emmet-builders 0.78.0rc4__tar.gz → 0.78.2__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-0.78.0rc4 → emmet-builders-0.78.2}/PKG-INFO +1 -1
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet_builders.egg-info/PKG-INFO +1 -1
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/ubuntu-latest_py3.10.txt +21 -21
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/ubuntu-latest_py3.10_extras.txt +30 -32
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/ubuntu-latest_py3.11.txt +21 -21
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/ubuntu-latest_py3.11_extras.txt +30 -32
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/ubuntu-latest_py3.9.txt +22 -22
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/ubuntu-latest_py3.9_extras.txt +30 -32
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/abinit/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/abinit/phonon.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/feff/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/feff/xas.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/alloys.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/bonds.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/chemenv.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/dielectric.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/elasticity.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/electrodes.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/magnetism.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/ml.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/optimade.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/provenance.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/robocrys.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/similarity.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/substrates.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/summary.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/materials/thermo.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/mobility/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/atomic.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/bonds.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/redox.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/summary.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/thermo.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/molecules/vibration.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/qchem/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/qchem/molecules.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/settings.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/utils.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/vasp/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/vasp/materials.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/deployment.txt +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/setup.cfg +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/setup.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/conftest.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/__init__.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_atomic.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_bonds.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_metal_binding.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_orbitals.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_redox.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_summary.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_thermo.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/molecules/test_vibration.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_absorption.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_basic_descriptors.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_chemenv.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_dielectric.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_elasticity.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_electronic_structure.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_magnetism.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_materials.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_ml.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_mobility.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_oxidation.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_piezoelectric.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_qchem.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_similarity.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_summary.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_utils.py +0 -0
- {emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/tests/test_vasp.py +0 -0
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@@ -12,7 +12,7 @@ aiosignal==1.3.1
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# via aiohttp
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annotated-types==0.6.0
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# via pydantic
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anyio==4.
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anyio==4.3.0
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# via starlette
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# via
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@@ -30,9 +30,9 @@ bcrypt==4.1.2
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# via paramiko
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blinker==1.7.0
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# via flask
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boto3==1.34.
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boto3==1.34.49
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# via maggma
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botocore==1.34.
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botocore==1.34.49
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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==42.0.
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cryptography==42.0.5
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# via paramiko
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cycler==0.12.1
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# via matplotlib
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dgl==1.1.3
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# via matgl
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dnspython==2.
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dnspython==2.6.1
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# via
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# maggma
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# pymongo
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@@ -69,7 +69,7 @@ emmet-core[all,ml]==0.77.1
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# via emmet-builders (setup.py)
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exceptiongroup==1.2.0
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# via anyio
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fastapi==0.
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fastapi==0.110.0
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# via maggma
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filelock==3.13.1
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# via
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# triton
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fonttools==4.
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frozenlist==1.4.1
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# uncertainties
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maggma==0.63.
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maggma==0.63.3
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markupsafe==2.1.5
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# via
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phonopy==2.21.
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# pytorch-lightning
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triton==2.2.0
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# via torch
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typing-extensions==4.
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typing-extensions==4.10.0
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# via
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# anyio
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# emmet-core
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{emmet-builders-0.78.0rc4 → emmet-builders-0.78.2}/requirements/ubuntu-latest_py3.10_extras.txt
RENAMED
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@@ -12,7 +12,7 @@ aiosignal==1.3.1
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# via aiohttp
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annotated-types==0.6.0
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# via pydantic
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anyio==4.
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+
anyio==4.3.0
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# via starlette
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ase==3.22.1
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# via
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@@ -30,9 +30,9 @@ bcrypt==4.1.2
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# via paramiko
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blinker==1.7.0
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# via flask
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boto3==1.34.
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boto3==1.34.49
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# via maggma
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botocore==1.34.
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botocore==1.34.49
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# boto3
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# s3transfer
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@@ -61,11 +61,9 @@ colorama==0.4.6
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# via griffe
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contourpy==1.2.0
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# via matplotlib
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coverage[toml]==7.4.
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# via
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# pytest-cov
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cryptography==42.0.2
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coverage[toml]==7.4.3
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# via pytest-cov
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cryptography==42.0.5
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# via paramiko
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csscompressor==0.9.5
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# via mkdocs-minify-plugin
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@@ -77,7 +75,7 @@ dgl==1.1.3
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# via matgl
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distlib==0.3.8
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# via virtualenv
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dnspython==2.
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dnspython==2.6.1
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# via
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# maggma
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# pymongo
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@@ -87,7 +85,7 @@ exceptiongroup==1.2.0
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# via
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# anyio
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# pytest
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fastapi==0.
