emmet-builders 0.84.6rc5__tar.gz → 0.84.6rc6__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-0.84.6rc5/emmet_builders.egg-info → emmet_builders-0.84.6rc6}/PKG-INFO +1 -1
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6/emmet_builders.egg-info}/PKG-INFO +1 -1
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/requirements/ubuntu-latest_py3.10.txt +14 -14
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/requirements/ubuntu-latest_py3.10_extras.txt +27 -27
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/requirements/ubuntu-latest_py3.11.txt +14 -14
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/requirements/ubuntu-latest_py3.11_extras.txt +27 -27
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/MANIFEST.in +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/abinit/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/abinit/phonon.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/feff/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/feff/xas.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/alloys.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/bonds.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/chemenv.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/dielectric.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/elasticity.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/electrodes.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/magnetism.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/ml.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/optimade.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/provenance.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/robocrys.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/similarity.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/substrates.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/summary.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/thermo.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/mobility/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/atomic.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/bonds.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/electric.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/redox.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/summary.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/thermo.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/trajectory.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/vibration.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/qchem/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/qchem/molecules.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/settings.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/utils.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/vasp/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/vasp/materials.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/requirements/deployment.txt +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/setup.cfg +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/setup.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/conftest.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/__init__.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_atomic.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_bonds.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_electric.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_metal_binding.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_orbitals.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_redox.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_summary.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_thermo.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_trajectory.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/molecules/test_vibration.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_absorption.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_basic_descriptors.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_chemenv.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_dielectric.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_elasticity.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_electronic_structure.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_magnetism.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_materials.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_ml.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_mobility.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_oxidation.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_piezoelectric.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_qchem.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_similarity.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_summary.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_utils.py +0 -0
- {emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_vasp.py +0 -0
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@@ -17,11 +17,11 @@ attrs==25.1.0
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# jsonlines
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# jsonschema
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# referencing
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bcrypt==4.
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bcrypt==4.3.0
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# via paramiko
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boto3==1.
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boto3==1.37.8
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# via maggma
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botocore==1.
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botocore==1.37.8
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# via
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# boto3
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# s3transfer
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# via requests
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contourpy==1.3.1
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# via matplotlib
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cryptography==44.0.
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cryptography==44.0.2
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# via paramiko
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cycler==0.12.1
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# via matplotlib
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# via
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# emmet-builders (setup.py)
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# robocrys
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matplotlib==3.10.
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matplotlib==3.10.1
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# via
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# ase
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# mdanalysis
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# via maggma
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monty==2025.
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# via
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# maggma
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# via inflect
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mp-api==0.45.
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mp-api==0.45.3
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# via
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{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/requirements/ubuntu-latest_py3.10_extras.txt
RENAMED
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cryptography==44.0.2
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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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@@ -105,13 +105,13 @@ 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==1.
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+
griffe==1.6.0
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# via mkdocstrings-python
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h5py==3.13.0
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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==2.6.
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+
identify==2.6.8
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# via pre-commit
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idna==3.10
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# via
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@@ -123,7 +123,7 @@ inflect==7.5.0
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# via robocrys
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iniconfig==2.0.0
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# via pytest
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-
jinja2==3.1.
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+
jinja2==3.1.6
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# via
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# emmet-builders (setup.py)
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# mkdocs
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@@ -157,7 +157,7 @@ lazy-loader==0.4
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# via scikit-image
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lightning==2.5.0.post0
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# via matgl
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lightning-utilities==0.
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+
lightning-utilities==0.13.1
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# via
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# lightning
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# pytorch-lightning
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@@ -189,7 +189,7 @@ matminer==0.9.3
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# via
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# emmet-builders (setup.py)
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# robocrys
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-
matplotlib==3.10.
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+
matplotlib==3.10.1
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# via
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# ase
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# mdanalysis
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@@ -226,7 +226,7 @@ mkdocs==1.6.1
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# mkdocs-material
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# mkdocs-minify-plugin
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# mkdocstrings
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-
mkdocs-autorefs==1.
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+
mkdocs-autorefs==1.4.0
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# via
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# mkdocstrings
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# mkdocstrings-python
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@@ -246,17 +246,17 @@ mkdocs-material-extensions==1.3.1
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# mkdocs-material
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# via emmet-builders (setup.py)
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-
mkdocstrings[python]==0.28.
