emmet-builders 0.83.0__tar.gz → 0.83.2__tar.gz

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Files changed (93) hide show
  1. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/PKG-INFO +1 -1
  2. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/utils.py +1 -1
  3. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet_builders.egg-info/PKG-INFO +1 -1
  4. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.10.txt +44 -28
  5. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.10_extras.txt +64 -43
  6. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.11.txt +43 -27
  7. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.11_extras.txt +63 -42
  8. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.9.txt +44 -28
  9. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.9_extras.txt +65 -43
  10. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/__init__.py +0 -0
  11. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/abinit/__init__.py +0 -0
  12. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/abinit/phonon.py +0 -0
  13. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/abinit/sound_velocity.py +0 -0
  14. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/feff/__init__.py +0 -0
  15. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/feff/xas.py +0 -0
  16. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/__init__.py +0 -0
  17. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/absorption_spectrum.py +0 -0
  18. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/alloys.py +0 -0
  19. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/basic_descriptors.py +0 -0
  20. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/bonds.py +0 -0
  21. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/chemenv.py +0 -0
  22. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/corrected_entries.py +0 -0
  23. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/dielectric.py +0 -0
  24. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/elasticity.py +0 -0
  25. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/electrodes.py +0 -0
  26. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/electronic_structure.py +0 -0
  27. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/magnetism.py +0 -0
  28. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/ml.py +0 -0
  29. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/optimade.py +0 -0
  30. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/oxidation_states.py +0 -0
  31. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/piezoelectric.py +0 -0
  32. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/provenance.py +0 -0
  33. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/robocrys.py +0 -0
  34. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/similarity.py +0 -0
  35. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/substrates.py +0 -0
  36. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/summary.py +0 -0
  37. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/materials/thermo.py +0 -0
  38. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/matscholar/missing_compositions.py +0 -0
  39. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/mobility/__init__.py +0 -0
  40. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/mobility/migration_graph.py +0 -0
  41. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/__init__.py +0 -0
  42. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/atomic.py +0 -0
  43. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/bonds.py +0 -0
  44. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/metal_binding.py +0 -0
  45. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/orbitals.py +0 -0
  46. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/redox.py +0 -0
  47. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/summary.py +0 -0
  48. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/thermo.py +0 -0
  49. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/molecules/vibration.py +0 -0
  50. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/qchem/__init__.py +0 -0
  51. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/qchem/molecules.py +0 -0
  52. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/settings.py +0 -0
  53. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/vasp/__init__.py +0 -0
  54. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/vasp/materials.py +0 -0
  55. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  56. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet/builders/vasp/task_validator.py +0 -0
  57. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet_builders.egg-info/SOURCES.txt +0 -0
  58. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet_builders.egg-info/dependency_links.txt +0 -0
  59. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet_builders.egg-info/not-zip-safe +0 -0
  60. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet_builders.egg-info/requires.txt +0 -0
  61. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/emmet_builders.egg-info/top_level.txt +0 -0
