emmet-builders 0.84.5__tar.gz → 0.84.6rc1__tar.gz

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Files changed (96) hide show
  1. {emmet_builders-0.84.5/emmet_builders.egg-info → emmet_builders-0.84.6rc1}/PKG-INFO +1 -1
  2. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1/emmet_builders.egg-info}/PKG-INFO +1 -1
  3. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.10.txt +3 -3
  4. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.10_extras.txt +6 -6
  5. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.11.txt +3 -3
  6. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.11_extras.txt +6 -6
  7. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/MANIFEST.in +0 -0
  8. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/__init__.py +0 -0
  9. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/abinit/__init__.py +0 -0
  10. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/abinit/phonon.py +0 -0
  11. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/abinit/sound_velocity.py +0 -0
  12. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/feff/__init__.py +0 -0
  13. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/feff/xas.py +0 -0
  14. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/__init__.py +0 -0
  15. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/absorption_spectrum.py +0 -0
  16. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/alloys.py +0 -0
  17. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/basic_descriptors.py +0 -0
  18. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/bonds.py +0 -0
  19. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/chemenv.py +0 -0
  20. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/corrected_entries.py +0 -0
  21. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/dielectric.py +0 -0
  22. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/elasticity.py +0 -0
  23. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/electrodes.py +0 -0
  24. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/electronic_structure.py +0 -0
  25. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/magnetism.py +0 -0
  26. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/ml.py +0 -0
  27. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/optimade.py +0 -0
  28. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/oxidation_states.py +0 -0
  29. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/piezoelectric.py +0 -0
  30. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/provenance.py +0 -0
  31. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/robocrys.py +0 -0
  32. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/similarity.py +0 -0
  33. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/substrates.py +0 -0
  34. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/summary.py +0 -0
  35. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/materials/thermo.py +0 -0
  36. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/matscholar/missing_compositions.py +0 -0
  37. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/mobility/__init__.py +0 -0
  38. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/mobility/migration_graph.py +0 -0
  39. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/__init__.py +0 -0
  40. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/atomic.py +0 -0
  41. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/bonds.py +0 -0
  42. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/electric.py +0 -0
  43. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/metal_binding.py +0 -0
  44. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/orbitals.py +0 -0
  45. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/redox.py +0 -0
  46. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/summary.py +0 -0
  47. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/thermo.py +0 -0
  48. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/trajectory.py +0 -0
  49. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/molecules/vibration.py +0 -0
  50. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/qchem/__init__.py +0 -0
  51. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/qchem/molecules.py +0 -0
  52. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/settings.py +0 -0
  53. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/utils.py +0 -0
  54. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/vasp/__init__.py +0 -0
  55. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/vasp/materials.py +0 -0
  56. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
  57. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet/builders/vasp/task_validator.py +0 -0
  58. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet_builders.egg-info/SOURCES.txt +0 -0
  59. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet_builders.egg-info/dependency_links.txt +0 -0
  60. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet_builders.egg-info/not-zip-safe +0 -0
  61. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet_builders.egg-info/requires.txt +0 -0
  62. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/emmet_builders.egg-info/top_level.txt +0 -0
  63. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/deployment.txt +0 -0
  64. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/setup.cfg +0 -0
  65. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/setup.py +0 -0
  66. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/__init__.py +0 -0
  67. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/conftest.py +0 -0
  68. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/__init__.py +0 -0
  69. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_atomic.py +0 -0
  70. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_bonds.py +0 -0
  71. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_electric.py +0 -0
  72. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_metal_binding.py +0 -0
  73. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_orbitals.py +0 -0
  74. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_redox.py +0 -0
  75. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_summary.py +0 -0
  76. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_thermo.py +0 -0
  77. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_trajectory.py +0 -0
  78. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/molecules/test_vibration.py +0 -0
  79. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_absorption.py +0 -0
  80. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_basic_descriptors.py +0 -0
  81. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_chemenv.py +0 -0
  82. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_corrected_entries_thermo.py +0 -0
  83. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_dielectric.py +0 -0
  84. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_elasticity.py +0 -0
  85. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_electronic_structure.py +0 -0
  86. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_magnetism.py +0 -0
  87. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_materials.py +0 -0
  88. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_ml.py +0 -0
  89. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_mobility.py +0 -0
  90. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_oxidation.py +0 -0
  91. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_piezoelectric.py +0 -0
  92. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_qchem.py +0 -0
  93. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_similarity.py +0 -0
  94. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_summary.py +0 -0
  95. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_utils.py +0 -0
  96. {emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/tests/test_vasp.py +0 -0
{emmet_builders-0.84.5/emmet_builders.egg-info → emmet_builders-0.84.6rc1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.84.5
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+ Version: 0.84.6rc1
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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-0.84.5 → emmet_builders-0.84.6rc1/emmet_builders.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: emmet-builders
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- Version: 0.84.5
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+ Version: 0.84.6rc1
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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-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.10.txt RENAMED
@@ -19,9 +19,9 @@ attrs==24.3.0
