emmet-builders 0.83.9__tar.gz → 0.84.1__tar.gz

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Files changed (94) hide show
  1. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/PKG-INFO +1 -1
  2. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet_builders.egg-info/PKG-INFO +1 -1
  3. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.10.txt +13 -10
  4. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.10_extras.txt +19 -16
  5. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.11.txt +13 -10
  6. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.11_extras.txt +19 -16
  7. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.9.txt +13 -10
  8. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.9_extras.txt +19 -16
  9. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/MANIFEST.in +0 -0
  10. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/__init__.py +0 -0
  11. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/abinit/__init__.py +0 -0
  12. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/abinit/phonon.py +0 -0
  13. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/abinit/sound_velocity.py +0 -0
  14. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/feff/__init__.py +0 -0
  15. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/feff/xas.py +0 -0
  16. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/__init__.py +0 -0
  17. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/absorption_spectrum.py +0 -0
  18. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/alloys.py +0 -0
  19. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/basic_descriptors.py +0 -0
  20. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/bonds.py +0 -0
  21. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/chemenv.py +0 -0
  22. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/corrected_entries.py +0 -0
  23. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/dielectric.py +0 -0
  24. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/elasticity.py +0 -0
  25. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/electrodes.py +0 -0
  26. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/electronic_structure.py +0 -0
  27. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/magnetism.py +0 -0
  28. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/ml.py +0 -0
  29. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/optimade.py +0 -0
  30. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/oxidation_states.py +0 -0
  31. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/piezoelectric.py +0 -0
  32. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/provenance.py +0 -0
  33. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/robocrys.py +0 -0
  34. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/similarity.py +0 -0
  35. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/substrates.py +0 -0
  36. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/summary.py +0 -0
  37. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/materials/thermo.py +0 -0
  38. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/matscholar/missing_compositions.py +0 -0
  39. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/mobility/__init__.py +0 -0
  40. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/mobility/migration_graph.py +0 -0
  41. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/__init__.py +0 -0
  42. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/atomic.py +0 -0
  43. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/bonds.py +0 -0
  44. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/metal_binding.py +0 -0
  45. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/orbitals.py +0 -0
  46. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/redox.py +0 -0
  47. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/summary.py +0 -0
  48. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/thermo.py +0 -0
  49. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/molecules/vibration.py +0 -0
  50. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/qchem/__init__.py +0 -0
  51. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/qchem/molecules.py +0 -0
  52. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/settings.py +0 -0
  53. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/utils.py +0 -0
  54. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/vasp/__init__.py +0 -0
  55. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/vasp/materials.py +0 -0
  56. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  57. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet/builders/vasp/task_validator.py +0 -0
  58. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet_builders.egg-info/SOURCES.txt +0 -0
  59. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet_builders.egg-info/dependency_links.txt +0 -0
