates.py +0 -0
  37. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/summary.py +0 -0
  38. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/materials/thermo.py +0 -0
  39. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/matscholar/missing_compositions.py +0 -0
  40. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/mobility/__init__.py +0 -0
  41. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/mobility/migration_graph.py +0 -0
  42. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/__init__.py +0 -0
  43. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/atomic.py +0 -0
  44. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/bonds.py +0 -0
  45. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/metal_binding.py +0 -0
  46. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/orbitals.py +0 -0
  47. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/redox.py +0 -0
  48. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/summary.py +0 -0
  49. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/thermo.py +0 -0
  50. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/molecules/vibration.py +0 -0
  51. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/qchem/__init__.py +0 -0
  52. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/qchem/molecules.py +0 -0
  53. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/settings.py +0 -0
  54. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/utils.py +0 -0
  55. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/vasp/__init__.py +0 -0
  56. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/vasp/materials.py +0 -0
  57. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet/builders/vasp/task_validator.py +0 -0
  58. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet_builders.egg-info/SOURCES.txt +0 -0
  59. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet_builders.egg-info/dependency_links.txt +0 -0
  60. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet_builders.egg-info/not-zip-safe +0 -0
  61. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet_builders.egg-info/requires.txt +0 -0
  62. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet_builders.egg-info/top_level.txt +0 -0
  63. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/deployment.txt +0 -0
  64. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/setup.cfg +0 -0
  65. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/setup.py +0 -0
  66. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/__init__.py +0 -0
  67. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/conftest.py +0 -0
  68. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/__init__.py +0 -0
  69. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_atomic.py +0 -0
  70. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_bonds.py +0 -0
  71. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_metal_binding.py +0 -0
  72. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_orbitals.py +0 -0
  73. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_redox.py +0 -0
  74. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_summary.py +0 -0
  75. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_thermo.py +0 -0
  76. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/molecules/test_vibration.py +0 -0
  77. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_absorption.py +0 -0
  78. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_chemenv.py +0 -0
  79. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_corrected_entries_thermo.py +0 -0
  80. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_dielectric.py +0 -0
  81. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_elasticity.py +0 -0
  82. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_electronic_structure.py +0 -0
  83. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_magnetism.py +0 -0
  84. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_materials.py +0 -0
  85. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_ml.py +0 -0
  86. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_mobility.py +0 -0
  87. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_oxidation.py +0 -0
  88. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_piezoelectric.py +0 -0
  89. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_qchem.py +0 -0
  90. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_summary.py +0 -0
  91. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_utils.py +0 -0
  92. {emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/tests/test_vasp.py +0 -0
{emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.77.1
3
+ Version: 0.78.0rc3
4
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  Summary: Builders for the Emmet Library
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  Home-page: https://github.com/materialsproject/emmet
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  Author: The Materials Project
{emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/emmet_builders.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: emmet-builders
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- Version: 0.77.1
3
+ Version: 0.78.0rc3
4
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  Summary: Builders for the Emmet Library
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  Home-page: https://github.com/materialsproject/emmet
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  Author: The Materials Project
{emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -4,7 +4,7 @@
4
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  #
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  # pip-compile --output-file=requirements/ubuntu-latest_py3.10.txt