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  # referencing
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  bcrypt==4.2.1
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  # via paramiko
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- boto3==1.35.83
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+ boto3==1.35.85
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  # via maggma
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- botocore==1.35.83
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+ botocore==1.35.85
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  # via
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  # boto3
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  # s3transfer
@@ -43,7 +43,7 @@ dnspython==2.7.0
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  # via
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  # maggma
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  # pymongo
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- emmet-core[all]==0.84.4
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+ emmet-core[all]==0.84.5
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
{emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.10_extras.txt RENAMED
@@ -6,7 +6,7 @@
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  #
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  aiohappyeyeballs==2.4.4
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  # via aiohttp
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- aiohttp==3.11.10
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+ aiohttp==3.11.11
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  # via fsspec
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  aioitertools==0.12.0
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  # via maggma
@@ -30,9 +30,9 @@ attrs==24.3.0
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  # referencing
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  bcrypt==4.2.1
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  # via paramiko
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- boto3==1.35.83
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+ boto3==1.35.85
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  # via maggma
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- botocore==1.35.83
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+ botocore==1.35.85
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  # via
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  # boto3
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  # s3transfer
@@ -78,7 +78,7 @@ dnspython==2.7.0
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  # via
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  # maggma
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  # pymongo
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- emmet-core[all,ml]==0.84.4
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+ emmet-core[all,ml]==0.84.5
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
@@ -99,7 +99,7 @@ frozenlist==1.5.0
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  # via
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  # aiohttp
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  # aiosignal
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- fsspec[http]==2024.10.0
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+ fsspec[http]==2024.12.0
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  # via
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  # lightning
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  # pytorch-lightning
@@ -433,7 +433,7 @@ propcache==0.2.1
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  # via
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  # aiohttp
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  # yarl
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- psutil==6.1.0
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+ psutil==6.1.1
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  # via dgl
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  pubchempy==1.0.4
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  # via robocrys
{emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.11.txt RENAMED
@@ -19,9 +19,9 @@ attrs==24.3.0
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  # referencing
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  bcrypt==4.2.1
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  # via paramiko
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- boto3==1.35.83
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+ boto3==1.35.85
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  # via maggma
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- botocore==1.35.83
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+ botocore==1.35.85
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  # via
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  # boto3
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  # s3transfer
@@ -43,7 +43,7 @@ dnspython==2.7.0
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  # via
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  # maggma
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  # pymongo
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- emmet-core[all]==0.84.4
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+ emmet-core[all]==0.84.5
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
{emmet_builders-0.84.5 → emmet_builders-0.84.6rc1}/requirements/ubuntu-latest_py3.11_extras.txt RENAMED
@@ -6,7 +6,7 @@
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  #
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  aiohappyeyeballs==2.4.4
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  # via aiohttp
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- aiohttp==3.11.10
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+ aiohttp==3.11.11
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  # via fsspec
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  aioitertools==0.12.0
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  # via maggma
@@ -28,9 +28,9 @@ attrs==24.3.0
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  # referencing
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  bcrypt==4.2.1
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  # via paramiko
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- boto3==1.35.83
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+ boto3==1.35.85
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  # via maggma
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- botocore==1.35.83
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+ botocore==1.35.85
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  # via
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  # boto3
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  # s3transfer
@@ -76,7 +76,7 @@ dnspython==2.7.0
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  # via
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  # maggma
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  # pymongo
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- emmet-core[all,ml]==0.84.4
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+ emmet-core[all,ml]==0.84.5
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  # via
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  # emmet-builders (setup.py)
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  # mp-api
@@ -95,7 +95,7 @@ frozenlist==1.5.0
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  # via
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  # aiohttp
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  # aiosignal
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- fsspec[http]==2024.10.0
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+ fsspec[http]==2024.12.0
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  # via
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  # lightning
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  # pytorch-lightning
@@ -429,7 +429,7 @@ propcache==0.2.1
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  # via
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  # aiohttp
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  # yarl
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- psutil==6.1.0
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+ psutil==6.1.1
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  # via dgl
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  pubchempy==1.0.4
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  # via robocrys