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fastapi==0.110.0
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# via maggma
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filelock==3.13.1
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# via
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@@ -98,7 +96,7 @@ flake8==7.0.0
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# via emmet-builders (setup.py)
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flask==3.0.2
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# via mongogrant
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fonttools==4.
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fonttools==4.49.0
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# via matplotlib
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frozenlist==1.4.1
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# via
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@@ -108,7 +106,7 @@ fsspec[http]==2024.2.0
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future==1.0.0
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# matminer
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# uncertainties
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@@ -122,7 +120,7 @@ h5py==3.10.0
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# via phonopy
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htmlmin2==0.1.13
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# via mkdocs-minify-plugin
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identify==2.5.
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identify==2.5.35
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# via pre-commit
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idna==3.6
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# via
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@@ -169,7 +167,7 @@ lightning-utilities==0.10.1
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# via emmet-builders (setup.py)
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maggma==0.63.
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maggma==0.63.3
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# via emmet-builders (setup.py)
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markdown==3.5.2
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# via
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@@ -319,7 +317,7 @@ nvidia-nvjitlink-cu12==12.3.101
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# via torch
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orjson==3.9.
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orjson==3.9.15
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# via maggma
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packaging==23.2
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# via
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@@ -341,7 +339,7 @@ paramiko==3.4.0
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# via sshtunnel
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pathspec==0.12.1
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# via mkdocs
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phonopy==2.21.
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phonopy==2.21.2
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# via matcalc
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pillow==10.2.0
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# via matplotlib
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@@ -354,7 +352,7 @@ plotly==5.19.0
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# via pymatgen
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pluggy==1.4.0
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# via pytest
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pre-commit==3.6.
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+
pre-commit==3.6.2
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# via emmet-builders (setup.py)
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psutil==5.9.8
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# via dgl
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@@ -371,16 +369,16 @@ pycodestyle==2.11.1
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# flake8
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pycparser==2.21
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# via cffi
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-
pydantic==2.6.
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+
pydantic==2.6.2
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# via
|
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# emmet-core
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# fastapi
|
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# inflect
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# maggma
|
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# pydantic-settings
|
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pydantic-core==2.16.
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+
pydantic-core==2.16.3
|
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# via pydantic
|
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-
pydantic-settings==2.1
|
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+
pydantic-settings==2.2.1
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# via
|
|
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# emmet-core
|
|
386
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|
# maggma
|
|
@@ -392,7 +390,7 @@ pyflakes==3.2.0
|
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# via flake8
|
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pygments==2.17.2
|
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# via mkdocs-material
|
|
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|
-
pymatgen==2024.2.
|
|
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+
pymatgen==2024.2.23
|
|
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|
# via
|
|
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# chgnet
|
|
398
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# emmet-core
|
|
@@ -410,7 +408,7 @@ pymdown-extensions==10.7
|
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|
# via
|
|
411
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|
# mkdocs-material
|
|
412
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|
# mkdocstrings
|
|
413
|
-
pymongo==4.6.
|
|
411
|
+
pymongo==4.6.2
|
|
414
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|
# via
|
|
415
413
|
# maggma
|
|
416
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|
# matminer
|
|
@@ -419,7 +417,7 @@ pynacl==1.5.0
|
|
|
419
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|
# via paramiko
|
|
420
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|
pyparsing==3.1.1
|
|
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|
# via matplotlib
|
|
422
|
-
pytest==8.0.
|
|
420
|
+
pytest==8.0.2
|
|
423
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|
# via
|
|
424
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|
# emmet-builders (setup.py)
|
|
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|
# pytest-cov
|
|
@@ -477,7 +475,7 @@ ruamel-yaml-clib==0.2.8
|
|
|
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|
# via ruamel-yaml
|
|
478
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|
s3transfer==0.10.0
|
|
479
477
|
# via boto3
|
|
480
|
-
scikit-learn==1.4.
|
|
478
|
+
scikit-learn==1.4.1.post1
|
|
481
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|
# via matminer
|
|
482
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|
scipy==1.12.0
|
|
483
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|
# via
|
|
@@ -490,7 +488,7 @@ seekpath==2.1.0
|
|
|
490
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|
# via emmet-core
|
|
491
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|
sentinels==1.0.0
|
|
492
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|
# via mongomock
|
|
493
|
-
shapely==2.0.
|
|
491
|
+
shapely==2.0.3
|
|
494
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|
# via pymatgen-analysis-alloys
|
|
495
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|
six==1.16.0
|
|
496
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|
# via
|
|
@@ -498,7 +496,7 @@ six==1.16.0
|
|
|
498
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|
# livereload
|
|
499
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|
# pybtex
|
|
500
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|
# python-dateutil
|
|
501
|
-
sniffio==1.3.