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  #
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- aiohttp==3.9.1
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+ aiohttp==3.9.3
8
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  # via fsspec
9
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  aioitertools==0.11.0
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  # via maggma
@@ -30,13 +30,13 @@ 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==1.34.23
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+ boto3==1.34.41
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  # via maggma
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- botocore==1.34.23
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+ botocore==1.34.41
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  # via
37
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  # boto3
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  # s3transfer
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- certifi==2023.11.17
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+ certifi==2024.2.2
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  # via requests
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  cffi==1.16.0
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  # via
@@ -44,7 +44,7 @@ cffi==1.16.0
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  # pynacl
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  charset-normalizer==3.3.2
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  # via requests
47
- chgnet==0.3.3
47
+ chgnet==0.3.4
48
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  # via emmet-core
49
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  click==8.1.7
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  # via
@@ -53,7 +53,7 @@ click==8.1.7
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  # uvicorn
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  contourpy==1.2.0
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  # via matplotlib
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- cryptography==41.0.7
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+ cryptography==42.0.2
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57
  # via paramiko
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  cycler==0.12.1
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  # via matplotlib
@@ -65,25 +65,25 @@ dnspython==2.5.0
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  # via
66
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  # maggma
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  # pymongo
68
- emmet-core[all,ml]==0.76.2
68
+ emmet-core[all,ml]==0.77.1
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==0.109.0
72
+ fastapi==0.109.2
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  # via maggma
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  filelock==3.13.1
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  # via
76
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  # torch
77
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  # triton
78
- flask==3.0.1
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+ flask==3.0.2
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  # via mongogrant
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- fonttools==4.47.2
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+ fonttools==4.48.1
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  # via matplotlib
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  frozenlist==1.4.1
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  # via
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  # aiohttp
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  # aiosignal
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- fsspec[http]==2023.12.2
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+ fsspec[http]==2024.2.0
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  # via
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  # pytorch-lightning
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  # torch
@@ -130,15 +130,15 @@ lightning-utilities==0.10.1
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  # via
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  # pytorch-lightning
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  # torchmetrics
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- maggma==0.61.0
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+ maggma==0.62.1
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  # via emmet-builders (setup.py)
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- markupsafe==2.1.4
135
+ markupsafe==2.1.5
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  # via
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  # jinja2
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  # werkzeug
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  matcalc==0.0.4
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  # via emmet-core
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- matgl==0.9.1
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+ matgl==0.9.2
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  # via emmet-core
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  matminer==0.9.0
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  # via
@@ -153,7 +153,7 @@ 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==2023.11.3
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+ monty==2024.2.2
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  # via
