emmet-builders 0.82.1__tar.gz → 0.83.0__tar.gz

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  1. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/PKG-INFO +1 -1
  2. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet_builders.egg-info/PKG-INFO +1 -1
  3. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.10.txt +27 -27
  4. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.10_extras.txt +31 -31
  5. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.11.txt +27 -27
  6. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.11_extras.txt +31 -31
  7. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.9.txt +29 -27
  8. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.9_extras.txt +32 -30
  9. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/__init__.py +0 -0
  10. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/abinit/__init__.py +0 -0
  11. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/abinit/phonon.py +0 -0
  12. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/abinit/sound_velocity.py +0 -0
  13. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/feff/__init__.py +0 -0
  14. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/feff/xas.py +0 -0
  15. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/__init__.py +0 -0
  16. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/absorption_spectrum.py +0 -0
  17. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/alloys.py +0 -0
  18. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/basic_descriptors.py +0 -0
  19. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/bonds.py +0 -0
  20. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/chemenv.py +0 -0
  21. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/corrected_entries.py +0 -0
  22. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/dielectric.py +0 -0
  23. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/elasticity.py +0 -0
  24. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/electrodes.py +0 -0
  25. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/electronic_structure.py +0 -0
  26. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/magnetism.py +0 -0
  27. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/ml.py +0 -0
  28. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/optimade.py +0 -0
  29. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/oxidation_states.py +0 -0
  30. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/piezoelectric.py +0 -0
  31. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/provenance.py +0 -0
  32. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/robocrys.py +0 -0
  33. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/similarity.py +0 -0
  34. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/substrates.py +0 -0
  35. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/summary.py +0 -0
  36. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/materials/thermo.py +0 -0
  37. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/matscholar/missing_compositions.py +0 -0
  38. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/mobility/__init__.py +0 -0
  39. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/mobility/migration_graph.py +0 -0
  40. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/__init__.py +0 -0
  41. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/atomic.py +0 -0
  42. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/bonds.py +0 -0
  43. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/metal_binding.py +0 -0
  44. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/orbitals.py +0 -0
  45. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/redox.py +0 -0
  46. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/summary.py +0 -0
  47. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/thermo.py +0 -0
  48. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/molecules/vibration.py +0 -0
  49. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/qchem/__init__.py +0 -0
  50. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/qchem/molecules.py +0 -0
  51. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/settings.py +0 -0
  52. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/utils.py +0 -0
  53. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/vasp/__init__.py +0 -0
  54. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/vasp/materials.py +0 -0
  55. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  56. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet/builders/vasp/task_validator.py +0 -0
  57. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet_builders.egg-info/SOURCES.txt +0 -0
  58. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet_builders.egg-info/dependency_links.txt +0 -0
  59. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet_builders.egg-info/not-zip-safe +0 -0
  60. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet_builders.egg-info/requires.txt +0 -0
  61. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/emmet_builders.egg-info/top_level.txt +0 -0
  62. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/deployment.txt +0 -0
  63. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/setup.cfg +0 -0
  64. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/setup.py +0 -0
  65. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/__init__.py +0 -0