|
|
499
|
+
sniffio==1.3.1
|
|
502
500
|
# via anyio
|
|
503
501
|
snowballstemmer==2.2.0
|
|
504
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|
# via pydocstyle
|
|
@@ -528,7 +526,7 @@ tomli==2.0.1
|
|
|
528
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|
# coverage
|
|
529
527
|
# mypy
|
|
530
528
|
# pytest
|
|
531
|
-
torch==2.2.
|
|
529
|
+
torch==2.2.1
|
|
532
530
|
# via
|
|
533
531
|
# chgnet
|
|
534
532
|
# matgl
|
|
@@ -547,11 +545,11 @@ tqdm==4.66.2
|
|
|
547
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|
# pytorch-lightning
|
|
548
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|
triton==2.2.0
|
|
549
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|
# via torch
|
|
550
|
-
types-requests==2.31.0.
|
|
548
|
+
types-requests==2.31.0.20240218
|
|
551
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|
# via emmet-builders (setup.py)
|
|
552
|
-
types-setuptools==69.1.0.
|
|
550
|
+
types-setuptools==69.1.0.20240223
|
|
553
551
|
# via emmet-builders (setup.py)
|
|
554
|
-
typing-extensions==4.
|
|
552
|
+
typing-extensions==4.10.0
|
|
555
553
|
# via
|
|
556
554
|
# anyio
|
|
557
555
|
# emmet-core
|
|
@@ -574,11 +572,11 @@ urllib3==2.0.7
|
|
|
574
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|
# types-requests
|
|
575
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|
uvicorn==0.27.1
|
|
576
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|
# via maggma
|
|
577
|
-
virtualenv==20.25.
|
|
575
|
+
virtualenv==20.25.1
|
|
578
576
|
# via pre-commit
|
|
579
577
|
watchdog==4.0.0
|
|
580
578
|
# via mkdocs
|
|
581
|
-
wcmatch==8.5
|
|
579
|
+
wcmatch==8.5.1
|
|
582
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|
# via mkdocs-awesome-pages-plugin
|
|
583
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|
werkzeug==3.0.1
|
|
584
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|
# via flask
|
|
@@ -12,7 +12,7 @@ aiosignal==1.3.1
|
|
|
12
12
|
# via aiohttp
|
|
13
13
|
annotated-types==0.6.0
|
|
14
14
|
# via pydantic
|
|
15
|
-
anyio==4.
|
|
15
|
+
anyio==4.3.0
|
|
16
16
|
# via starlette
|
|
17
17
|
ase==3.22.1
|
|
18
18
|
# via
|
|
@@ -28,9 +28,9 @@ bcrypt==4.1.2
|
|
|
28
28
|
# via paramiko
|
|
29
29
|
blinker==1.7.0
|
|
30
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|
# via flask
|
|
31
|
-
boto3==1.34.
|
|
31
|
+
boto3==1.34.49
|
|
32
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|
# via maggma
|
|
33
|
-
botocore==1.34.
|
|
33
|
+
botocore==1.34.49
|
|
34
34
|
# via
|
|
35
35
|
# boto3
|
|
36
36
|
# s3transfer
|
|
@@ -51,7 +51,7 @@ click==8.1.7
|
|
|
51
51
|
# uvicorn
|
|
52
52
|
contourpy==1.2.0
|
|
53
53
|
# via matplotlib
|
|
54
|
-
cryptography==42.0.
|
|
54
|
+
cryptography==42.0.5
|
|
55
55
|
# via paramiko
|
|
56
56
|
cycler==0.12.1
|
|
57
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|
# via matplotlib
|
|
@@ -59,13 +59,13 @@ cython==3.0.8
|
|
|
59
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|
# via chgnet
|
|
60
60
|
dgl==1.1.3
|
|
61
61
|
# via matgl
|
|
62
|
-
dnspython==2.
|
|
62
|
+
dnspython==2.6.1
|
|
63
63
|
# via
|
|
64
64
|
# maggma
|
|
65
65
|
# pymongo
|
|
66
66
|
emmet-core[all,ml]==0.77.1
|
|
67
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|
# via emmet-builders (setup.py)
|
|
68
|
-
fastapi==0.
|
|
68
|
+
fastapi==0.110.0
|
|
69
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|
# via maggma
|
|
70
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|
filelock==3.13.1
|
|
71
71
|
# via
|
|
@@ -73,7 +73,7 @@ filelock==3.13.1
|
|
|
73
73
|
# triton
|
|
74
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|
flask==3.0.2
|
|
75
75
|
# via mongogrant
|
|
76
|
-
fonttools==4.
|
|
76
|
+
fonttools==4.49.0
|
|
77
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|
# via matplotlib
|
|
78
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|
frozenlist==1.4.1
|
|
79
79
|
# via
|
|
@@ -83,7 +83,7 @@ fsspec[http]==2024.2.0
|
|
|
83
83
|
# via
|
|
84
84
|
# pytorch-lightning
|
|
85
85
|
# torch
|
|
86
|
-
future==0.