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  # emmet-core
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  # maggma
@@ -164,7 +164,7 @@ mpmath==1.3.0
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  # via sympy
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  msgpack==1.0.7
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  # via maggma
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- multidict==6.0.4
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+ multidict==6.0.5
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  # via
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  # aiohttp
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  # yarl
@@ -174,7 +174,7 @@ networkx==3.2.1
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  # pymatgen
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  # robocrys
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  # torch
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- numpy==1.26.3
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+ numpy==1.26.4
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  # via
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  # ase
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  # chgnet
@@ -220,7 +220,7 @@ nvidia-cusparse-cu12==12.1.0.106
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  # torch
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  nvidia-ml-py3==7.352.0
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  # via chgnet
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- nvidia-nccl-cu12==2.18.1
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+ nvidia-nccl-cu12==2.19.3
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  # via torch
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  nvidia-nvjitlink-cu12==12.3.101
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  # via
@@ -228,7 +228,7 @@ nvidia-nvjitlink-cu12==12.3.101
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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==3.9.12
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+ orjson==3.9.13
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  # via maggma
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  packaging==23.2
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  # via
@@ -263,22 +263,22 @@ pybtex==0.24.0
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  # robocrys
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  pycparser==2.21
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  # via cffi
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- pydantic==2.5.3
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+ pydantic==2.6.1
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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==2.14.6
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+ pydantic-core==2.16.2
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  # via pydantic
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  pydantic-settings==2.1.0
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  # via
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  # emmet-core
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  # maggma
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- pydash==7.0.6
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+ pydash==7.0.7
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  # via maggma
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- pymatgen==2023.12.18
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+ pymatgen==2024.2.8
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  # via
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  # chgnet
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  # emmet-core
@@ -307,11 +307,11 @@ python-dateutil==2.8.2
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  # maggma
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  # matplotlib
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  # pandas
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- python-dotenv==1.0.0
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+ python-dotenv==1.0.1
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  # via pydantic-settings
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- pytorch-lightning==2.1.3
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+ pytorch-lightning==2.2.0.post0
313
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  # via matgl
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- pytz==2023.3.post1
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+ pytz==2024.1
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  # via pandas
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  pyyaml==6.0.1
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  # via
@@ -320,20 +320,19 @@ 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==0.32.1
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+ referencing==0.33.0
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  # via
325
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  # jsonschema
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  # jsonschema-specifications
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  requests==2.31.0
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  # via
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  # dgl
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- # fsspec
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  # matminer
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  # mongogrant
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  # pymatgen