  62. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/deployment.txt +0 -0
  63. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/setup.cfg +0 -0
  64. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/setup.py +0 -0
  65. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/__init__.py +0 -0
  66. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/conftest.py +0 -0
  67. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/__init__.py +0 -0
  68. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_atomic.py +0 -0
  69. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_bonds.py +0 -0
  70. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_metal_binding.py +0 -0
  71. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_orbitals.py +0 -0
  72. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_redox.py +0 -0
  73. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_summary.py +0 -0
  74. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_thermo.py +0 -0
  75. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/molecules/test_vibration.py +0 -0
  76. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_absorption.py +0 -0
  77. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_basic_descriptors.py +0 -0
  78. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_chemenv.py +0 -0
  79. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_corrected_entries_thermo.py +0 -0
  80. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_dielectric.py +0 -0
  81. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_elasticity.py +0 -0
  82. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_electronic_structure.py +0 -0
  83. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_magnetism.py +0 -0
  84. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_materials.py +0 -0
  85. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_ml.py +0 -0
  86. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_mobility.py +0 -0
  87. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_oxidation.py +0 -0
  88. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_piezoelectric.py +0 -0
  89. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_qchem.py +0 -0
  90. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_similarity.py +0 -0
  91. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_summary.py +0 -0
  92. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_utils.py +0 -0
  93. {emmet-builders-0.83.0 → emmet-builders-0.83.2}/tests/test_vasp.py +0 -0
{emmet-builders-0.83.0 → emmet-builders-0.83.2}/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: 0.83.0
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+ Version: 0.83.2
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-0.83.0 → emmet-builders-0.83.2}/emmet/builders/utils.py RENAMED
@@ -255,7 +255,7 @@ def get_potcar_stats(
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  path_to_stored_stats = str(
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  files("emmet.builders.vasp") / "mp_potcar_stats.json.gz"
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  )
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- return loadfn(path_to_stored_stats)
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+ return loadfn(path_to_stored_stats) # type: ignore
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  for (
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  calc_type,
{emmet-builders-0.83.0 → emmet-builders-0.83.2}/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
3
- Version: 0.83.0
3
+ Version: 0.83.2
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-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -28,11 +28,11 @@ attrs==23.2.0
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  # referencing
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  bcrypt==4.1.2
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  # via paramiko
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- blinker==1.7.0
31
+ blinker==1.8.1
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  # via flask
33
- boto3==1.34.85
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+ boto3==1.34.95
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  # via maggma
35
- botocore==1.34.85
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+ botocore==1.34.95
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  # via
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  # boto3
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  # s3transfer
@@ -65,13 +65,15 @@ dnspython==2.6.1
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  # via
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  # maggma
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  # pymongo
68
- emmet-core[all,ml]==0.82.1
69
- # via emmet-builders (setup.py)
70
- exceptiongroup==1.2.0
68
+ emmet-core[all,ml]==0.83.0
69
+ # via
70
+ # emmet-builders (setup.py)
71
+ # mp-api
72
+ exceptiongroup==1.2.1
71
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  # via anyio
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- fastapi==0.110.1
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+ fastapi==0.110.3