  66. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/conftest.py +0 -0
  67. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/__init__.py +0 -0
  68. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_atomic.py +0 -0
  69. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_bonds.py +0 -0
  70. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_metal_binding.py +0 -0
  71. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_orbitals.py +0 -0
  72. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_redox.py +0 -0
  73. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_summary.py +0 -0
  74. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_thermo.py +0 -0
  75. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/molecules/test_vibration.py +0 -0
  76. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_absorption.py +0 -0
  77. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_basic_descriptors.py +0 -0
  78. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_chemenv.py +0 -0
  79. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_corrected_entries_thermo.py +0 -0
  80. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_dielectric.py +0 -0
  81. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_elasticity.py +0 -0
  82. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_electronic_structure.py +0 -0
  83. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_magnetism.py +0 -0
  84. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_materials.py +0 -0
  85. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_ml.py +0 -0
  86. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_mobility.py +0 -0
  87. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_oxidation.py +0 -0
  88. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_piezoelectric.py +0 -0
  89. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_qchem.py +0 -0
  90. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_similarity.py +0 -0
  91. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_summary.py +0 -0
  92. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_utils.py +0 -0
  93. {emmet-builders-0.82.1 → emmet-builders-0.83.0}/tests/test_vasp.py +0 -0
{emmet-builders-0.82.1 → emmet-builders-0.83.0}/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: 0.82.1
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+ Version: 0.83.0
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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-0.82.1 → emmet-builders-0.83.0}/emmet_builders.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.82.1
3
+ Version: 0.83.0
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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-0.82.1 → emmet-builders-0.83.0}/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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  #
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- aiohttp==3.9.3
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+ aiohttp==3.9.5
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  # via fsspec
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  aioitertools==0.11.0
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  # via maggma
@@ -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==1.34.76
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+ boto3==1.34.85
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  # via maggma
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- botocore==1.34.76
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+ botocore==1.34.85
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  # via
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  # boto3
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  # s3transfer
@@ -65,19 +65,19 @@ dnspython==2.6.1
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  # via
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  # maggma
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  # pymongo
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- emmet-core[all,ml]==0.82.0
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+ emmet-core[all,ml]==0.82.1
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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==0.110.1
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  # via maggma
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- filelock==3.13.3
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+ filelock==3.13.4
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  # via
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  # torch
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  # triton
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- flask==3.0.2
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+ flask==3.0.3
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  # via mongogrant
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- fonttools==4.50.0
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+ fonttools==4.51.0
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  # via matplotlib
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  frozenlist==1.4.1
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  # via
@@ -91,16 +91,16 @@ future==1.0.0
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  # via uncertainties
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  h11==0.14.0
