emmet-builders 0.78.0rc1__tar.gz → 0.78.0rc2__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

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  1. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/PKG-INFO +1 -1
  2. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet_builders.egg-info/PKG-INFO +1 -1
  3. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/ubuntu-latest_py3.10.txt +35 -36
  4. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/ubuntu-latest_py3.10_extras.txt +46 -47
  5. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/ubuntu-latest_py3.11.txt +35 -36
  6. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/ubuntu-latest_py3.11_extras.txt +46 -47
  7. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/ubuntu-latest_py3.9.txt +35 -36
  8. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/ubuntu-latest_py3.9_extras.txt +45 -46
  9. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_basic_descriptors.py +11 -10
  10. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_similarity.py +10 -9
  11. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/__init__.py +0 -0
  12. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/abinit/__init__.py +0 -0
  13. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/abinit/phonon.py +0 -0
  14. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/abinit/sound_velocity.py +0 -0
  15. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/feff/__init__.py +0 -0
  16. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/feff/xas.py +0 -0
  17. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/__init__.py +0 -0
  18. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/absorption_spectrum.py +0 -0
  19. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/alloys.py +0 -0
  20. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/basic_descriptors.py +0 -0
  21. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/bonds.py +0 -0
  22. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/chemenv.py +0 -0
  23. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/corrected_entries.py +0 -0
  24. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/dielectric.py +0 -0
  25. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/elasticity.py +0 -0
  26. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/electrodes.py +0 -0
  27. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/electronic_structure.py +0 -0
  28. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/magnetism.py +0 -0
  29. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/ml.py +0 -0
  30. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/optimade.py +0 -0
  31. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/oxidation_states.py +0 -0
  32. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/piezoelectric.py +0 -0
  33. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/provenance.py +0 -0
  34. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/robocrys.py +0 -0
  35. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/similarity.py +0 -0
  36. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/substrates.py +0 -0
  37. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/summary.py +0 -0
  38. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/materials/thermo.py +0 -0
  39. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/matscholar/missing_compositions.py +0 -0
  40. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/mobility/__init__.py +0 -0
  41. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/mobility/migration_graph.py +0 -0
  42. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/__init__.py +0 -0
  43. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/atomic.py +0 -0
  44. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/bonds.py +0 -0
  45. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/metal_binding.py +0 -0
  46. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/orbitals.py +0 -0
  47. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/redox.py +0 -0
  48. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/summary.py +0 -0
  49. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/thermo.py +0 -0
  50. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/molecules/vibration.py +0 -0
  51. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/qchem/__init__.py +0 -0
  52. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/qchem/molecules.py +0 -0
  53. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/settings.py +0 -0
  54. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/utils.py +0 -0
  55. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/vasp/__init__.py +0 -0
  56. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/vasp/materials.py +0 -0
  57. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet/builders/vasp/task_validator.py +0 -0
  58. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet_builders.egg-info/SOURCES.txt +0 -0
  59. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet_builders.egg-info/dependency_links.txt +0 -0
  60. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet_builders.egg-info/not-zip-safe +0 -0
  61. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet_builders.egg-info/requires.txt +0 -0
  62. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet_builders.egg-info/top_level.txt +0 -0
  63. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/deployment.txt +0 -0
  64. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/setup.cfg +0 -0
  65. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/setup.py +0 -0
  66. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/__init__.py +0 -0
  67. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/conftest.py +0 -0
  68. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/__init__.py +0 -0
  69. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_atomic.py +0 -0
  70. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_bonds.py +0 -0
  71. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_metal_binding.py +0 -0
  72. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_orbitals.py +0 -0
  73. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_redox.py +0 -0
  74. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_summary.py +0 -0
  75. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_thermo.py +0 -0
  76. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/molecules/test_vibration.py +0 -0
  77. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_absorption.py +0 -0
  78. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_chemenv.py +0 -0
  79. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_corrected_entries_thermo.py +0 -0
  80. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_dielectric.py +0 -0
  81. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_elasticity.py +0 -0
  82. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_electronic_structure.py +0 -0
  83. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_magnetism.py +0 -0
  84. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_materials.py +0 -0
  85. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_ml.py +0 -0
  86. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_mobility.py +0 -0
  87. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_oxidation.py +0 -0
  88. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_piezoelectric.py +0 -0
  89. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_qchem.py +0 -0
  90. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_summary.py +0 -0
  91. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_utils.py +0 -0
  92. {emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/tests/test_vasp.py +0 -0
{emmet-builders-0.78.0rc1 → emmet-builders-0.78.0rc2}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.78.0rc1
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+ Version: 0.78.0rc2
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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-0.78.0rc1 → emmet-builders-0.78.0rc2}/emmet_builders.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
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2
  Name: emmet-builders
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- Version: 0.78.0rc1
3
+ Version: 0.78.0rc2
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-0.78.0rc1 → emmet-builders-0.78.0rc2}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -4,7 +4,7 @@
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  #
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  # pip-compile --output-file=requirements/ubuntu-latest_py3.10.txt
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  #
7
- aiohttp==3.9.1
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+ aiohttp==3.9.3
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  # via fsspec
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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
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- chgnet==0.3.3
47
+ chgnet==0.3.4
48
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  # via emmet-core
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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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  # 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
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  # maggma
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  # pymongo
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- emmet-core[all,ml]==0.76.2
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+ emmet-core[all,ml]==0.77.1
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  # via emmet-builders (setup.py)
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  exceptiongroup==1.2.0
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  # via anyio
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- fastapi==0.109.0
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+ fastapi==0.109.2
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  # via maggma
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  filelock==3.13.1
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  # via
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  # torch
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  # triton
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- 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
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+ 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
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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
332
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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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372
  # phonopy
374
373
  # pymatgen
@@ -376,7 +375,7 @@ spglib==2.2.0
376
375
  # seekpath
377
376
  sshtunnel==0.4.0
378
377
  # via maggma
379
- starlette==0.35.1
378
+ starlette==0.36.3
380
379
  # via fastapi
381
380
  sympy==1.12
382
381
  # via
@@ -389,22 +388,22 @@ tenacity==8.2.3
389
388
  # via plotly
390
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-0.78.0rc1 → emmet-builders-0.78.0rc2}/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