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+
mkdocstrings[python]==0.28.2
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# via
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# emmet-builders (setup.py)
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# mkdocstrings-python
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-
mkdocstrings-python==1.16.
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+
mkdocstrings-python==1.16.2
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# via mkdocstrings
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mmtf-python==1.1.3
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# via mdanalysis
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mongomock==4.3.0
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# via maggma
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-
monty==2025.
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+
monty==2025.3.3
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# via
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# emmet-core
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# maggma
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|
@@ -266,7 +266,7 @@ monty==2025.1.9
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# robocrys
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more-itertools==10.6.0
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# via inflect
|
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-
mp-api==0.45.
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+
mp-api==0.45.3
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# via robocrys
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mp-pyrho==0.4.5
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# via pymatgen-analysis-defects
|
|
@@ -289,7 +289,7 @@ mypy-extensions==1.0.0
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# via
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# emmet-builders (setup.py)
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|
# mypy
|
|
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|
-
narwhals==1.
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+
narwhals==1.29.1
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# via plotly
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natsort==8.4.0
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# via mkdocs-awesome-pages-plugin
|
|
@@ -412,7 +412,7 @@ pathspec==0.12.1
|
|
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|
# via mkdocs
|
|
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|
patsy==1.0.1
|
|
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|
# via statsmodels
|
|
415
|
-
phonopy==2.
|
|
415
|
+
phonopy==2.38.0
|
|
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|
# via matcalc
|
|
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|
pillow==11.1.0
|
|
418
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|
# via
|
|
@@ -459,7 +459,7 @@ pydantic==2.10.6
|
|
|
459
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|
# pydantic-settings
|
|
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|
pydantic-core==2.27.2
|
|
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|
# via pydantic
|
|
462
|
-
pydantic-settings==2.
|
|
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|
+
pydantic-settings==2.8.1
|
|
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|
# via
|
|
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|
# emmet-core
|
|
465
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|
# maggma
|
|
@@ -502,7 +502,7 @@ pynacl==1.5.0
|
|
|
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|
# via paramiko
|
|
503
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|
pyparsing==3.2.1
|
|
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|
# via matplotlib
|
|
505
|
-
pytest==8.3.
|
|
505
|
+
pytest==8.3.5
|
|
506
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|
# via
|
|
507
507
|
# emmet-builders (setup.py)
|
|
508
508
|
# pytest-cov
|
|
@@ -555,7 +555,7 @@ requests==2.32.3
|
|
|
555
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|
# torchdata
|
|
556
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|
robocrys==0.2.10
|
|
557
557
|
# via emmet-core
|
|
558
|
-
rpds-py==0.23.
|
|
558
|
+
rpds-py==0.23.1
|
|
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|
# via
|
|
560
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|
# jsonschema
|
|
561
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|
# referencing
|
|
@@ -567,7 +567,7 @@ ruamel-yaml==0.18.10
|
|
|
567
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|
# robocrys
|
|
568
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|
ruamel-yaml-clib==0.2.12
|
|
569
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|
# via ruamel-yaml
|
|
570
|
-
s3transfer==0.11.
|
|
570
|
+
s3transfer==0.11.4
|
|
571
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|
# via boto3
|
|
572
572
|
scikit-image==0.25.2
|
|
573
573
|
# via pymatgen-analysis-defects
|
|
@@ -618,7 +618,7 @@ sshtunnel==0.4.0
|
|
|
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|
# via maggma
|
|
619
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|
statsmodels==0.14.4
|
|
620
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|
# via solvation-analysis
|
|
621
|
-
symfc==1.3.
|
|
621
|
+
symfc==1.3.4
|
|
622
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|
# via phonopy
|
|
623
623
|
sympy==1.13.1
|
|
624
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|
# via
|
|
@@ -652,7 +652,7 @@ torchdata==0.7.1
|
|
|
652
652
|
# via
|
|
653
653
|
# dgl
|
|
654
654
|
# matgl
|
|
655
|
-
torchmetrics==1.6.
|
|
655
|
+
torchmetrics==1.6.2
|
|
656
656
|
# via
|
|
657
657
|
# lightning
|
|
658
658
|
# pytorch-lightning
|
|
@@ -673,9 +673,9 @@ triton==3.2.0
|
|
|
673
673
|
# via torch
|
|
674
674
|
typeguard==4.4.2
|
|
675
675
|
# via inflect
|
|
676
|
-
types-requests==2.32.0.