  60. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet_builders.egg-info/not-zip-safe +0 -0
  61. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet_builders.egg-info/requires.txt +0 -0
  62. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/emmet_builders.egg-info/top_level.txt +0 -0
  63. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/deployment.txt +0 -0
  64. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/setup.cfg +0 -0
  65. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/setup.py +0 -0
  66. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/__init__.py +0 -0
  67. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/conftest.py +0 -0
  68. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/__init__.py +0 -0
  69. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_atomic.py +0 -0
  70. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_bonds.py +0 -0
  71. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_metal_binding.py +0 -0
  72. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_orbitals.py +0 -0
  73. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_redox.py +0 -0
  74. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_summary.py +0 -0
  75. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_thermo.py +0 -0
  76. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/molecules/test_vibration.py +0 -0
  77. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_absorption.py +0 -0
  78. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_basic_descriptors.py +0 -0
  79. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_chemenv.py +0 -0
  80. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_corrected_entries_thermo.py +0 -0
  81. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_dielectric.py +0 -0
  82. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_elasticity.py +0 -0
  83. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_electronic_structure.py +0 -0
  84. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_magnetism.py +0 -0
  85. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_materials.py +0 -0
  86. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_ml.py +0 -0
  87. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_mobility.py +0 -0
  88. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_oxidation.py +0 -0
  89. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_piezoelectric.py +0 -0
  90. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_qchem.py +0 -0
  91. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_similarity.py +0 -0
  92. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_summary.py +0 -0
  93. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_utils.py +0 -0
  94. {emmet-builders-0.83.9 → emmet-builders-0.84.1}/tests/test_vasp.py +0 -0
{emmet-builders-0.83.9 → emmet-builders-0.84.1}/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: 0.83.9
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+ Version: 0.84.1
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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-0.83.9 → emmet-builders-0.84.1}/emmet_builders.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
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  Metadata-Version: 2.1
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2
  Name: emmet-builders
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- Version: 0.83.9
3
+ Version: 0.84.1
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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-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -23,9 +23,9 @@ bcrypt==4.1.3
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  # via paramiko
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  blinker==1.8.2
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  # via flask
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- boto3==1.34.124
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+ boto3==1.34.127
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  # via maggma
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- botocore==1.34.124
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+ botocore==1.34.127
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  # via
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  # boto3
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  # s3transfer
@@ -57,9 +57,9 @@ dnspython==2.6.1
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  # email-validator
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  # maggma
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  # pymongo
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- email-validator==2.1.1
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+ email-validator==2.1.2
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  # via fastapi
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- emmet-core[all]==0.83.8