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  # via maggma
74
- filelock==3.13.4
76
+ filelock==3.14.0
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  # via
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  # torch
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  # triton
@@ -98,7 +100,7 @@ idna==3.7
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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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+ inflect==7.2.1
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  # via robocrys
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  itsdangerous==2.2.0
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  # via flask
@@ -116,7 +118,7 @@ joblib==1.4.0
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  # pymatgen
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  # pymatgen-analysis-diffusion
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  # scikit-learn
119
- jsonschema==4.21.1
121
+ jsonschema==4.22.0
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  # via maggma
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  jsonschema-specifications==2023.12.1
122
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  # via jsonschema
@@ -128,8 +130,10 @@ 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==0.64.1
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- # via emmet-builders (setup.py)
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+ maggma==0.66.0
134
+ # via
135
+ # emmet-builders (setup.py)
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+ # mp-api
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  markupsafe==2.1.5
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  # via
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  # jinja2
@@ -151,19 +155,24 @@ mongogrant==0.3.3
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  # via maggma
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  mongomock==4.1.2
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  # via maggma
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- monty==2024.3.31
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+ monty==2024.4.17
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  # via
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  # emmet-core
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  # maggma
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  # matminer
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+ # mp-api
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  # pymatgen
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  # robocrys
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  more-itertools==10.2.0
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  # via inflect
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+ mp-api==0.41.2
169
+ # via robocrys
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  mpmath==1.3.0
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  # via sympy
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  msgpack==1.0.8
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- # via maggma
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+ # via
174
+ # maggma
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+ # mp-api
167
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  multidict==6.0.5
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  # via
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  # aiohttp
@@ -220,7 +229,7 @@ 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==2.19.3
232
+ nvidia-nccl-cu12==2.20.5
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  # via torch
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  nvidia-nvjitlink-cu12==12.4.127
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  # via
@@ -250,7 +259,7 @@ phonopy==2.22.1
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  # via matcalc
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  pillow==10.3.0
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  # via matplotlib
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- plotly==5.20.0
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+ plotly==5.21.0
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  # via pymatgen
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  psutil==5.9.8
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  # via dgl
@@ -263,19 +272,19 @@ 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==2.7.0
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+ pydantic==2.7.1
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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==2.18.1
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+ pydantic-core==2.18.2
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  # via pydantic
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  pydantic-settings==2.2.1
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  # via
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  # emmet-core
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  # maggma
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- pydash==8.0.0