|
|
676
|
+
types-requests==2.32.0.20250306
|
|
677
677
|
# via emmet-builders (setup.py)
|
|
678
|
-
types-setuptools==75.8.
|
|
678
|
+
types-setuptools==75.8.2.20250305
|
|
679
679
|
# via emmet-builders (setup.py)
|
|
680
680
|
typing-extensions==4.12.2
|
|
681
681
|
# via
|
|
@@ -704,7 +704,7 @@ urllib3==2.3.0
|
|
|
704
704
|
# requests
|
|
705
705
|
# torchdata
|
|
706
706
|
# types-requests
|
|
707
|
-
virtualenv==20.29.
|
|
707
|
+
virtualenv==20.29.3
|
|
708
708
|
# via pre-commit
|
|
709
709
|
watchdog==6.0.0
|
|
710
710
|
# via mkdocs
|
|
@@ -17,11 +17,11 @@ attrs==25.1.0
|
|
|
17
17
|
# jsonlines
|
|
18
18
|
# jsonschema
|
|
19
19
|
# referencing
|
|
20
|
-
bcrypt==4.
|
|
20
|
+
bcrypt==4.3.0
|
|
21
21
|
# via paramiko
|
|
22
|
-
boto3==1.
|
|
22
|
+
boto3==1.37.8
|
|
23
23
|
# via maggma
|
|
24
|
-
botocore==1.
|
|
24
|
+
botocore==1.37.8
|
|
25
25
|
# via
|
|
26
26
|
# boto3
|
|
27
27
|
# s3transfer
|
|
@@ -35,7 +35,7 @@ charset-normalizer==3.4.1
|
|
|
35
35
|
# via requests
|
|
36
36
|
contourpy==1.3.1
|
|
37
37
|
# via matplotlib
|
|
38
|
-
cryptography==44.0.
|
|
38
|
+
cryptography==44.0.2
|
|
39
39
|
# via paramiko
|
|
40
40
|
cycler==0.12.1
|
|
41
41
|
# via matplotlib
|
|
@@ -96,7 +96,7 @@ matminer==0.9.3
|
|
|
96
96
|
# via
|
|
97
97
|
# emmet-builders (setup.py)
|
|
98
98
|
# robocrys
|
|
99
|
-
matplotlib==3.10.
|
|
99
|
+
matplotlib==3.10.1
|
|
100
100
|
# via
|
|
101
101
|
# ase
|
|
102
102
|
# mdanalysis
|
|
@@ -121,7 +121,7 @@ mmtf-python==1.1.3
|
|
|
121
121
|
# via mdanalysis
|
|
122
122
|
mongomock==4.3.0
|
|
123
123
|
# via maggma
|
|
124
|
-
monty==2025.
|
|
124
|
+
monty==2025.3.3
|
|
125
125
|
# via
|
|
126
126
|
# emmet-core
|
|
127
127
|
# maggma
|
|
@@ -131,7 +131,7 @@ monty==2025.1.9
|
|
|
131
131
|
# robocrys
|
|
132
132
|
more-itertools==10.6.0
|
|
133
133
|
# via inflect
|
|
134
|
-
mp-api==0.45.
|
|
134
|
+
mp-api==0.45.3
|
|
135
135
|
# via robocrys
|
|
136
136
|
mp-pyrho==0.4.5
|
|
137
137
|
# via pymatgen-analysis-defects
|
|
@@ -144,7 +144,7 @@ msgpack==1.1.0
|
|
|
144
144
|
# maggma
|
|
145
145
|
# mmtf-python
|
|
146
146
|
# mp-api
|
|
147
|
-
narwhals==1.
|
|
147
|
+
narwhals==1.29.1
|
|
148
148
|
# via plotly
|
|
149
149
|
networkx==3.4.2
|
|
150
150
|
# via
|
|
@@ -214,7 +214,7 @@ pathsimanalysis==1.2.0
|
|
|
214
214
|
# via mdanalysis
|
|
215
215
|
patsy==1.0.1
|
|
216
216
|
# via statsmodels
|
|
217
|
-
phonopy==2.
|
|
217
|
+
phonopy==2.38.0
|
|
218
218
|
# via matcalc
|
|
219
219
|
pillow==11.1.0
|
|
220
220
|
# via
|
|
@@ -244,7 +244,7 @@ pydantic==2.10.6
|
|
|
244
244
|
# pydantic-settings
|
|
245
245
|
pydantic-core==2.27.2
|
|
246
246
|
# via pydantic
|
|
247
|
-
pydantic-settings==2.