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+ emmet-core[all]==0.83.9
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
@@ -154,6 +154,7 @@ mda-xdrlib==0.2.0
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  mdanalysis==2.7.0
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  # via
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  # emmet-builders (setup.py)
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+ # emmet-core
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  # solvation-analysis
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  mdurl==0.1.2
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  # via markdown-it-py
@@ -212,7 +213,7 @@ numpy==1.26.4
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  # solvation-analysis
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  # spglib
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  # statsmodels
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- orjson==3.10.4
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+ orjson==3.10.5
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  # via
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  # fastapi
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  # maggma
@@ -257,7 +258,7 @@ 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==2.7.3
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+ pydantic==2.7.4
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  # via
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  # emmet-core
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  # fastapi
@@ -265,7 +266,7 @@ pydantic==2.7.3
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  # pydantic-settings
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  pydantic-core==2.18.4
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  # via pydantic
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- pydantic-settings==2.3.2
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+ pydantic-settings==2.3.3
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  # via
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  # emmet-core
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  # maggma
@@ -379,7 +380,9 @@ sniffio==1.3.1
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  # anyio
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  # httpx
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  solvation-analysis==0.4.0
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- # via emmet-builders (setup.py)
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+ # via
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+ # emmet-builders (setup.py)
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+ # emmet-core
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  spglib==2.4.0
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  # via
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  # phonopy
@@ -398,7 +401,7 @@ sympy==1.12.1
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  # pymatgen
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  tabulate==0.9.0
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  # via pymatgen
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- tenacity==8.3.0
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+ tenacity==8.4.1
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  # via plotly
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  threadpoolctl==3.5.0
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  # via
@@ -435,7 +438,7 @@ ujson==5.10.0
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  # via fastapi
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  uncertainties==3.2.1
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  # via pymatgen
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- urllib3==2.2.1
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+ urllib3==2.2.2
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  # via
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  # botocore
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  # requests
{emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -33,9 +33,9 @@ bcrypt==4.1.3
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  # via paramiko
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  blinker==1.8.2
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  # via flask
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- boto3==1.34.124
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+ boto3==1.34.127
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  # via maggma
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- botocore==1.34.124
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+ botocore==1.34.127
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  # via
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  # boto3
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  # s3transfer