|
|
86
|
+
future==1.0.0
|
|
87
87
|
# via
|
|
88
88
|
# matminer
|
|
89
89
|
# uncertainties
|
|
@@ -126,7 +126,7 @@ lightning-utilities==0.10.1
|
|
|
126
126
|
# via
|
|
127
127
|
# pytorch-lightning
|
|
128
128
|
# torchmetrics
|
|
129
|
-
maggma==0.63.
|
|
129
|
+
maggma==0.63.3
|
|
130
130
|
# via emmet-builders (setup.py)
|
|
131
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|
markupsafe==2.1.5
|
|
132
132
|
# via
|
|
@@ -224,7 +224,7 @@ nvidia-nvjitlink-cu12==12.3.101
|
|
|
224
224
|
# nvidia-cusparse-cu12
|
|
225
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|
nvidia-nvtx-cu12==12.1.105
|
|
226
226
|
# via torch
|
|
227
|
-
orjson==3.9.
|
|
227
|
+
orjson==3.9.15
|
|
228
228
|
# via maggma
|
|
229
229
|
packaging==23.2
|
|
230
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|
# via
|
|
@@ -242,7 +242,7 @@ pandas==1.5.3
|
|
|
242
242
|
# pymatgen
|
|
243
243
|
paramiko==3.4.0
|
|
244
244
|
# via sshtunnel
|
|
245
|
-
phonopy==2.21.
|
|
245
|
+
phonopy==2.21.2
|
|
246
246
|
# via matcalc
|
|
247
247
|
pillow==10.2.0
|
|
248
248
|
# via matplotlib
|
|
@@ -259,22 +259,22 @@ pybtex==0.24.0
|
|
|
259
259
|
# robocrys
|
|
260
260
|
pycparser==2.21
|
|
261
261
|
# via cffi
|
|
262
|
-
pydantic==2.6.
|
|
262
|
+
pydantic==2.6.2
|
|
263
263
|
# via
|
|
264
264
|
# emmet-core
|
|
265
265
|
# fastapi
|
|
266
266
|
# inflect
|
|
267
267
|
# maggma
|
|
268
268
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# pydantic-settings
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269
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-
pydantic-core==2.16.
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269
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+
pydantic-core==2.16.3
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# via pydantic
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271
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-
pydantic-settings==2.1
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271
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+
pydantic-settings==2.2.1
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# via
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# emmet-core
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274
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# maggma
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pydash==7.0.7
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# via maggma
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277
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-
pymatgen==2024.2.
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277
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+
pymatgen==2024.2.23
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# via
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# chgnet
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# emmet-core
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@@ -288,7 +288,7 @@ 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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291
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-
pymongo==4.6.
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291
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+
pymongo==4.6.2
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292
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# via
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293
293
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# maggma
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294
294
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# matminer
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@@ -341,7 +341,7 @@ ruamel-yaml-clib==0.2.8
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# via ruamel-yaml
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s3transfer==0.10.0
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343
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# via boto3
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344
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-
scikit-learn==1.4.
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344
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+
scikit-learn==1.4.1.post1
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345
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# via matminer
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346
346
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scipy==1.12.0
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347
347
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# via
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@@ -354,14 +354,14 @@ seekpath==2.1.0
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354
354
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# via emmet-core
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355
355
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sentinels==1.0.0
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356
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# via mongomock
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357
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-
shapely==2.0.
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357
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+
shapely==2.0.3
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358
358
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# via pymatgen-analysis-alloys
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359
359
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six==1.16.0
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360
360
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# via
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361
361
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# latexcodec
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362
362
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# pybtex
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363
363
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# python-dateutil
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|
364
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-
sniffio==1.3.
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|
364
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+
sniffio==1.3.1
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|
365
365
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# via anyio
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|
366
366
|
spglib==2.3.1
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|
367
367
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# via
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|
@@ -384,7 +384,7 @@ tenacity==8.2.3
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|
384
384
|
# via plotly
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|
385
385
|
threadpoolctl==3.3.0
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|
386
386
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# via scikit-learn
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|
387
|
-
torch==2.2.
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|
387
|
+
torch==2.2.1
|
|
388
388
|
# via
|
|
389
389
|
# chgnet
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|
390
390
|
# matgl
|
|
@@ -401,7 +401,7 @@ tqdm==4.66.2
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|
401
401
|
# pytorch-lightning
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|
402
402
|
triton==2.2.0
|
|
403
403
|
# via torch
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|
404
|
-
typing-extensions==4.
|
|
404
|
+
typing-extensions==4.10.0
|
|
405
405
|
# via
|
|
406
406
|
# emmet-core
|
|
407
407
|
# fastapi
|