|
|
247
|
+
pydantic-settings==2.8.1
|
|
248
248
|
# via
|
|
249
249
|
# emmet-core
|
|
250
250
|
# maggma
|
|
@@ -275,7 +275,7 @@ pynacl==1.5.0
|
|
|
275
275
|
# via paramiko
|
|
276
276
|
pyparsing==3.2.1
|
|
277
277
|
# via matplotlib
|
|
278
|
-
pytest==8.3.
|
|
278
|
+
pytest==8.3.5
|
|
279
279
|
# via solvation-analysis
|
|
280
280
|
python-dateutil==2.9.0.post0
|
|
281
281
|
# via
|
|
@@ -308,7 +308,7 @@ requests==2.32.3
|
|
|
308
308
|
# pymatgen
|
|
309
309
|
robocrys==0.2.10
|
|
310
310
|
# via emmet-core
|
|
311
|
-
rpds-py==0.23.
|
|
311
|
+
rpds-py==0.23.1
|
|
312
312
|
# via
|
|
313
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|
# jsonschema
|
|
314
314
|
# referencing
|
|
@@ -320,7 +320,7 @@ ruamel-yaml==0.18.10
|
|
|
320
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|
# robocrys
|
|
321
321
|
ruamel-yaml-clib==0.2.12
|
|
322
322
|
# via ruamel-yaml
|
|
323
|
-
s3transfer==0.11.
|
|
323
|
+
s3transfer==0.11.4
|
|
324
324
|
# via boto3
|
|
325
325
|
scikit-image==0.25.2
|
|
326
326
|
# via pymatgen-analysis-defects
|
|
@@ -368,7 +368,7 @@ sshtunnel==0.4.0
|
|
|
368
368
|
# via maggma
|
|
369
369
|
statsmodels==0.14.4
|
|
370
370
|
# via solvation-analysis
|
|
371
|
-
symfc==1.3.
|
|
371
|
+
symfc==1.3.4
|
|
372
372
|
# via phonopy
|
|
373
373
|
sympy==1.13.3
|
|
374
374
|
# via
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/requirements/ubuntu-latest_py3.11_extras.txt
RENAMED
|
@@ -4,9 +4,9 @@
|
|
|
4
4
|
#
|
|
5
5
|
# pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.11_extras.txt
|
|
6
6
|
#
|
|
7
|
-
aiohappyeyeballs==2.
|
|
7
|
+
aiohappyeyeballs==2.5.0
|
|
8
8
|
# via aiohttp
|
|
9
|
-
aiohttp==3.11.
|
|
9
|
+
aiohttp==3.11.13
|
|
10
10
|
# via fsspec
|
|
11
11
|
aioitertools==0.12.0
|
|
12
12
|
# via maggma
|
|
@@ -26,11 +26,11 @@ attrs==25.1.0
|
|
|
26
26
|
# jsonlines
|
|
27
27
|
# jsonschema
|
|
28
28
|
# referencing
|
|
29
|
-
bcrypt==4.
|
|
29
|
+
bcrypt==4.3.0
|
|
30
30
|
# via paramiko
|
|
31
|
-
boto3==1.
|
|
31
|
+
boto3==1.37.8
|
|
32
32
|
# via maggma
|
|
33
|
-
botocore==1.
|
|
33
|
+
botocore==1.37.8
|
|
34
34
|
# via
|
|
35
35
|
# boto3
|
|
36
36
|
# s3transfer
|
|
@@ -56,7 +56,7 @@ contourpy==1.3.1
|
|
|
56
56
|
# via matplotlib
|
|
57
57
|
coverage[toml]==7.6.12
|
|
58
58
|
# via pytest-cov
|
|
59
|
-
cryptography==44.0.
|
|
59
|
+
cryptography==44.0.2
|
|
60
60
|
# via paramiko
|
|
61
61
|
csscompressor==0.9.5
|
|
62
62
|
# via mkdocs-minify-plugin
|
|
@@ -101,13 +101,13 @@ ghp-import==2.1.0
|
|
|
101
101
|
# via mkdocs
|
|
102
102
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griddataformats==1.0.2
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|
103
103
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# via mdanalysis
|
|
104
|
-
griffe==1.