@@ -87,9 +87,9 @@ dnspython==2.6.1
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  # email-validator
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  # maggma
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  # pymongo
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- email-validator==2.1.1
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+ email-validator==2.1.2
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  # via fastapi
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- emmet-core[all,ml]==0.83.8
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+ emmet-core[all,ml]==0.83.9
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
@@ -103,12 +103,12 @@ fastapi-cli==0.0.4
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  # via fastapi
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  fasteners==0.19
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  # via mdanalysis
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- filelock==3.14.0
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+ filelock==3.15.1
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  # via
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  # torch
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  # triton
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  # virtualenv
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- flake8==7.0.0
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+ flake8==7.1.0
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  # via emmet-builders (setup.py)
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  flask==3.0.3
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  # via mongogrant
@@ -127,7 +127,7 @@ ghp-import==2.1.0
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  # via mkdocs
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  griddataformats==1.0.2
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  # via mdanalysis
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- griffe==0.45.3
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+ griffe==0.46.1
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  # via mkdocstrings-python
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  h11==0.14.0
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  # via
@@ -188,7 +188,7 @@ kiwisolver==1.4.5
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  # via matplotlib
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  latexcodec==3.0.0
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  # via pybtex
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- lightning==2.2.5
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+ lightning==2.3.0
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  # via matgl
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  lightning-utilities==0.11.2
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  # via
@@ -239,6 +239,7 @@ mda-xdrlib==0.2.0
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  mdanalysis==2.7.0
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  # via
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  # emmet-builders (setup.py)
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+ # emmet-core
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  # solvation-analysis
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  mdurl==0.1.2
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  # via markdown-it-py
@@ -386,7 +387,7 @@ nvidia-nvjitlink-cu12==12.5.40
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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==3.10.4
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+ orjson==3.10.5
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  # via
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  # fastapi
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  # maggma
@@ -445,13 +446,13 @@ pybtex==0.24.0
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  # emmet-core
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  # pymatgen
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  # robocrys
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- pycodestyle==2.11.1
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+ pycodestyle==2.12.0
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  # via
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  # emmet-builders (setup.py)
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  # flake8
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  pycparser==2.22
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  # via cffi
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- pydantic==2.7.3
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+ pydantic==2.7.4
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  # via
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  # emmet-core
