emmet-builders 0.84.3rc3__tar.gz → 0.84.3rc6__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-0.84.3rc6/PKG-INFO +49 -0
- emmet_builders-0.84.3rc6/emmet_builders.egg-info/PKG-INFO +49 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/requirements/ubuntu-latest_py3.10.txt +54 -34
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/requirements/ubuntu-latest_py3.10_extras.txt +78 -56
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/requirements/ubuntu-latest_py3.11.txt +53 -33
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/requirements/ubuntu-latest_py3.11_extras.txt +76 -54
- emmet-builders-0.84.3rc3/PKG-INFO +0 -24
- emmet-builders-0.84.3rc3/emmet_builders.egg-info/PKG-INFO +0 -24
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/MANIFEST.in +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/abinit/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/abinit/phonon.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/feff/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/feff/xas.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/alloys.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/bonds.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/chemenv.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/dielectric.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/elasticity.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/electrodes.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/magnetism.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/ml.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/optimade.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/provenance.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/robocrys.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/similarity.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/substrates.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/summary.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/materials/thermo.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/mobility/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/atomic.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/bonds.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/electric.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/redox.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/summary.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/thermo.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/trajectory.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/molecules/vibration.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/qchem/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/qchem/molecules.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/settings.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/utils.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/vasp/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/vasp/materials.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/requirements/deployment.txt +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/setup.cfg +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/setup.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/conftest.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/__init__.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_atomic.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_bonds.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_electric.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_metal_binding.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_orbitals.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_redox.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_summary.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_thermo.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_trajectory.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/molecules/test_vibration.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_absorption.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_basic_descriptors.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_chemenv.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_dielectric.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_elasticity.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_electronic_structure.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_magnetism.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_materials.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_ml.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_mobility.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_oxidation.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_piezoelectric.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_qchem.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_similarity.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_summary.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_utils.py +0 -0
- {emmet-builders-0.84.3rc3 → emmet_builders-0.84.3rc6}/tests/test_vasp.py +0 -0
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Metadata-Version: 2.1
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Name: emmet-builders
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Version: 0.84.3rc6
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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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Requires-Python: >=3.9
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Description-Content-Type: text/markdown
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Requires-Dist: emmet-core[all]
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# 
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[](https://github.com/materialsproject/emmet/actions?query=workflow%3Atesting)
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[](https://codecov.io/gh/materialsproject/emmet)
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The Materials API Toolkit for the Materials Project. Emmet defines the core models, data pipelines, the API server, and the convenience CLI.
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Name: emmet-builders
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Version: 0.84.3rc6
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Summary: Builders for the Emmet Library
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License: modified BSD
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# 
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[](https://github.com/materialsproject/emmet/actions?query=workflow%3Atesting)
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[](https://codecov.io/gh/materialsproject/emmet)
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The Materials API Toolkit for the Materials Project. Emmet defines the core models, data pipelines, the API server, and the convenience CLI.
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# jsonlines
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# jsonschema
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# referencing
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bcrypt==4.2.
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bcrypt==4.2.1
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# via paramiko
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# via
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# via requests
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# via matplotlib
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# via paramiko
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cycler==0.12.1
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@@ -51,7 +51,7 @@ exceptiongroup==1.2.2
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# via pytest
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fasteners==0.19
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# via mdanalysis
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fonttools==4.
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fonttools==4.55.1
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# via matplotlib
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griddataformats==1.0.2
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# via mdanalysis
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@@ -59,7 +59,7 @@ h5py==3.12.1
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# via phonopy
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idna==3.10
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# via requests
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imageio==2.36.
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imageio==2.36.1
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# via scikit-image
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inflect==7.4.0
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# via robocrys
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@@ -98,26 +98,32 @@ 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==3.9.
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matplotlib==3.9.3
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# via
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# ase
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# mdanalysis
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# pathsimanalysis
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# phonopy
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# pymatgen
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# seaborn
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mdahole2==0.5.0
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# via mdanalysis
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mdanalysis==2.8.0
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# via
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# mdahole2
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# waterdynamics
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mmtf-python==1.1.3
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# via mdanalysis
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mongomock==4.
