emmet-builders 0.74.5__tar.gz → 0.74.6__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-0.74.5 → emmet-builders-0.74.6}/PKG-INFO +1 -1
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet_builders.egg-info/PKG-INFO +1 -1
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/requirements/deployment.txt +15 -14
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/abinit/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/abinit/phonon.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/feff/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/feff/xas.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/alloys.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/bonds.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/chemenv.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/dielectric.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/elasticity.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/electrodes.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/magnetism.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/ml.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/optimade.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/provenance.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/robocrys.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/similarity.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/substrates.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/summary.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/materials/thermo.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/mobility/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/atomic.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/bonds.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/redox.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/summary.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/thermo.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/molecules/vibration.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/qchem/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/qchem/molecules.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/settings.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/utils.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/vasp/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/vasp/materials.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/requirements/ubuntu-latest_py3.10.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/requirements/ubuntu-latest_py3.10_extras.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/requirements/ubuntu-latest_py3.11.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/requirements/ubuntu-latest_py3.11_extras.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/requirements/ubuntu-latest_py3.9.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/requirements/ubuntu-latest_py3.9_extras.txt +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/setup.cfg +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/setup.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/conftest.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/__init__.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_atomic.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_bonds.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_metal_binding.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_orbitals.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_redox.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_summary.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_thermo.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/molecules/test_vibration.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_absorption.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_basic_descriptors.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_chemenv.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_dielectric.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_elasticity.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_electronic_structure.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_magnetism.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_materials.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_ml.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_mobility.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_oxidation.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_piezoelectric.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_qchem.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_similarity.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_summary.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_utils.py +0 -0
- {emmet-builders-0.74.5 → emmet-builders-0.74.6}/tests/test_vasp.py +0 -0
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# aiohttp
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# jsonschema
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# referencing
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bcrypt==4.
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bcrypt==4.1.1
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blinker==1.7.0
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# via flask
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boto3==1.33.
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boto3==1.33.6
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botocore==1.33.
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botocore==1.33.6
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# via
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# boto3
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# s3transfer
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# uvicorn
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contourpy==1.2.0
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# via matplotlib
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cryptography==41.0.
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cryptography==41.0.7
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# via paramiko
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cycler==0.12.1
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# via
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# maggma
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# pymongo
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emmet-core[all,ml]==0.74.5
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# via emmet-builders (emmet/emmet-builders/setup.py)
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# via anyio
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# via jsonschema
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File without changes
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File without changes
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File without changes
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File without changes
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File without changes
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File without changes
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File without changes
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
|
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File without changes
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File without changes
|
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File without changes
|
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File without changes
|