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  # fastapi
@@ -460,7 +461,7 @@ pydantic==2.7.3
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  # pydantic-settings
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  pydantic-core==2.18.4
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  # via pydantic
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- pydantic-settings==2.3.2
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+ pydantic-settings==2.3.3
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  # via
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  # emmet-core
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  # maggma
@@ -522,7 +523,7 @@ python-dotenv==1.0.1
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  # uvicorn
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  python-multipart==0.0.9
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  # via fastapi
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- pytorch-lightning==2.2.5
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+ pytorch-lightning==2.3.0
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  # via lightning
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  pytz==2024.1
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  # via pandas
@@ -610,7 +611,9 @@ sniffio==1.3.1
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  snowballstemmer==2.2.0
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  # via pydocstyle
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  solvation-analysis==0.4.0
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- # via emmet-builders (setup.py)
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+ # via
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+ # emmet-builders (setup.py)
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+ # emmet-core
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  spglib==2.4.0
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  # via
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  # phonopy
@@ -630,7 +633,7 @@ sympy==1.12.1
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  # torch
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  tabulate==0.9.0
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  # via pymatgen
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- tenacity==8.3.0
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+ tenacity==8.4.1
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  # via plotly
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  threadpoolctl==3.5.0
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  # via
@@ -700,7 +703,7 @@ ujson==5.10.0
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  # via fastapi
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  uncertainties==3.2.1
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  # via pymatgen
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- urllib3==2.2.1
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+ urllib3==2.2.2
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  # via
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  # botocore
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709
  # requests
{emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.11.txt RENAMED
@@ -23,9 +23,9 @@ bcrypt==4.1.3
23
23
  # via paramiko
24
24
  blinker==1.8.2
25
25
  # via flask
26
- boto3==1.34.124
26
+ boto3==1.34.127
27
27
  # via maggma
28
- botocore==1.34.124
28
+ botocore==1.34.127
29
29
  # via
30
30
  # boto3
31
31
  # s3transfer
@@ -57,9 +57,9 @@ dnspython==2.6.1
57
57
  # email-validator
58
58
  # maggma
59
59
  # pymongo
60
- email-validator==2.1.1
60
+ email-validator==2.1.2
61
61
  # via fastapi
62
- emmet-core[all]==0.83.8
62
+ emmet-core[all]==0.83.9
63
63
  # via
64
64
  # emmet-builders (setup.py)
65
65
  # mp-api
@@ -150,6 +150,7 @@ mda-xdrlib==0.2.0
150
150
  mdanalysis==2.7.0
151
151
  # via
152
152
  # emmet-builders (setup.py)
153
+ # emmet-core
153
154
  # solvation-analysis
154
155
  mdurl==0.1.2
155
156
  # via markdown-it-py
@@ -208,7 +209,7 @@ numpy==1.26.4
208
209
  # solvation-analysis
209
210
  # spglib
210
211
  # statsmodels
211
- orjson==3.10.4
212
+ orjson==3.10.5
212
213
  # via
213
214
  # fastapi
214
215
  # maggma
@@ -253,7 +254,7 @@ pybtex==0.24.0
253
254
  # robocrys
254
255
  pycparser==2.22
255
256
  # via cffi
256
- pydantic==2.7.3
257
+ pydantic==2.7.4
257
258
  # via
258
259
  # emmet-core
259
260
  # fastapi
@@ -261,7 +262,7 @@ pydantic==2.7.3
261
262
  # pydantic-settings
262
263
  pydantic-core==2.18.4
263
264
  # via pydantic
264
- pydantic-settings==2.3.2
265
+ pydantic-settings==2.3.3
265
266
  # via
266
267
  # emmet-core
267
268
  # maggma
@@ -375,7 +376,9 @@ sniffio==1.3.1
375
376
  # anyio
376
377
  # httpx
377
378
  solvation-analysis==0.4.0
378
- # via emmet-builders (setup.py)
379
+ # via
380
+ # emmet-builders (setup.py)
381