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mongomock==4.3.0
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# via maggma
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monty==2024.
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monty==2024.10.21
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@@ -127,9 +133,9 @@ monty==2024.7.30
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# robocrys
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more-itertools==10.5.0
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# via inflect
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mp-api==0.
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mp-api==0.43.0
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mp-pyrho==0.4.
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mp-pyrho==0.4.5
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mpmath==1.3.0
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# via sympy
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@@ -140,7 +146,7 @@ msgpack==1.1.0
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# mp-api
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networkx==3.4.2
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# via
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# pymatgen
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@@ -157,8 +163,10 @@ numpy==1.26.4
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# matplotlib
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# mdanalysis
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# monty
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# mrcfile
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# pandas
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# pathsimanalysis
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# patsy
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# phonopy
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# pymatgen
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@@ -175,10 +183,12 @@ numpy==1.26.4
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# symfc
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# tifffile
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# waterdynamics
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orjson==3.10.12
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packaging==24.
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packaging==24.2
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# via
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# lazy-loader
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# matplotlib
|
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@@ -200,9 +210,11 @@ pandas==2.2.3
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# statsmodels
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paramiko==3.5.0
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# via sshtunnel
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+
pathsimanalysis==1.2.0
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# via mdanalysis
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+
patsy==1.0.1
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# via statsmodels
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phonopy==2.
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+
phonopy==2.31.2
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# via matcalc
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pillow==11.0.0
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# via
|
|
@@ -225,20 +237,20 @@ pybtex==0.24.0
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# robocrys
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pycparser==2.22
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# via cffi
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pydantic==2.
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|
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+
pydantic==2.10.3
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# via
|
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# emmet-core
|
|
231
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# maggma
|
|
232
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# pydantic-settings
|
|
233
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pydantic-core==2.
|
|
245
|
+
pydantic-core==2.27.1
|
|
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246
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# via pydantic
|
|
235
|
-
pydantic-settings==2.6.
|
|
247
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+
pydantic-settings==2.6.1
|
|
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|
# via
|
|
237
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|
# emmet-core
|
|
238
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|
# maggma
|
|
239
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-
pydash==8.0.
|
|
251
|
+
pydash==8.0.4
|
|
240
252
|
# via maggma
|
|
241
|
-
pymatgen==2024.
|
|
253
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+
pymatgen==2024.11.13
|
|
242
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# via
|
|
243
255
|
# emmet-core
|
|
244
256
|
# matcalc
|
|
@@ -251,7 +263,7 @@ pymatgen==2024.10.3
|
|
|
251
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|
# robocrys
|
|
252
264
|
pymatgen-analysis-alloys==0.0.7
|
|
253
265
|
# via emmet-core
|
|
254
|
-
pymatgen-analysis-defects==2024.
|
|
266
|
+
pymatgen-analysis-defects==2024.10.22
|
|
255
267
|
# via emmet-core
|
|
256
268
|
pymatgen-analysis-diffusion==2024.7.15
|
|
257
269
|
# via emmet-core
|
|
@@ -263,7 +275,7 @@ pynacl==1.5.0
|
|
|
263
275
|
# via paramiko
|
|
264
276
|
pyparsing==3.2.0
|
|
265
277
|
# via matplotlib
|
|
266
|
-
pytest==8.3.
|
|
278
|
+
pytest==8.3.4
|
|
267
279
|
# via solvation-analysis
|
|
268
280
|
python-dateutil==2.9.0.post0
|
|
269
281
|
# via
|
|
@@ -283,7 +295,7 @@ pyyaml==6.0.2
|
|
|
283
295
|
# pybtex
|
|
284
296
|
pyzmq==26.2.0
|
|
285
297
|
# via maggma
|
|
286
|
-
rdkit==2024.3.
|
|
298
|
+
rdkit==2024.3.6
|
|
287
299
|
# via solvation-analysis
|
|
288
300
|
referencing==0.35.1
|
|
289
301
|
# via
|
|
@@ -296,18 +308,19 @@ requests==2.32.3
|
|
|
296
308
|
# pymatgen
|
|
297
309
|
robocrys==0.2.10
|
|
298
310
|
# via emmet-core
|
|
299
|
-
rpds-py==0.