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+ pydash==8.0.1
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  # via maggma
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  pymatgen==2024.4.13
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  # via
@@ -284,6 +293,7 @@ pymatgen==2024.4.13
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  # matcalc
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  # matgl
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  # matminer
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+ # mp-api
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  # pymatgen-analysis-alloys
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  # pymatgen-analysis-diffusion
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  # robocrys
@@ -291,7 +301,7 @@ pymatgen-analysis-alloys==0.0.6
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  # via emmet-core
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  pymatgen-analysis-diffusion==2023.8.15
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  # via emmet-core
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- pymongo==4.6.3
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+ pymongo==4.7.1
295
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  # via
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  # maggma
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  # matminer
@@ -308,7 +318,7 @@ 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==2.2.2
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+ pytorch-lightning==2.2.3
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  # via matgl
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  pytz==2024.1
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  # via pandas
@@ -317,9 +327,9 @@ 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==26.0.0
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+ pyzmq==26.0.2
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  # via maggma
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- referencing==0.34.0
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+ referencing==0.35.0
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  # via
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  # jsonschema
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  # jsonschema-specifications
@@ -328,9 +338,10 @@ requests==2.31.0
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  # dgl
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  # matminer
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  # mongogrant
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+ # mp-api
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  # pymatgen
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  # torchdata
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- robocrys==0.2.8
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+ robocrys==0.2.9
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  # via emmet-core
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  rpds-py==0.18.0
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  # via
@@ -358,12 +369,14 @@ seekpath==2.1.0
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  # via emmet-core
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  sentinels==1.0.0
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  # via mongomock
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- shapely==2.0.3
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+ shapely==2.0.4
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  # via pymatgen-analysis-alloys
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  six==1.16.0
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  # via
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  # pybtex
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  # python-dateutil
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+ smart-open==7.0.4
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+ # via mp-api
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  sniffio==1.3.1
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  # via anyio
369
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  spglib==2.4.0
@@ -385,9 +398,9 @@ tabulate==0.9.0
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  # via pymatgen
386
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  tenacity==8.2.3
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  # via plotly
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- threadpoolctl==3.4.0
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+ threadpoolctl==3.5.0
389
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  # via scikit-learn
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- torch==2.2.2
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+ torch==2.3.0
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  # via
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  # chgnet
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  # matgl
@@ -405,7 +418,7 @@ tqdm==4.66.2
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  # matminer