+ # emmet-core
379
382
  spglib==2.4.0
380
383
  # via
381
384
  # phonopy
@@ -394,7 +397,7 @@ sympy==1.12.1
394
397
  # pymatgen
395
398
  tabulate==0.9.0
396
399
  # via pymatgen
397
- tenacity==8.3.0
400
+ tenacity==8.4.1
398
401
  # via plotly
399
402
  threadpoolctl==3.5.0
400
403
  # via
@@ -427,7 +430,7 @@ ujson==5.10.0
427
430
  # via fastapi
428
431
  uncertainties==3.2.1
429
432
  # via pymatgen
430
- urllib3==2.2.1
433
+ urllib3==2.2.2
431
434
  # via
432
435
  # botocore
433
436
  # requests
{emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.11_extras.txt RENAMED
@@ -31,9 +31,9 @@ bcrypt==4.1.3
31
31
  # via paramiko
32
32
  blinker==1.8.2
33
33
  # via flask
34
- boto3==1.34.124
34
+ boto3==1.34.127
35
35
  # via maggma
36
- botocore==1.34.124
36
+ botocore==1.34.127
37
37
  # via
38
38
  # boto3
39
39
  # s3transfer
@@ -85,9 +85,9 @@ dnspython==2.6.1
85
85
  # email-validator
86
86
  # maggma
87
87
  # pymongo
88
- email-validator==2.1.1
88
+ email-validator==2.1.2
89
89
  # via fastapi
90
- emmet-core[all,ml]==0.83.8
90
+ emmet-core[all,ml]==0.83.9
91
91
  # via
92
92
  # emmet-builders (setup.py)
93
93
  # mp-api
@@ -97,12 +97,12 @@ fastapi-cli==0.0.4
97
97
  # via fastapi
98
98
  fasteners==0.19
99
99
  # via mdanalysis
100
- filelock==3.14.0
100
+ filelock==3.15.1
101
101
  # via
102
102
  # torch
103
103
  # triton
104
104
  # virtualenv
105
- flake8==7.0.0
105
+ flake8==7.1.0
106
106
  # via emmet-builders (setup.py)
107
107
  flask==3.0.3
108
108
  # via mongogrant
@@ -121,7 +121,7 @@ ghp-import==2.1.0
121
121
  # via mkdocs
122
122
  griddataformats==1.0.2
123
123
  # via mdanalysis
124
- griffe==0.45.3
124
+ griffe==0.46.1
125
125
  # via mkdocstrings-python
126
126
  h11==0.14.0
127
127
  # via
@@ -182,7 +182,7 @@ kiwisolver==1.4.5
182
182
  # via matplotlib
183
183
  latexcodec==3.0.0
184
184
  # via pybtex
185
- lightning==2.2.5
185
+ lightning==2.3.0
186
186
  # via matgl
187
187
  lightning-utilities==0.11.2
188
188
  # via
@@ -233,6 +233,7 @@ mda-xdrlib==0.2.0
233
233
  mdanalysis==2.7.0
234
234
  # via
235
235
  # emmet-builders (setup.py)
236
+ # emmet-core
236
237
  # solvation-analysis
237
238
  mdurl==0.1.2
238
239
  # via markdown-it-py
@@ -380,7 +381,7 @@ nvidia-nvjitlink-cu12==12.5.40
380
381
  # nvidia-cusparse-cu12
381
382
  nvidia-nvtx-cu12==12.1.105
382
383
  # via torch
383
- orjson==3.10.4
384
+ orjson==3.10.5
384
385
  # via
385
386
  # fastapi
386
387
  # maggma
@@ -439,13 +440,13 @@ pybtex==0.24.0
439
440
  # emmet-core
440
441
  # pymatgen
441
442
  # robocrys
442
- pycodestyle==2.11.1
443
+ pycodestyle==2.12.0
443
444
  # via
444
445
  # emmet-builders (setup.py)
445
446
  # flake8
446
447
  pycparser==2.22
447
448
  # via cffi
448
- pydantic==2.7.3
449
+ pydantic==2.7.4
449
450
  # via
450
451
  # emmet-core
451
452
  # fastapi
@@ -454,7 +455,7 @@ pydantic==2.7.3
454
455
  # pydantic-settings
455
456
  pydantic-core==2.18.4
456
457
  # via pydantic
457
- pydantic-settings==2.3.2
458
+ pydantic-settings==2.3.3
458
459
  # via
459
460
  # emmet-core
460
461
  # maggma
@@ -516,7 +517,7 @@ python-dotenv==1.0.1
516
517
  # uvicorn
517
518
  python-multipart==0.0.9
518
519
  # via fastapi
519
- pytorch-lightning==2.2.5
520
+ pytorch-lightning==2.3.0
520
521
  # via lightning
521
522
  pytz==2024.1
522
523
  # via pandas
@@ -604,7 +605,9 @@ sniffio==1.3.1
604
605
  snowballstemmer==2.2.0
605
606
  # via pydocstyle
606
607
  solvation-analysis==0.4.0
607
- # via emmet-builders (setup.py)
608
+ # via
609
+ # emmet-builders (setup.py)
610
+ # emmet-core
608
611
  spglib==2.4.0
609
612
  # via
610
613
  # phonopy
@@ -624,7 +627,7 @@ sympy==1.12.1
624
627
  # torch
625
628
  tabulate==0.9.0
626
629
  # via pymatgen
627
- tenacity==8.3.0
630
+ tenacity==8.4.1
628
631
  # via plotly
629
632
  threadpoolctl==3.5.0
630
633
  # via
@@ -687,7 +690,7 @@ ujson==5.10.0
687
690
  # via fastapi
688
691
  uncertainties==3.2.1
689
692
  # via pymatgen
690
- urllib3==2.2.1
693
+ urllib3==2.2.2
691
694
  # via
692
695
  # botocore
693
696
  # requests
{emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.9.txt RENAMED
@@ -23,9 +23,9 @@ bcrypt==4.1.3
23
23
  # via paramiko
24
24
  blinker==1.8.2
25
25
  # via flask
26
- boto3==1.34.124
26
+ boto3==1.34.127
27
27
  # via maggma
28
- botocore==1.34.124
28
+ botocore==1.34.127
29
29
  # via
30
30
  # boto3
31
31
  # s3transfer
@@ -57,9 +57,9 @@ dnspython==2.6.1
57
57
  # email-validator
58
58
  # maggma
59
59
  # pymongo
60
- email-validator==2.1.1
60
+ email-validator==2.1.2
61
61
  # via fastapi
62
- emmet-core[all]==0.83.8
62
+ emmet-core[all]==0.83.9
63
63
  # via
64
64
  # emmet-builders (setup.py)
65
65
  # mp-api
@@ -162,6 +162,7 @@ mda-xdrlib==0.2.0
162
162
  mdanalysis==2.7.0
163
163
  # via
164
164
  # emmet-builders (setup.py)
165
+ # emmet-core
165
166
  # solvation-analysis
166
167
  mdurl==0.1.2
167
168
  # via markdown-it-py
@@ -220,7 +221,7 @@ numpy==1.26.4