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  robocrys==0.2.8
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  # via emmet-core
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- rpds-py==0.17.1
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+ rpds-py==0.18.0
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  # via
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  # jsonschema
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  # referencing
@@ -368,7 +367,7 @@ six==1.16.0
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  # python-dateutil
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  sniffio==1.3.0
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  # via anyio
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- spglib==2.2.0
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+ spglib==2.3.1
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  # via
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  # phonopy
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  # pymatgen
@@ -376,7 +375,7 @@ spglib==2.2.0
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  # seekpath
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  sshtunnel==0.4.0
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  # via maggma
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- starlette==0.35.1
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+ starlette==0.36.3
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  # via fastapi
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  sympy==1.12
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  # via
@@ -389,22 +388,22 @@ tenacity==8.2.3
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  # via plotly
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389
  threadpoolctl==3.2.0
391
390
  # via scikit-learn
392
- torch==2.1.2
391
+ torch==2.2.0
393
392
  # via
394
393
  # chgnet
395
394
  # matgl
396
395
  # pytorch-lightning
397
396
  # torchmetrics
398
- torchmetrics==1.3.0.post0
397
+ torchmetrics==1.3.1
399
398
  # via pytorch-lightning
400
- tqdm==4.66.1
399
+ tqdm==4.66.2
401
400
  # via
402
401
  # dgl
403
402
  # maggma
404
403
  # matminer
405
404
  # pymatgen
406
405
  # pytorch-lightning
407
- triton==2.1.0
406
+ triton==2.2.0
408
407
  # via torch
409
408
  typing-extensions==4.9.0
410
409
  # via
@@ -425,7 +424,7 @@ urllib3==2.0.7
425
424
  # via
426
425
  # botocore
427
426
  # requests
428
- uvicorn==0.26.0
427
+ uvicorn==0.27.1
429
428
  # via maggma
430
429
  werkzeug==3.0.1
431
430
  # via flask
{emmet-builders-0.77.1 → emmet-builders-0.78.0rc3}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -4,7 +4,7 @@
4
4
  #
5
5
  # pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.10_extras.txt
6
6
  #
7
- aiohttp==3.9.1
7
+ aiohttp==3.9.3
8
8
  # via fsspec
9
9
  aioitertools==0.11.0
10
10
  # via maggma
@@ -30,15 +30,15 @@ bcrypt==4.1.2
30
30
  # via paramiko
31
31
  blinker==1.7.0
32
32
  # via flask
33
- boto3==1.34.23
33
+ boto3==1.34.41
34
34
  # via maggma
35
- botocore==1.34.23
35
+ botocore==1.34.41
36
36
  # via
37
37
  # boto3
38
38
  # s3transfer
39
39
  bracex==2.4
40
40
  # via wcmatch
41
- certifi==2023.11.17
41
+ certifi==2024.2.2
42
42
  # via requests
43
43
  cffi==1.16.0
44
44
  # via
@@ -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==0.3.3
51
+ chgnet==0.3.4
52
52
  # via emmet-core
53
53
  click==8.1.7
54
54
  # via
@@ -61,11 +61,11 @@ colorama==0.4.6
61
61
  # via griffe
62
62
  contourpy==1.2.0
63
63
  # via matplotlib
64
- coverage[toml]==7.4.0
64
+ coverage[toml]==7.4.1
65
65
  # via
66
66
  # coverage
67
67
  # pytest-cov
68
- cryptography==41.0.7
68
+ cryptography==42.0.2
69
69
  # via paramiko
70
70
  csscompressor==0.9.5
71
71
  # via mkdocs-minify-plugin
@@ -81,13 +81,13 @@ dnspython==2.5.0
81
81
  # via
82
82
  # maggma
83
83
  # pymongo
84
- emmet-core[all,ml]==0.76.2
84
+ emmet-core[all,ml]==0.77.1
85
85
  # via emmet-builders (setup.py)
86
86
  exceptiongroup==1.2.0
87
87
  # via
88
88
  # anyio
89
89
  # pytest
90
- fastapi==0.109.0
90
+ fastapi==0.109.2
91
91
  # via maggma
92
92
  filelock==3.13.1
93
93
  # via
@@ -96,15 +96,15 @@ filelock==3.13.1
96
96
  # virtualenv
97
97
  flake8==7.0.0
98
98
  # via emmet-builders (setup.py)
99
- flask==3.0.1
99
+ flask==3.0.2
100
100
  # via mongogrant
101
- fonttools==4.47.2
101
+ fonttools==4.48.1
102
102
  # via matplotlib
103
103
  frozenlist==1.4.1
104
104
  # via
105
105
  # aiohttp
106
106
  # aiosignal
107
- fsspec[http]==2023.12.2
107
+ fsspec[http]==2024.2.0
108
108
  # via
109
109
  # pytorch-lightning
110
110
  # torch
@@ -114,7 +114,7 @@ future==0.18.3
114
114
  # uncertainties
115
115
  ghp-import==2.1.0
116
116
  # via mkdocs
117
- griffe==0.39.1
117
+ griffe==0.40.1
118
118
  # via mkdocstrings-python
119
119
  h11==0.14.0
120
120
  # via uvicorn
@@ -122,7 +122,7 @@ h5py==3.10.0
122
122
  # via phonopy
123
123
  htmlmin2==0.1.13
124
124
  # via mkdocs-minify-plugin
125
- identify==2.5.33
125
+ identify==2.5.34
126
126
  # via pre-commit
127
127
  idna==3.6
128
128
  # via
@@ -169,7 +169,7 @@ lightning-utilities==0.10.1
169
169
  # torchmetrics
170
170
  livereload==2.6.3
171
171
  # via emmet-builders (setup.py)
172
- maggma==0.61.0
172
+ maggma==0.62.1
173
173
  # via emmet-builders (setup.py)
174
174
  markdown==3.5.2
175
175
  # via
@@ -178,7 +178,7 @@ markdown==3.5.2
178
178
  # mkdocs-material
179
179
  # mkdocstrings
180
180
  # pymdown-extensions
181
- markupsafe==2.1.4
181
+ markupsafe==2.1.5
182
182
  # via
183
183
  # jinja2
184
184
  # mkdocs
@@ -186,7 +186,7 @@ markupsafe==2.1.4
186
186
  # werkzeug
187
187
  matcalc==0.0.4
188
188
  # via emmet-core
189
- matgl==0.9.1