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  # pymatgen
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  # pytorch-lightning
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- triton==2.2.0
421
+ triton==2.3.0
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  # via torch
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  typeguard==4.2.1
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424
  # via inflect
@@ -416,6 +429,7 @@ typing-extensions==4.11.0
416
429
  # fastapi
417
430
  # inflect
418
431
  # lightning-utilities
432
+ # mp-api
419
433
  # pydantic
420
434
  # pydantic-core
421
435
  # pydash
@@ -436,6 +450,8 @@ uvicorn==0.29.0
436
450
  # via maggma
437
451
  werkzeug==3.0.2
438
452
  # via flask
453
+ wrapt==1.16.0
454
+ # via smart-open
439
455
  yarl==1.9.4
440
456
  # via aiohttp
441
457
 
{emmet-builders-0.83.0 → emmet-builders-0.83.2}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -28,11 +28,11 @@ attrs==23.2.0
28
28
  # referencing
29
29
  bcrypt==4.1.2
30
30
  # via paramiko
31
- blinker==1.7.0
31
+ blinker==1.8.1
32
32
  # via flask
33
- boto3==1.34.85
33
+ boto3==1.34.95
34
34
  # via maggma
35
- botocore==1.34.85
35
+ botocore==1.34.95
36
36
  # via
37
37
  # boto3
38
38
  # s3transfer
@@ -61,7 +61,7 @@ colorama==0.4.6
61
61
  # via griffe
62
62
  contourpy==1.2.1
63
63
  # via matplotlib
64
- coverage[toml]==7.4.4
64
+ coverage[toml]==7.5.0
65
65
  # via pytest-cov
66
66
  cryptography==42.0.5
67
67
  # via paramiko
@@ -79,15 +79,17 @@ dnspython==2.6.1
79
79
  # via
80
80
  # maggma
81
81
  # pymongo
82
- emmet-core[all,ml]==0.82.1
83
- # via emmet-builders (setup.py)
84
- exceptiongroup==1.2.0
82
+ emmet-core[all,ml]==0.83.0
83
+ # via
84
+ # emmet-builders (setup.py)
85
+ # mp-api
86
+ exceptiongroup==1.2.1
85
87
  # via
86
88
  # anyio
87
89
  # pytest
88
- fastapi==0.110.1
90
+ fastapi==0.110.3
89
91
  # via maggma
90
- filelock==3.13.4
92
+ filelock==3.14.0
91
93
  # via
92
94
  # torch
93
95
  # triton
@@ -110,7 +112,7 @@ future==1.0.0
110
112
  # via uncertainties
111
113
  ghp-import==2.1.0
112
114
  # via mkdocs
113
- griffe==0.42.2
115
+ griffe==0.44.0
114
116
  # via mkdocstrings-python
115
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  h11==0.14.0
116
118
  # via uvicorn
@@ -118,14 +120,14 @@ h5py==3.11.0
118
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  # via phonopy
119
121
  htmlmin2==0.1.13
120
122
  # via mkdocs-minify-plugin
121
- identify==2.5.35
123
+ identify==2.5.36
122
124
  # via pre-commit
123
125
  idna==3.7
124
126
  # via
125
127
  # anyio
126
128
  # requests
127
129
  # yarl
128
- inflect==7.2.0
130
+ inflect==7.2.1
129
131
  # via robocrys
130
132
  iniconfig==2.0.0
131
133
  # via pytest
@@ -151,7 +153,7 @@ joblib==1.4.0
151
153
  # scikit-learn
152
154
  jsmin==3.0.1
153
155
  # via mkdocs-minify-plugin
154
- jsonschema==4.21.1
156
+ jsonschema==4.22.0
155
157
  # via maggma
156
158
  jsonschema-specifications==2023.12.1
157
159
  # via jsonschema
@@ -165,8 +167,10 @@ lightning-utilities==0.11.2
165
167
  # torchmetrics
166
168
  livereload==2.6.3
167
169
  # via emmet-builders (setup.py)
168
- maggma==0.64.1
169
- # via emmet-builders (setup.py)
170
+ maggma==0.66.0
171
+ # via
172
+ # emmet-builders (setup.py)
173
+ # mp-api
170
174
  markdown==3.6
171
175
  # via
172
176
  # mkdocs
@@ -197,8 +201,10 @@ matplotlib==3.8.4
197
201
  mccabe==0.7.0
198
202
  # via flake8
199
203
  mergedeep==1.3.4
200
- # via mkdocs
201
- mkdocs==1.5.3
204
+ # via
205
+ # mkdocs
206
+ # mkdocs-get-deps
207
+ mkdocs==1.6.0
202
208
  # via
203
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  # emmet-builders (setup.py)
204
210
  # mkdocs-autorefs
@@ -211,6 +217,8 @@ mkdocs-autorefs==1.0.1
211
217
  # via mkdocstrings
212
218
  mkdocs-awesome-pages-plugin==2.9.2
213
219
  # via emmet-builders (setup.py)
220
+ mkdocs-get-deps==0.2.0
221
+ # via mkdocs
214
222
  mkdocs-markdownextradata-plugin==0.2.5
215
223
  # via emmet-builders (setup.py)
216
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  mkdocs-material==8.2.16
@@ -221,34 +229,39 @@ mkdocs-material-extensions==1.3.1
221
229
  # mkdocs-material
222
230
  mkdocs-minify-plugin==0.8.0
223
231
  # via emmet-builders (setup.py)
224
- mkdocstrings[python]==0.24.3
232
+ mkdocstrings[python]==0.25.0
225
233
  # via
226
234
  # emmet-builders (setup.py)
227
235
  # mkdocstrings-python
228
- mkdocstrings-python==1.9.2
236
+ mkdocstrings-python==1.10.0
229
237
  # via mkdocstrings
230
238
  mongogrant==0.3.3
231
239
  # via maggma
232
240
  mongomock==4.1.2
233
241
  # via maggma
234
- monty==2024.3.31
242
+ monty==2024.4.17
235
243
  # via
236
244
  # emmet-core
237
245
  # maggma
238
246
  # matminer
247
+ # mp-api
239
248
  # pymatgen
240
249
  # robocrys
241
250
  more-itertools==10.2.0
242
251
  # via inflect
252
+ mp-api==0.41.2
253
+ # via robocrys
243
254
  mpmath==1.3.0
244
255
  # via sympy
245
256
  msgpack==1.0.8
246
- # via maggma
257
+ # via
258
+ # maggma
259
+ # mp-api
247
260
  multidict==6.0.5
248
261
  # via
249
262
  # aiohttp
250
263
  # yarl
251
- mypy==1.9.0
264
+ mypy==1.10.0
252
265
  # via emmet-builders (setup.py)
253