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  # via uvicorn
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- h5py==3.10.0
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+ h5py==3.11.0
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  # via phonopy
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- idna==3.6
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+ idna==3.7
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  # via
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  # anyio
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  # requests
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  # yarl
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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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+ itsdangerous==2.2.0
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  # via flask
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  jinja2==3.1.3
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  # via
@@ -110,7 +110,7 @@ jmespath==1.0.1
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  # via
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  # boto3
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  # botocore
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- joblib==1.3.2
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+ joblib==1.4.0
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  # via
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  # matcalc
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  # pymatgen
@@ -128,7 +128,7 @@ lightning-utilities==0.11.2
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  # via
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  # pytorch-lightning
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  # torchmetrics
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- maggma==0.64.0
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+ maggma==0.64.1
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  # via emmet-builders (setup.py)
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  markupsafe==2.1.5
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  # via
@@ -142,7 +142,7 @@ matminer==0.9.2
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  # via
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  # emmet-builders (setup.py)
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  # robocrys
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- matplotlib==3.8.3
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+ matplotlib==3.8.4
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  # via
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  # ase
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  # phonopy
@@ -168,7 +168,7 @@ multidict==6.0.5
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  # via
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  # aiohttp
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  # yarl
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- networkx==3.2.1
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+ networkx==3.3
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  # via
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  # dgl
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  # pymatgen
@@ -222,13 +222,13 @@ nvidia-ml-py3==7.352.0
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  # via chgnet
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  nvidia-nccl-cu12==2.19.3
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  # via torch
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- nvidia-nvjitlink-cu12==12.4.99
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+ nvidia-nvjitlink-cu12==12.4.127
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  # via
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  # nvidia-cusolver-cu12
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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==3.10.0
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+ orjson==3.10.1
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  # via maggma
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  packaging==24.0
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  # via
@@ -240,7 +240,7 @@ 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==2.2.1
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+ pandas==2.2.2
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  # via
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  # matminer
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  # pymatgen
@@ -263,13 +263,13 @@ pybtex==0.24.0
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  # robocrys
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  pycparser==2.22
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  # via cffi
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- pydantic==2.6.4
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+ pydantic==2.7.0
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  # via
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  # emmet-core
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  # fastapi
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  # maggma
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  # pydantic-settings
