emmet-builders 0.84.6rc3__tar.gz → 0.84.6rc5__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
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- {emmet_builders-0.84.6rc3/emmet_builders.egg-info → emmet_builders-0.84.6rc5}/PKG-INFO +2 -2
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5/emmet_builders.egg-info}/PKG-INFO +2 -2
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.10.txt +39 -38
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.10_extras.txt +68 -66
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.11.txt +39 -38
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.11_extras.txt +67 -66
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/setup.py +1 -1
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_elasticity.py +1 -1
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/MANIFEST.in +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/phonon.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/feff/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/feff/xas.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/alloys.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/bonds.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/chemenv.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/dielectric.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/elasticity.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/electrodes.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/magnetism.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/ml.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/optimade.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/provenance.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/robocrys.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/similarity.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/substrates.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/summary.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/materials/thermo.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/mobility/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/atomic.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/bonds.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/electric.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/redox.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/summary.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/thermo.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/trajectory.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/vibration.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/qchem/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/qchem/molecules.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/settings.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/utils.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/materials.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/requirements/deployment.txt +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/setup.cfg +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/conftest.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/__init__.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_atomic.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_bonds.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_electric.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_metal_binding.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_orbitals.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_redox.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_summary.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_thermo.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_trajectory.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/molecules/test_vibration.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_absorption.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_basic_descriptors.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_chemenv.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_dielectric.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_electronic_structure.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_magnetism.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_materials.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_ml.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_mobility.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_oxidation.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_piezoelectric.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_qchem.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_similarity.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_summary.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_utils.py +0 -0
- {emmet_builders-0.84.6rc3 → emmet_builders-0.84.6rc5}/tests/test_vasp.py +0 -0
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Metadata-Version: 2.2
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Name: emmet-builders
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Version: 0.84.
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Version: 0.84.6rc5
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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
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Author-email: feedback@materialsproject.org
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License: modified BSD
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Description-Content-Type: text/markdown
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Requires-Dist: emmet-core[all]
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Requires-Dist: maggma>=0.57.6
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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
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License: modified BSD
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# via
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# matcalc
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# pymatgen-analysis-diffusion
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attrs==
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attrs==25.1.0
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# via
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# jsonlines
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# jsonschema
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# referencing
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# via paramiko
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# via
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phonopy==2.37.0
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plotly==
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plotly==6.0.0
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pydantic==2.10.
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pydantic==2.10.6
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pymatgen==
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pytz==
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# pandas
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@@ -293,11 +295,11 @@ pyyaml==6.0.2
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rdkit==2024.9.
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referencing==0.
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referencing==0.36.2
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# referencing
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# via ruamel-yaml
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+
s3transfer==0.11.2
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# via boto3
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-
scikit-image==0.25.
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+
scikit-image==0.25.2
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-
scikit-learn==1.6.
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+
scikit-learn==1.6.1
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# via matminer
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329
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-
scipy==1.15.
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+
scipy==1.15.2
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# via
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# ase
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# griddataformats
|
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@@ -345,7 +347,7 @@ seekpath==2.1.0
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# via emmet-core
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sentinels==1.0.0
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347
349
|
# via mongomock
|
|
348
|
-
shapely==2.0.
|
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350
|
+
shapely==2.0.7
|
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349
351
|
# via pymatgen-analysis-alloys
|
|
350
352
|
six==1.17.0
|
|
351
353
|
# via
|
|
@@ -368,7 +370,7 @@ sshtunnel==0.4.0
|
|
|
368
370
|
# via maggma
|
|
369
371
|
statsmodels==0.14.4
|
|
370
372
|
# via solvation-analysis
|
|
371
|
-
symfc==1.
|
|
373
|
+
symfc==1.3.3
|
|
372
374
|
# via phonopy
|
|
373
375
|
sympy==1.13.3
|
|
374
376
|
# via
|
|
@@ -376,13 +378,11 @@ sympy==1.13.3
|
|
|
376
378
|
# pymatgen
|
|
377
379
|
tabulate==0.9.0
|
|
378
380
|
# via pymatgen
|
|
379
|
-
tenacity==9.0.0
|
|
380
|
-
# via plotly
|
|
381
381
|
threadpoolctl==3.5.0
|
|
382
382
|
# via
|
|
383
383
|
# mdanalysis
|
|
384
384
|
# scikit-learn
|
|
385
|
-
tifffile==
|
|
385
|
+
tifffile==2025.2.18
|
|
386
386
|
# via scikit-image
|
|
387
387
|
tomli==2.2.1
|
|
388
388
|
# via pytest
|
|
@@ -392,7 +392,7 @@ tqdm==4.67.1
|
|
|
392
392
|
# matminer
|
|
393
393
|
# mdanalysis
|
|
394
394
|
# pymatgen
|
|
395
|
-
typeguard==4.4.
|
|
395
|
+
typeguard==4.4.2
|
|
396
396
|
# via inflect
|
|
397
397
|
typing-extensions==4.12.2
|
|
398
398
|
# via
|
|
@@ -401,8 +401,9 @@ typing-extensions==4.12.2
|
|
|
401
401
|
# pydantic
|
|
402
402
|
# pydantic-core
|
|
403
403
|
# pydash
|
|
404
|
+
# referencing
|
|
404
405
|
# typeguard
|
|
405
|
-
tzdata==
|
|
406
|
+
tzdata==2025.1
|
|
406
407
|
# via pandas
|
|
407
408
|
uncertainties==3.2.2
|
|
408
409
|
# via pymatgen
|
|
@@ -412,7 +413,7 @@ urllib3==2.3.0
|
|
|
412
413
|
# requests
|
|
413
414
|
waterdynamics==1.2.0
|
|
414
415
|
# via mdanalysis
|
|
415
|
-
wrapt==1.17.
|
|
416
|
+
wrapt==1.17.2
|
|
416
417
|
# via smart-open
|
|
417
418
|
|
|
418
419
|
# The following packages are considered to be unsafe in a requirements file:
|