266
  mypy-extensions==1.0.0
254
267
  # via
@@ -310,7 +323,7 @@ nvidia-cusparse-cu12==12.1.0.106
310
323
  # torch
311
324
  nvidia-ml-py3==7.352.0
312
325
  # via chgnet
313
- nvidia-nccl-cu12==2.19.3
326
+ nvidia-nccl-cu12==2.20.5
314
327
  # via torch
315
328
  nvidia-nvjitlink-cu12==12.4.127
316
329
  # via
@@ -344,14 +357,14 @@ phonopy==2.22.1
344
357
  # via matcalc
345
358
  pillow==10.3.0
346
359
  # via matplotlib
347
- platformdirs==4.2.0
360
+ platformdirs==4.2.1
348
361
  # via
349
- # mkdocs
362
+ # mkdocs-get-deps
350
363
  # mkdocstrings
351
364
  # virtualenv
352
- plotly==5.20.0
365
+ plotly==5.21.0
353
366
  # via pymatgen
354
- pluggy==1.4.0
367
+ pluggy==1.5.0
355
368
  # via pytest
356
369
  pre-commit==3.7.0
357
370
  # via emmet-builders (setup.py)
@@ -370,19 +383,19 @@ pycodestyle==2.11.1
370
383
  # flake8
371
384
  pycparser==2.22
372
385
  # via cffi
373
- pydantic==2.7.0
386
+ pydantic==2.7.1
374
387
  # via
375
388
  # emmet-core
376
389
  # fastapi
377
390
  # maggma
378
391
  # pydantic-settings
379
- pydantic-core==2.18.1
392
+ pydantic-core==2.18.2
380
393
  # via pydantic
381
394
  pydantic-settings==2.2.1
382
395
  # via
383
396
  # emmet-core
384
397
  # maggma
385
- pydash==8.0.0
398
+ pydash==8.0.1
386
399
  # via maggma
387
400
  pydocstyle==6.3.0
388
401
  # via emmet-builders (setup.py)
@@ -397,6 +410,7 @@ pymatgen==2024.4.13
397
410
  # matcalc
398
411
  # matgl
399
412
  # matminer
413
+ # mp-api
400
414
  # pymatgen-analysis-alloys
401
415
  # pymatgen-analysis-diffusion
402
416
  # robocrys
@@ -404,11 +418,11 @@ pymatgen-analysis-alloys==0.0.6
404
418
  # via emmet-core
405
419
  pymatgen-analysis-diffusion==2023.8.15
406
420
  # via emmet-core
407
- pymdown-extensions==10.7.1
421
+ pymdown-extensions==10.8.1
408
422
  # via
409
423
  # mkdocs-material
410
424
  # mkdocstrings
411
- pymongo==4.6.3
425
+ pymongo==4.7.1
412
426
  # via
413
427
  # maggma
414
428
  # matminer
@@ -417,7 +431,7 @@ pynacl==1.5.0
417
431
  # via paramiko
418
432
  pyparsing==3.1.2
419
433
  # via matplotlib
420
- pytest==8.1.1
434
+ pytest==8.2.0
421
435
  # via
422
436
  # emmet-builders (setup.py)
423
437
  # pytest-cov
@@ -432,13 +446,14 @@ python-dateutil==2.9.0.post0
432
446
  # pandas
433
447
  python-dotenv==1.0.1
434
448
  # via pydantic-settings
435
- pytorch-lightning==2.2.2
449
+ pytorch-lightning==2.2.3
436
450
  # via matgl
437
451
  pytz==2024.1
438
452
  # via pandas
439
453
  pyyaml==6.0.1
440
454
  # via
441
455
  # mkdocs
456
+ # mkdocs-get-deps
442
457
  # mkdocs-markdownextradata-plugin
443
458
  # phonopy
444
459
  # pre-commit
@@ -448,9 +463,9 @@ pyyaml==6.0.1
448
463
  # pyyaml-env-tag
449
464
  pyyaml-env-tag==0.1
450
465
  # via mkdocs
451
- pyzmq==26.0.0
466
+ pyzmq==26.0.2
452
467
  # via maggma
453
- referencing==0.34.0
468
+ referencing==0.35.0
454
469
  # via
455
470
  # jsonschema
456
471
  # jsonschema-specifications
@@ -459,9 +474,10 @@ requests==2.31.0
459
474
  # dgl
460
475
  # matminer
461
476
  # mongogrant
477
+ # mp-api
462
478
  # pymatgen
463
479
  # torchdata
464
- robocrys==0.2.8
480
+ robocrys==0.2.9
465
481
  # via emmet-core
466
482
  rpds-py==0.18.0
467
483
  # via
@@ -489,13 +505,15 @@ seekpath==2.1.0
489
505
  # via emmet-core
490
506
  sentinels==1.0.0
491
507
  # via mongomock
492
- shapely==2.0.3
508
+ shapely==2.0.4
493
509
  # via pymatgen-analysis-alloys
494
510
  six==1.16.0
495
511
  # via
496
512
  # livereload
497
513
  # pybtex
498
514
  # python-dateutil
515
+ smart-open==7.0.4
516
+ # via mp-api
499
517
  sniffio==1.3.1
500
518
  # via anyio
501
519
  snowballstemmer==2.2.0
@@ -519,14 +537,14 @@ tabulate==0.9.0
519
537
  # via pymatgen
520
538
  tenacity==8.2.3
521
539
  # via plotly
522
- threadpoolctl==3.4.0
540
+ threadpoolctl==3.5.0
523
541
  # via scikit-learn
524
542
  tomli==2.0.1
525
543
  # via
526
544
  # coverage
527
545
  # mypy
528
546
  # pytest
529
- torch==2.2.2
547
+ torch==2.3.0
530
548
  # via
531
549
  # chgnet
532
550
  # matgl
@@ -546,13 +564,13 @@ tqdm==4.66.2
546
564
  # matminer
547
565
  # pymatgen
548
566
  # pytorch-lightning
549
- triton==2.2.0
567
+ triton==2.3.0
550
568
  # via torch
551
569
  typeguard==4.2.1
552
570
  # via inflect
553
571
  types-requests==2.31.0.20240406
554
572
  # via emmet-builders (setup.py)
555
- types-setuptools==69.5.0.20240415
573
+ types-setuptools==69.5.0.20240423
556
574
  # via emmet-builders (setup.py)
557
575
  typing-extensions==4.11.0
558
576
  # via
@@ -561,6 +579,7 @@ typing-extensions==4.11.0
561
579
  # fastapi
562
580
  # inflect
563
581
  # lightning-utilities
582
+ # mp-api
564
583
  # mypy
565
584
  # pydantic
566
585
  # pydantic-core
@@ -581,7 +600,7 @@ urllib3==2.2.1
581
600
  # types-requests
582
601
  uvicorn==0.29.0
583
602
  # via maggma
584
- virtualenv==20.25.1
603
+ virtualenv==20.26.1
585
604
  # via pre-commit
586
605
  watchdog==4.0.0
587
606
  # via mkdocs
@@ -591,6 +610,8 @@ werkzeug==3.0.2
591
610
  # via flask
592
611
  wincertstore==0.2
593
612
  # via emmet-builders (setup.py)
613
+ wrapt==1.16.0
614
+ # via smart-open
594
615
  yarl==1.9.4
595
616
  # via aiohttp
596
617