|
|
104
|
+
griffe==1.6.0
|
|
105
105
|
# via mkdocstrings-python
|
|
106
106
|
h5py==3.13.0
|
|
107
107
|
# via phonopy
|
|
108
108
|
htmlmin2==0.1.13
|
|
109
109
|
# via mkdocs-minify-plugin
|
|
110
|
-
identify==2.6.
|
|
110
|
+
identify==2.6.8
|
|
111
111
|
# via pre-commit
|
|
112
112
|
idna==3.10
|
|
113
113
|
# via
|
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@@ -119,7 +119,7 @@ inflect==7.5.0
|
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119
119
|
# via robocrys
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120
120
|
iniconfig==2.0.0
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121
121
|
# via pytest
|
|
122
|
-
jinja2==3.1.
|
|
122
|
+
jinja2==3.1.6
|
|
123
123
|
# via
|
|
124
124
|
# emmet-builders (setup.py)
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|
125
125
|
# mkdocs
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@@ -153,7 +153,7 @@ lazy-loader==0.4
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153
153
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# via scikit-image
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154
154
|
lightning==2.5.0.post0
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155
155
|
# via matgl
|
|
156
|
-
lightning-utilities==0.
|
|
156
|
+
lightning-utilities==0.13.1
|
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157
157
|
# via
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158
158
|
# lightning
|
|
159
159
|
# pytorch-lightning
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@@ -185,7 +185,7 @@ matminer==0.9.3
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185
185
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# via
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186
186
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# emmet-builders (setup.py)
|
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187
187
|
# robocrys
|
|
188
|
-
matplotlib==3.10.
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188
|
+
matplotlib==3.10.1
|
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189
189
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# via
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190
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# ase
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191
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# mdanalysis
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@@ -222,7 +222,7 @@ mkdocs==1.6.1
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222
222
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# mkdocs-material
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223
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# mkdocs-minify-plugin
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224
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# mkdocstrings
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225
|
-
mkdocs-autorefs==1.
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|
225
|
+
mkdocs-autorefs==1.4.0
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226
226
|
# via
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227
227
|
# mkdocstrings
|
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228
228
|
# mkdocstrings-python
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@@ -242,17 +242,17 @@ mkdocs-material-extensions==1.3.1
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# mkdocs-material
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mkdocs-minify-plugin==0.8.0
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244
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# via emmet-builders (setup.py)
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245
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-
mkdocstrings[python]==0.28.
|
|
245
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+
mkdocstrings[python]==0.28.2
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246
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|
# via
|
|
247
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# emmet-builders (setup.py)
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248
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|
# mkdocstrings-python
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249
|
-
mkdocstrings-python==1.16.
|
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249
|
+
mkdocstrings-python==1.16.2
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250
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|
# via mkdocstrings
|
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251
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|
mmtf-python==1.1.3
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252
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|
# via mdanalysis
|
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253
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mongomock==4.3.0
|
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254
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|
# via maggma
|
|
255
|
-
monty==2025.
|
|
255
|
+
monty==2025.3.3
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256
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# via
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257
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# emmet-core
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258
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# maggma
|
|
@@ -262,7 +262,7 @@ monty==2025.1.9
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262
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# robocrys
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more-itertools==10.6.0
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264
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|
# via inflect
|
|
265
|
-
mp-api==0.45.
|
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265
|
+
mp-api==0.45.3
|
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266
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|
# via robocrys
|
|
267
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|
mp-pyrho==0.4.5
|
|
268
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|
# via pymatgen-analysis-defects
|
|
@@ -285,7 +285,7 @@ mypy-extensions==1.0.0
|
|
|
285
285
|
# via
|
|
286
286
|
# emmet-builders (setup.py)
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|
287
287
|
# mypy
|
|
288
|
-
narwhals==1.
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|
288
|
+
narwhals==1.29.1
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# via plotly
|
|
290
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|
natsort==8.4.0
|
|
291
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|
# via mkdocs-awesome-pages-plugin
|
|
@@ -408,7 +408,7 @@ pathspec==0.12.1
|
|
|
408
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|
# via mkdocs
|
|
409
409
|
patsy==1.0.1
|
|
410
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|
# via statsmodels
|
|
411
|
-
phonopy==2.
|
|
411
|
+
phonopy==2.38.0
|
|
412
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|
# via matcalc
|
|
413
413
|
pillow==11.1.0
|
|
414
414
|
# via
|
|
@@ -455,7 +455,7 @@ pydantic==2.10.6
|
|
|
455
455
|
# pydantic-settings
|
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456
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|
pydantic-core==2.27.2
|
|
457
457
|
# via pydantic
|
|
458
|
-
pydantic-settings==2.