189
+ matgl==0.9.2
190
190
  # via emmet-core
191
191
  matminer==0.9.0
192
192
  # via
@@ -222,7 +222,7 @@ mkdocs-material-extensions==1.3.1
222
222
  # via
223
223
  # emmet-builders (setup.py)
224
224
  # mkdocs-material
225
- mkdocs-minify-plugin==0.7.2
225
+ mkdocs-minify-plugin==0.8.0
226
226
  # via emmet-builders (setup.py)
227
227
  mkdocstrings[python]==0.24.0
228
228
  # via
@@ -234,7 +234,7 @@ mongogrant==0.3.3
234
234
  # via maggma
235
235
  mongomock==4.1.2
236
236
  # via maggma
237
- monty==2023.11.3
237
+ monty==2024.2.2
238
238
  # via
239
239
  # emmet-core
240
240
  # maggma
@@ -245,7 +245,7 @@ mpmath==1.3.0
245
245
  # via sympy
246
246
  msgpack==1.0.7
247
247
  # via maggma
248
- multidict==6.0.4
248
+ multidict==6.0.5
249
249
  # via
250
250
  # aiohttp
251
251
  # yarl
@@ -265,7 +265,7 @@ networkx==3.2.1
265
265
  # torch
266
266
  nodeenv==1.8.0
267
267
  # via pre-commit
268
- numpy==1.26.3
268
+ numpy==1.26.4
269
269
  # via
270
270
  # ase
271
271
  # chgnet
@@ -311,7 +311,7 @@ nvidia-cusparse-cu12==12.1.0.106
311
311
  # torch
312
312
  nvidia-ml-py3==7.352.0
313
313
  # via chgnet
314
- nvidia-nccl-cu12==2.18.1
314
+ nvidia-nccl-cu12==2.19.3
315
315
  # via torch
316
316
  nvidia-nvjitlink-cu12==12.3.101
317
317
  # via
@@ -319,7 +319,7 @@ nvidia-nvjitlink-cu12==12.3.101
319
319
  # nvidia-cusparse-cu12
320
320
  nvidia-nvtx-cu12==12.1.105
321
321
  # via torch
322
- orjson==3.9.12
322
+ orjson==3.9.13
323
323
  # via maggma
324
324
  packaging==23.2
325
325
  # via
@@ -345,16 +345,16 @@ phonopy==2.21.0
345
345
  # via matcalc
346
346
  pillow==10.2.0
347
347
  # via matplotlib
348
- platformdirs==4.1.0
348
+ platformdirs==4.2.0
349
349
  # via
350
350
  # mkdocs
351
351
  # mkdocstrings
352
352
  # virtualenv
353
353
  plotly==5.18.0
354
354
  # via pymatgen
355
- pluggy==1.3.0
355
+ pluggy==1.4.0
356
356
  # via pytest
357
- pre-commit==3.6.0
357
+ pre-commit==3.6.1
358
358
  # via emmet-builders (setup.py)
359
359
  psutil==5.9.8
360
360
  # via dgl
@@ -371,20 +371,20 @@ pycodestyle==2.11.1
371
371
  # flake8
372
372
  pycparser==2.21
373
373
  # via cffi
374
- pydantic==2.5.3
374
+ pydantic==2.6.1
375
375
  # via
376
376
  # emmet-core
377
377
  # fastapi
378
378
  # inflect
379
379
  # maggma
380
380
  # pydantic-settings
381
- pydantic-core==2.14.6
381
+ pydantic-core==2.16.2
382
382
  # via pydantic
383
383
  pydantic-settings==2.1.0
384
384
  # via
385
385
  # emmet-core
386
386
  # maggma
387
- pydash==7.0.6
387
+ pydash==7.0.7
388
388
  # via maggma
389
389
  pydocstyle==6.3.0
390
390
  # via emmet-builders (setup.py)
@@ -392,7 +392,7 @@ pyflakes==3.2.0
392
392
  # via flake8
393
393
  pygments==2.17.2
394
394
  # via mkdocs-material
395
- pymatgen==2023.12.18
395
+ pymatgen==2024.2.8
396
396
  # via
397
397
  # chgnet
398
398
  # emmet-core
@@ -419,7 +419,7 @@ pynacl==1.5.0
419
419
  # via paramiko
420
420
  pyparsing==3.1.1
421
421
  # via matplotlib
422
- pytest==7.4.4
422
+ pytest==8.0.0
423
423
  # via
424
424
  # emmet-builders (setup.py)
425
425
  # pytest-cov
@@ -432,11 +432,11 @@ python-dateutil==2.8.2
432
432
  # maggma
433
433
  # matplotlib
434
434
  # pandas
435
- python-dotenv==1.0.0
435
+ python-dotenv==1.0.1
436
436
  # via pydantic-settings
437
- pytorch-lightning==2.1.3
437
+ pytorch-lightning==2.2.0.post0
438
438
  # via matgl
439
- pytz==2023.3.post1
439
+ pytz==2024.1
440
440
  # via pandas
441
441
  pyyaml==6.0.1
442
442
  # via
@@ -452,20 +452,19 @@ pyyaml-env-tag==0.1
452
452
  # via mkdocs
453
453
  pyzmq==25.1.2
454
454
  # via maggma
455
- referencing==0.32.1
455
+ referencing==0.33.0
456
456
  # via
457
457
  # jsonschema
458
458
  # jsonschema-specifications
459
459
  requests==2.31.0
460
460
  # via
461
461
  # dgl
462
- # fsspec
463
462
  # matminer
464
463
  # mongogrant
465
464
  # pymatgen
466
465
  robocrys==0.2.8
467
466
  # via emmet-core
468
- rpds-py==0.17.1
467
+ rpds-py==0.18.0
469
468
  # via
470
469
  # jsonschema
471
470
  # referencing
@@ -503,7 +502,7 @@ sniffio==1.3.0
503
502
  # via anyio
504
503
  snowballstemmer==2.2.0
505
504
  # via pydocstyle
506
- spglib==2.2.0
505
+ spglib==2.3.1
507
506
  # via
508
507
  # phonopy
509
508
  # pymatgen
@@ -511,7 +510,7 @@ spglib==2.2.0
511
510
  # seekpath
512
511
  sshtunnel==0.4.0
513
512
  # via maggma
514
- starlette==0.35.1
513
+ starlette==0.36.3
515
514
  # via fastapi
516
515
  sympy==1.12
517
516
  # via
@@ -529,28 +528,28 @@ tomli==2.0.1
529
528
  # coverage
530
529
  # mypy
531
530
  # pytest
532
- torch==2.1.2
531
+ torch==2.2.0
533
532
  # via
534
533
  # chgnet
535
534
  # matgl
536
535
  # pytorch-lightning
537
536
  # torchmetrics
538
- torchmetrics==1.3.0.post0
537
+ torchmetrics==1.3.1
539
538
  # via pytorch-lightning
540
539
  tornado==6.4
541
540
  # via livereload
542
- tqdm==4.66.1
541
+ tqdm==4.66.2
543
542
  # via
544
543
  # dgl
545
544
  # maggma
546
545
  # matminer
547
546
  # pymatgen
548
547
  # pytorch-lightning
549
- triton==2.1.0
548
+ triton==2.2.0
550
549
  # via torch
551
- types-requests==2.31.0.20240106
550
+ types-requests==2.31.0.20240125
552
551
  # via emmet-builders (setup.py)
553
- types-setuptools==69.0.0.20240115
552
+ types-setuptools==69.0.0.20240125
554
553
  # via emmet-builders (setup.py)
555
554
  typing-extensions==4.9.0
556
555
  # via
@@ -573,11 +572,11 @@ urllib3==2.0.7
573
572
  # botocore
574
573
  # requests
575
574
  # types-requests
576
- uvicorn==0.26.0
575
+ uvicorn==0.27.1
577
576
  # via maggma
578
577
  virtualenv==20.25.0
579
578
  # via pre-commit
580
- watchdog==3.0.0
579
+ watchdog==4.0.0
581
580
  # via mkdocs
582
581
  wcmatch==8.5
583
582
  # via mkdocs-awesome-pages-plugin