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- pydantic-core==2.16.3
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+ pydantic-core==2.18.1
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  # via pydantic
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  pydantic-settings==2.2.1
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  # via
@@ -277,7 +277,7 @@ pydantic-settings==2.2.1
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  # maggma
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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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+ pymatgen==2024.4.13
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  # via
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  # chgnet
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  # emmet-core
@@ -308,7 +308,7 @@ python-dateutil==2.9.0.post0
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  # pandas
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  python-dotenv==1.0.1
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  # via pydantic-settings
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- pytorch-lightning==2.2.1
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+ pytorch-lightning==2.2.2
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  # via matgl
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  pytz==2024.1
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  # via pandas
@@ -317,7 +317,7 @@ pyyaml==6.0.1
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  # phonopy
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  # pybtex
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  # pytorch-lightning
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- pyzmq==25.1.2
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+ pyzmq==26.0.0
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  # via maggma
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  referencing==0.34.0
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  # via
@@ -336,7 +336,7 @@ rpds-py==0.18.0
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  # via
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  # jsonschema
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  # referencing
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- ruamel-yaml==0.17.40
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+ ruamel-yaml==0.18.6
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  # via
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  # maggma
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  # pymatgen
@@ -345,9 +345,9 @@ ruamel-yaml-clib==0.2.8
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  # via ruamel-yaml
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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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+ scikit-learn==1.4.2
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  # via matminer
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- scipy==1.12.0
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+ scipy==1.13.0
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  # via
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  # ase
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  # dgl
@@ -366,7 +366,7 @@ six==1.16.0
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  # python-dateutil
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  sniffio==1.3.1
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  # via anyio
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- spglib==2.3.1
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+ spglib==2.4.0
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  # via
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  # phonopy
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  # pymatgen
@@ -409,7 +409,7 @@ triton==2.2.0
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  # via torch
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  typeguard==4.2.1
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  # via inflect
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- typing-extensions==4.10.0
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+ typing-extensions==4.11.0
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  # via
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  # anyio
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  # emmet-core
{emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -4,7 +4,7 @@
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  #
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  # pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.10_extras.txt
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  #
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- aiohttp==3.9.3
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+ aiohttp==3.9.5
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  # via fsspec
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  aioitertools==0.11.0
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  # via maggma
@@ -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==1.34.76
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+ boto3==1.34.85
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  # via maggma