220
221
  # solvation-analysis
221
222
  # spglib
222
223
  # statsmodels
223
- orjson==3.10.4
224
+ orjson==3.10.5
224
225
  # via
225
226
  # fastapi
226
227
  # maggma
@@ -265,7 +266,7 @@ pybtex==0.24.0
265
266
  # robocrys
266
267
  pycparser==2.22
267
268
  # via cffi
268
- pydantic==2.7.3
269
+ pydantic==2.7.4
269
270
  # via
270
271
  # emmet-core
271
272
  # fastapi
@@ -273,7 +274,7 @@ pydantic==2.7.3
273
274
  # pydantic-settings
274
275
  pydantic-core==2.18.4
275
276
  # via pydantic
276
- pydantic-settings==2.3.2
277
+ pydantic-settings==2.3.3
277
278
  # via
278
279
  # emmet-core
279
280
  # maggma
@@ -387,7 +388,9 @@ sniffio==1.3.1
387
388
  # anyio
388
389
  # httpx
389
390
  solvation-analysis==0.4.0
390
- # via emmet-builders (setup.py)
391
+ # via
392
+ # emmet-builders (setup.py)
393
+ # emmet-core
391
394
  spglib==2.4.0
392
395
  # via
393
396
  # phonopy
@@ -406,7 +409,7 @@ sympy==1.12.1
406
409
  # pymatgen
407
410
  tabulate==0.9.0
408
411
  # via pymatgen
409
- tenacity==8.3.0
412
+ tenacity==8.4.1
410
413
  # via plotly
411
414
  threadpoolctl==3.5.0
412
415
  # via
@@ -445,7 +448,7 @@ ujson==5.10.0
445
448
  # via fastapi
446
449
  uncertainties==3.2.1
447
450
  # via pymatgen
448
- urllib3==1.26.18
451
+ urllib3==1.26.19
449
452
  # via
450
453
  # botocore
451
454
  # requests
{emmet-builders-0.83.9 → emmet-builders-0.84.1}/requirements/ubuntu-latest_py3.9_extras.txt RENAMED
@@ -33,9 +33,9 @@ bcrypt==4.1.3
33
33
  # via paramiko
34
34
  blinker==1.8.2
35
35
  # via flask
36
- boto3==1.34.124
36
+ boto3==1.34.127
37
37
  # via maggma
38
- botocore==1.34.124
38
+ botocore==1.34.127
39
39
  # via
40
40
  # boto3
41
41
  # s3transfer
@@ -87,9 +87,9 @@ dnspython==2.6.1
87
87
  # email-validator
88
88
  # maggma
89
89
  # pymongo
90
- email-validator==2.1.1
90
+ email-validator==2.1.2
91
91
  # via fastapi
92
- emmet-core[all,ml]==0.83.8
92
+ emmet-core[all,ml]==0.83.9
93
93
  # via
94
94
  # emmet-builders (setup.py)
95
95
  # mp-api
@@ -103,12 +103,12 @@ fastapi-cli==0.0.4
103
103
  # via fastapi
104
104
  fasteners==0.19
105
105
  # via mdanalysis
106
- filelock==3.14.0
106
+ filelock==3.15.1
107
107
  # via
108
108
  # torch
109
109
  # triton
110
110
  # virtualenv
111
- flake8==7.0.0
111
+ flake8==7.1.0
112
112
  # via emmet-builders (setup.py)
113
113
  flask==3.0.3
114
114
  # via mongogrant
@@ -127,7 +127,7 @@ ghp-import==2.1.0
127
127
  # via mkdocs
128
128
  griddataformats==1.0.2
129
129
  # via mdanalysis
130
- griffe==0.45.3
130
+ griffe==0.46.1
131
131
  # via mkdocstrings-python
132
132
  h11==0.14.0
133
133
  # via
@@ -200,7 +200,7 @@ kiwisolver==1.4.5
200
200
  # via matplotlib
201
201
  latexcodec==3.0.0
202
202
  # via pybtex
203
- lightning==2.2.5
203
+ lightning==2.3.0
204
204
  # via matgl
205
205
  lightning-utilities==0.11.2
206
206
  # via
@@ -251,6 +251,7 @@ mda-xdrlib==0.2.0
251
251
  mdanalysis==2.7.0
252
252
  # via
253
253
  # emmet-builders (setup.py)
254
+ # emmet-core
254
255
  # solvation-analysis
255
256
  mdurl==0.1.2
256
257
  # via markdown-it-py
@@ -398,7 +399,7 @@ nvidia-nvjitlink-cu12==12.5.40
398
399
  # nvidia-cusparse-cu12
399
400
  nvidia-nvtx-cu12==12.1.105
400
401
  # via torch
401
- orjson==3.10.4
402
+ orjson==3.10.5
402
403
  # via
403
404
  # fastapi
404
405
  # maggma
@@ -457,13 +458,13 @@ pybtex==0.24.0
457
458
  # emmet-core
458
459
  # pymatgen
459
460
  # robocrys
460
- pycodestyle==2.11.1
461
+ pycodestyle==2.12.0
461
462
  # via
462
463
  # emmet-builders (setup.py)
463
464
  # flake8
464
465
  pycparser==2.22
465
466
  # via cffi
466
- pydantic==2.7.3
467
+ pydantic==2.7.4
467
468
  # via
468
469
  # emmet-core
469
470
  # fastapi
@@ -472,7 +473,7 @@ pydantic==2.7.3
472
473
  # pydantic-settings
473
474
  pydantic-core==2.18.4
474
475
  # via pydantic
475
- pydantic-settings==2.3.2
476
+ pydantic-settings==2.3.3
476
477
  # via
477
478
  # emmet-core
478
479
  # maggma
@@ -534,7 +535,7 @@ python-dotenv==1.0.1
534
535
  # uvicorn
535
536
  python-multipart==0.0.9
536
537
  # via fastapi
537
- pytorch-lightning==2.2.5
538
+ pytorch-lightning==2.3.0
538
539
  # via lightning
539
540
  pytz==2024.1
540
541
  # via pandas
@@ -622,7 +623,9 @@ sniffio==1.3.1
622
623
  snowballstemmer==2.2.0
623
624
  # via pydocstyle
624
625
  solvation-analysis==0.4.0
625
- # via emmet-builders (setup.py)
626
+ # via
627
+ # emmet-builders (setup.py)
628
+ # emmet-core
626
629
  spglib==2.4.0
627
630
  # via
628
631
  # phonopy
@@ -642,7 +645,7 @@ sympy==1.12.1
642
645
  # torch
643
646
  tabulate==0.9.0
644
647
  # via pymatgen
645
- tenacity==8.3.0
648
+ tenacity==8.4.1
646
649
  # via plotly
647
650
  threadpoolctl==3.5.0
648
651
  # via
@@ -717,7 +720,7 @@ ujson==5.10.0
717
720
  # via fastapi
718
721
  uncertainties==3.2.1
719
722
  # via pymatgen
720
- urllib3==1.26.18
723
+ urllib3==1.26.19
721
724
  # via
722
725
  # botocore
723
726
  # requests