|
|
458
|
+
pydantic-settings==2.8.1
|
|
459
459
|
# via
|
|
460
460
|
# emmet-core
|
|
461
461
|
# maggma
|
|
@@ -498,7 +498,7 @@ pynacl==1.5.0
|
|
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498
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|
# via paramiko
|
|
499
499
|
pyparsing==3.2.1
|
|
500
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|
# via matplotlib
|
|
501
|
-
pytest==8.3.
|
|
501
|
+
pytest==8.3.5
|
|
502
502
|
# via
|
|
503
503
|
# emmet-builders (setup.py)
|
|
504
504
|
# pytest-cov
|
|
@@ -551,7 +551,7 @@ requests==2.32.3
|
|
|
551
551
|
# torchdata
|
|
552
552
|
robocrys==0.2.10
|
|
553
553
|
# via emmet-core
|
|
554
|
-
rpds-py==0.23.
|
|
554
|
+
rpds-py==0.23.1
|
|
555
555
|
# via
|
|
556
556
|
# jsonschema
|
|
557
557
|
# referencing
|
|
@@ -563,7 +563,7 @@ ruamel-yaml==0.18.10
|
|
|
563
563
|
# robocrys
|
|
564
564
|
ruamel-yaml-clib==0.2.12
|
|
565
565
|
# via ruamel-yaml
|
|
566
|
-
s3transfer==0.11.
|
|
566
|
+
s3transfer==0.11.4
|
|
567
567
|
# via boto3
|
|
568
568
|
scikit-image==0.25.2
|
|
569
569
|
# via pymatgen-analysis-defects
|
|
@@ -614,7 +614,7 @@ sshtunnel==0.4.0
|
|
|
614
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|
# via maggma
|
|
615
615
|
statsmodels==0.14.4
|
|
616
616
|
# via solvation-analysis
|
|
617
|
-
symfc==1.3.
|
|
617
|
+
symfc==1.3.4
|
|
618
618
|
# via phonopy
|
|
619
619
|
sympy==1.13.1
|
|
620
620
|
# via
|
|
@@ -643,7 +643,7 @@ torchdata==0.7.1
|
|
|
643
643
|
# via
|
|
644
644
|
# dgl
|
|
645
645
|
# matgl
|
|
646
|
-
torchmetrics==1.6.
|
|
646
|
+
torchmetrics==1.6.2
|
|
647
647
|
# via
|
|
648
648
|
# lightning
|
|
649
649
|
# pytorch-lightning
|
|
@@ -664,9 +664,9 @@ triton==3.2.0
|
|
|
664
664
|
# via torch
|
|
665
665
|
typeguard==4.4.2
|
|
666
666
|
# via inflect
|
|
667
|
-
types-requests==2.32.0.
|
|
667
|
+
types-requests==2.32.0.20250306
|
|
668
668
|
# via emmet-builders (setup.py)
|
|
669
|
-
types-setuptools==75.8.
|
|
669
|
+
types-setuptools==75.8.2.20250305
|
|
670
670
|
# via emmet-builders (setup.py)
|
|
671
671
|
typing-extensions==4.12.2
|
|
672
672
|
# via
|
|
@@ -693,7 +693,7 @@ urllib3==2.3.0
|
|
|
693
693
|
# requests
|
|
694
694
|
# torchdata
|
|
695
695
|
# types-requests
|
|
696
|
-
virtualenv==20.29.
|
|
696
|
+
virtualenv==20.29.3
|
|
697
697
|
# via pre-commit
|
|
698
698
|
watchdog==6.0.0
|
|
699
699
|
# via mkdocs
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/abinit/sound_velocity.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/basic_descriptors.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/corrected_entries.py
RENAMED
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/dielectric.py
RENAMED
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/elasticity.py
RENAMED
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/electrodes.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/oxidation_states.py
RENAMED
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/piezoelectric.py
RENAMED
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/provenance.py
RENAMED
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/similarity.py
RENAMED
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/materials/substrates.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/mobility/migration_graph.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/metal_binding.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/molecules/trajectory.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet/builders/vasp/mp_potcar_stats.json.gz
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/emmet_builders.egg-info/dependency_links.txt
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc5 → emmet_builders-0.84.6rc6}/tests/test_corrected_entries_thermo.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|