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- botocore==1.34.76
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+ botocore==1.34.85
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  # via
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  # boto3
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  # s3transfer
@@ -79,7 +79,7 @@ dnspython==2.6.1
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  # via
80
80
  # maggma
81
81
  # pymongo
82
- emmet-core[all,ml]==0.82.0
82
+ emmet-core[all,ml]==0.82.1
83
83
  # via emmet-builders (setup.py)
84
84
  exceptiongroup==1.2.0
85
85
  # via
@@ -87,16 +87,16 @@ exceptiongroup==1.2.0
87
87
  # pytest
88
88
  fastapi==0.110.1
89
89
  # via maggma
90
- filelock==3.13.3
90
+ filelock==3.13.4
91
91
  # via
92
92
  # torch
93
93
  # triton
94
94
  # virtualenv
95
95
  flake8==7.0.0
96
96
  # via emmet-builders (setup.py)
97
- flask==3.0.2
97
+ flask==3.0.3
98
98
  # via mongogrant
99
- fonttools==4.50.0
99
+ fonttools==4.51.0
100
100
  # via matplotlib
101
101
  frozenlist==1.4.1
102
102
  # via
@@ -110,17 +110,17 @@ future==1.0.0
110
110
  # via uncertainties
111
111
  ghp-import==2.1.0
112
112
  # via mkdocs
113
- griffe==0.42.1
113
+ griffe==0.42.2
114
114
  # via mkdocstrings-python
115
115
  h11==0.14.0
116
116
  # via uvicorn
117
- h5py==3.10.0
117
+ h5py==3.11.0
118
118
  # via phonopy
119
119
  htmlmin2==0.1.13
120
120
  # via mkdocs-minify-plugin
121
121
  identify==2.5.35
122
122
  # via pre-commit
123
- idna==3.6
123
+ idna==3.7
124
124
  # via
125
125
  # anyio
126
126
  # requests
@@ -129,7 +129,7 @@ inflect==7.2.0
129
129
  # via robocrys
130
130
  iniconfig==2.0.0
131
131
  # via pytest
132
- itsdangerous==2.1.2
132
+ itsdangerous==2.2.0
133
133
  # via flask
134
134
  jinja2==3.1.3
135
135
  # via
@@ -143,7 +143,7 @@ jmespath==1.0.1
143
143
  # via
144
144
  # boto3
145
145
  # botocore
146
- joblib==1.3.2
146
+ joblib==1.4.0
147
147
  # via
148
148
  # matcalc
149
149
  # pymatgen
@@ -165,7 +165,7 @@ lightning-utilities==0.11.2
165
165
  # torchmetrics
166
166
  livereload==2.6.3
167
167
  # via emmet-builders (setup.py)
168
- maggma==0.64.0
168
+ maggma==0.64.1
169
169
  # via emmet-builders (setup.py)
170
170
  markdown==3.6
171
171
  # via
@@ -189,7 +189,7 @@ matminer==0.9.2
189
189
  # via
190
190
  # emmet-builders (setup.py)
191
191
  # robocrys
192
- matplotlib==3.8.3
192
+ matplotlib==3.8.4
193
193
  # via
194
194
  # ase
195
195
  # phonopy
@@ -221,7 +221,7 @@ mkdocs-material-extensions==1.3.1
221
221
  # mkdocs-material
222
222
  mkdocs-minify-plugin==0.8.0
223
223
  # via emmet-builders (setup.py)
224
- mkdocstrings[python]==0.24.2
224
+ mkdocstrings[python]==0.24.3
225
225
  # via
226
226
  # emmet-builders (setup.py)
227
227
  # mkdocstrings-python
@@ -256,7 +256,7 @@ mypy-extensions==1.0.0
256
256
  # mypy
257
257
  natsort==8.4.0
258
258
  # via mkdocs-awesome-pages-plugin
259
- networkx==3.2.1
259
+ networkx==3.3
260
260
  # via
261
261
  # dgl
262
262
  # pymatgen
@@ -312,13 +312,13 @@ nvidia-ml-py3==7.352.0
312
312
  # via chgnet
313
313
  nvidia-nccl-cu12==2.19.3
314
314
  # via torch
315
- nvidia-nvjitlink-cu12==12.4.99
315
+ nvidia-nvjitlink-cu12==12.4.127
316
316
  # via
317
317
  # nvidia-cusolver-cu12
318
318
  # nvidia-cusparse-cu12
319
319
  nvidia-nvtx-cu12==12.1.105
320
320
  # via torch
321
- orjson==3.10.0
321
+ orjson==3.10.1
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==2.2.1
335
+ pandas==2.2.2
336
336
  # via
337
337
  # matminer
338
338
  # pymatgen
@@ -370,13 +370,13 @@ pycodestyle==2.11.1
370
370
  # flake8
371
371
  pycparser==2.22
372
372
  # via cffi
373
- pydantic==2.6.4
373
+ pydantic==2.7.0
374
374
  # via
375
375
  # emmet-core
376
376
  # fastapi
377
377
  # maggma
378
378
  # pydantic-settings
379
- pydantic-core==2.16.3
379
+ pydantic-core==2.18.1
380
380
  # via pydantic
381
381
  pydantic-settings==2.2.1
382
382
  # via
@@ -390,7 +390,7 @@ pyflakes==3.2.0
390
390
  # via flake8
391
391
  pygments==2.17.2
392
392
  # via mkdocs-material
393
- pymatgen==2024.3.1
393
+ pymatgen==2024.4.13
394
394
  # via
395
395
  # chgnet
396
396
  # emmet-core
@@ -432,7 +432,7 @@ python-dateutil==2.9.0.post0
432
432
  # pandas
433
433
  python-dotenv==1.0.1
434
434
  # via pydantic-settings
435
- pytorch-lightning==2.2.1
435
+ pytorch-lightning==2.2.2
436
436
  # via matgl
437
437
  pytz==2024.1
438
438
  # via pandas
@@ -448,7 +448,7 @@ pyyaml==6.0.1
448
448
  # pyyaml-env-tag
449
449
  pyyaml-env-tag==0.1
450
450
  # via mkdocs
451
- pyzmq==25.1.2
451
+ pyzmq==26.0.0
452
452
  # via maggma
453
453
  referencing==0.34.0
454
454
  # via
@@ -467,7 +467,7 @@ rpds-py==0.18.0
467
467
  # via
468
468
  # jsonschema
469
469
  # referencing
470
- ruamel-yaml==0.17.40
470
+ ruamel-yaml==0.18.6
471
471
  # via
472
472
  # maggma
473
473
  # pymatgen
@@ -476,9 +476,9 @@ ruamel-yaml-clib==0.2.8
476
476
  # via ruamel-yaml
477
477
  s3transfer==0.10.1
478
478
  # via boto3
479
- scikit-learn==1.4.1.post1
479
+ scikit-learn==1.4.2
480
480
  # via matminer
481
- scipy==1.12.0
481
+ scipy==1.13.0
482
482
  # via
483
483
  # ase
484
484
  # dgl
@@ -500,7 +500,7 @@ sniffio==1.3.1
500
500
  # via anyio
501
501
  snowballstemmer==2.2.0
502
502
  # via pydocstyle
503
- spglib==2.3.1
503
+ spglib==2.4.0
504
504
  # via
505
505
  # phonopy
506
506
  # pymatgen
@@ -550,11 +550,11 @@ triton==2.2.0
550
550
  # via torch
551
551