|
|
311
|
+
rpds-py==0.22.1
|
|
300
312
|
# via
|
|
301
313
|
# jsonschema
|
|
302
314
|
# referencing
|
|
303
315
|
ruamel-yaml==0.18.6
|
|
304
316
|
# via
|
|
305
317
|
# maggma
|
|
318
|
+
# monty
|
|
306
319
|
# pymatgen
|
|
307
320
|
# robocrys
|
|
308
|
-
ruamel-yaml-clib==0.2.
|
|
321
|
+
ruamel-yaml-clib==0.2.12
|
|
309
322
|
# via ruamel-yaml
|
|
310
|
-
s3transfer==0.10.
|
|
323
|
+
s3transfer==0.10.4
|
|
311
324
|
# via boto3
|
|
312
325
|
scikit-image==0.24.0
|
|
313
326
|
# via pymatgen-analysis-defects
|
|
@@ -318,12 +331,15 @@ scipy==1.14.1
|
|
|
318
331
|
# ase
|
|
319
332
|
# griddataformats
|
|
320
333
|
# mdanalysis
|
|
334
|
+
# pathsimanalysis
|
|
335
|
+
# phonopy
|
|
321
336
|
# pymatgen
|
|
322
337
|
# robocrys
|
|
323
338
|
# scikit-image
|
|
324
339
|
# scikit-learn
|
|
325
340
|
# solvation-analysis
|
|
326
341
|
# statsmodels
|
|
342
|
+
# symfc
|
|
327
343
|
seaborn==0.13.2
|
|
328
344
|
# via pymatgen-analysis-diffusion
|
|
329
345
|
seekpath==2.1.0
|
|
@@ -334,7 +350,6 @@ shapely==2.0.6
|
|
|
334
350
|
# via pymatgen-analysis-alloys
|
|
335
351
|
six==1.16.0
|
|
336
352
|
# via
|
|
337
|
-
# patsy
|
|
338
353
|
# pybtex
|
|
339
354
|
# python-dateutil
|
|
340
355
|
smart-open==7.0.5
|
|
@@ -349,10 +364,13 @@ spglib==2.5.0
|
|
|
349
364
|
# pymatgen
|
|
350
365
|
# robocrys
|
|
351
366
|
# seekpath
|
|
367
|
+
# symfc
|
|
352
368
|
sshtunnel==0.4.0
|
|
353
369
|
# via maggma
|
|
354
370
|
statsmodels==0.14.4
|
|
355
371
|
# via solvation-analysis
|
|
372
|
+
symfc==1.1.6
|
|
373
|
+
# via phonopy
|
|
356
374
|
sympy==1.13.3
|
|
357
375
|
# via
|
|
358
376
|
# matminer
|
|
@@ -367,15 +385,15 @@ threadpoolctl==3.5.0
|
|
|
367
385
|
# scikit-learn
|
|
368
386
|
tifffile==2024.9.20
|
|
369
387
|
# via scikit-image
|
|
370
|
-
tomli==2.
|
|
388
|
+
tomli==2.2.1
|
|
371
389
|
# via pytest
|
|
372
|
-
tqdm==4.
|
|
390
|
+
tqdm==4.67.1
|
|
373
391
|
# via
|
|
374
392
|
# maggma
|
|
375
393
|
# matminer
|
|
376
394
|
# mdanalysis
|
|
377
395
|
# pymatgen
|
|
378
|
-
typeguard==4.
|
|
396
|
+
typeguard==4.4.1
|
|
379
397
|
# via inflect
|
|
380
398
|
typing-extensions==4.12.2
|
|
381
399
|
# via
|
|
@@ -393,7 +411,9 @@ urllib3==2.2.3
|
|
|
393
411
|
# via
|
|
394
412
|
# botocore
|
|
395
413
|
# requests
|
|
396
|
-
|
|
414
|
+
waterdynamics==1.2.0
|
|
415
|
+
# via mdanalysis
|
|
416
|
+
wrapt==1.17.0
|
|
397
417
|
# via smart-open
|
|
398
418
|
|
|
399
419
|
# The following packages are considered to be unsafe in a requirements file:
|