  typeguard==4.2.1
552
552
  # via inflect
553
- types-requests==2.31.0.20240402
553
+ types-requests==2.31.0.20240406
554
554
  # via emmet-builders (setup.py)
555
- types-setuptools==69.2.0.20240317
555
+ types-setuptools==69.5.0.20240415
556
556
  # via emmet-builders (setup.py)
557
- typing-extensions==4.10.0
557
+ typing-extensions==4.11.0
558
558
  # via
559
559
  # anyio
560
560
  # emmet-core
{emmet-builders-0.82.1 → emmet-builders-0.83.0}/requirements/ubuntu-latest_py3.11.txt RENAMED
@@ -4,7 +4,7 @@
4
4
  #
5
5
  # pip-compile --output-file=requirements/ubuntu-latest_py3.11.txt
6
6
  #
7
- aiohttp==3.9.3
7
+ aiohttp==3.9.5
8
8
  # via fsspec
9
9
  aioitertools==0.11.0
10
10
  # via maggma
@@ -28,9 +28,9 @@ bcrypt==4.1.2
28
28
  # via paramiko
29
29
  blinker==1.7.0
30
30
  # via flask
31
- boto3==1.34.76
31
+ boto3==1.34.85
32
32
  # via maggma
33
- botocore==1.34.76
33
+ botocore==1.34.85
34
34
  # via
35
35
  # boto3
36
36
  # s3transfer
@@ -63,17 +63,17 @@ dnspython==2.6.1
63
63
  # via
64
64
  # maggma
65
65
  # pymongo
66
- emmet-core[all,ml]==0.82.0
66
+ emmet-core[all,ml]==0.82.1
67
67
  # via emmet-builders (setup.py)
68
68
  fastapi==0.110.1
69
69
  # via maggma
70
- filelock==3.13.3
70
+ filelock==3.13.4
71
71
  # via
72
72
  # torch
73
73
  # triton
74
- flask==3.0.2
74
+ flask==3.0.3
75
75
  # via mongogrant
76
- fonttools==4.50.0
76
+ fonttools==4.51.0
77
77
  # via matplotlib
78
78
  frozenlist==1.4.1
79
79
  # via
@@ -87,16 +87,16 @@ future==1.0.0
87
87
  # via uncertainties
88
88
  h11==0.14.0
89
89
  # via uvicorn
90
- h5py==3.10.0
90
+ h5py==3.11.0
91
91
  # via phonopy
92
- idna==3.6
92
+ idna==3.7
93
93
  # via
94
94
  # anyio
95
95
  # requests
96
96
  # yarl
97
97
  inflect==7.2.0
98
98
  # via robocrys
99
- itsdangerous==2.1.2
99
+ itsdangerous==2.2.0
100
100
  # via flask
101
101
  jinja2==3.1.3
102
102
  # via
@@ -106,7 +106,7 @@ jmespath==1.0.1
106
106
  # via
107
107
  # boto3
108
108
  # botocore
109
- joblib==1.3.2
109
+ joblib==1.4.0
110
110
  # via
111
111
  # matcalc
112
112
  # pymatgen
@@ -124,7 +124,7 @@ lightning-utilities==0.11.2
124
124
  # via
125
125
  # pytorch-lightning
126
126
  # torchmetrics
127
- maggma==0.64.0
127
+ maggma==0.64.1
128
128
  # via emmet-builders (setup.py)
129
129
  markupsafe==2.1.5
130
130
  # via
@@ -138,7 +138,7 @@ matminer==0.9.2
138
138
  # via
139
139
  # emmet-builders (setup.py)
140
140
  # robocrys
141
- matplotlib==3.8.3
141
+ matplotlib==3.8.4
142
142
  # via
143
143
  # ase
144
144
  # phonopy
@@ -164,7 +164,7 @@ multidict==6.0.5
164
164
  # via
165
165
  # aiohttp
166
166
  # yarl
167
- networkx==3.2.1
167
+ networkx==3.3
168
168
  # via
169
169
  # dgl
170
170
  # pymatgen
@@ -218,13 +218,13 @@ nvidia-ml-py3==7.352.0
218
218
  # via chgnet
219
219
  nvidia-nccl-cu12==2.19.3
220
220
  # via torch
221
- nvidia-nvjitlink-cu12==12.4.99
221
+ nvidia-nvjitlink-cu12==12.4.127
222
222
  # via
223
223
  # nvidia-cusolver-cu12
224
224
  # nvidia-cusparse-cu12
225
225
  nvidia-nvtx-cu12==12.1.105
226
226
  # via torch
227
- orjson==3.10.0
227
+ orjson==3.10.1
228
228
  # via maggma
229
229
  packaging==24.0
230
230
  # via
@@ -236,7 +236,7 @@ packaging==24.0
236
236
  # torchmetrics
237
237
  palettable==3.3.3
238
238
  # via pymatgen
239
- pandas==2.2.1
239
+ pandas==2.2.2
240
240
  # via
241
241
  # matminer
242
242
  # pymatgen
@@ -259,13 +259,13 @@ pybtex==0.24.0
259
259
  # robocrys
260
260
  pycparser==2.22
261
261
  # via cffi
262
- pydantic==2.6.4
262
+ pydantic==2.7.0
263
263
  # via
264
264
  # emmet-core
265
265
  # fastapi
266
266
  # maggma
267
267
  # pydantic-settings
268
- pydantic-core==2.16.3
268
+ pydantic-core==2.18.1
269
269
  # via pydantic
270
270
  pydantic-settings==2.2.1
271
271
  # via
@@ -273,7 +273,7 @@ pydantic-settings==2.2.1
273
273
  # maggma
274
274
  pydash==8.0.0
275
275
  # via maggma
276
- pymatgen==2024.3.1
276
+ pymatgen==2024.4.13
277
277
  # via
278
278
  # chgnet
279
279
  # emmet-core
@@ -304,7 +304,7 @@ python-dateutil==2.9.0.post0
304
304
  # pandas
305
305
  python-dotenv==1.0.1
306
306
  # via pydantic-settings
307
- pytorch-lightning==2.2.1
307
+ pytorch-lightning==2.2.2
308
308
  # via matgl
309
309
  pytz==2024.1
310
310
  # via pandas
@@ -313,7 +313,7 @@ pyyaml==6.0.1
313
313
  # phonopy
314
314
  # pybtex
315
315
  # pytorch-lightning
316
- pyzmq==25.1.2
316
+ pyzmq==26.0.0
317
317
  # via maggma
318
318
  referencing==0.34.0
319
319
  # via
@@ -332,7 +332,7 @@ rpds-py==0.18.0
332
332
  # via
333
333
  # jsonschema
334
334
  # referencing
335
- ruamel-yaml==0.17.40
335
+ ruamel-yaml==0.18.6
336
336
  # via
337
337
  # maggma
338
338
  # pymatgen
@@ -341,9 +341,9 @@ ruamel-yaml-clib==0.2.8
341
341
  # via ruamel-yaml
342
342
  s3transfer==0.10.1
343
343
  # via boto3
344
- scikit-learn==1.4.1.post1
344
+ scikit-learn==1.4.2
345
345
  # via matminer
346
- scipy==1.12.0
346
+ scipy==1.13.0
347
347
  # via
348
348
  # ase
349
349
  # dgl
@@ -362,7 +362,7 @@ six==1.16.0
362
362
  # python-dateutil
363
363
  sniffio==1.3.1
364
364
  # via anyio
365
- spglib==2.3.1
365
+ spglib==2.4.0
366
366
  # via
367
367
  # phonopy
368
368
  # pymatgen
@@ -405,7 +405,7 @@ triton==2.2.0
405
405
  # via torch
406
406
  typeguard==4.2.1
407
407
  # via inflect
408
- typing-extensions==4.10.0
408
+ typing-extensions==4.11.0
409
409
  # via
410
410
  # emmet-core
411
411
  # fastapi