emmet-builders 0.84.7rc0__tar.gz → 0.84.7rc1__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-0.84.7rc0/emmet_builders.egg-info → emmet_builders-0.84.7rc1}/PKG-INFO +1 -1
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1/emmet_builders.egg-info}/PKG-INFO +1 -1
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.10.txt +17 -44
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.10_extras.txt +25 -52
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.11.txt +17 -44
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.11_extras.txt +25 -52
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/MANIFEST.in +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/abinit/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/abinit/phonon.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/feff/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/feff/xas.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/alloys.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/bonds.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/chemenv.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/dielectric.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/elasticity.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/electrodes.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/magnetism.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/ml.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/optimade.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/provenance.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/robocrys.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/similarity.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/substrates.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/summary.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/materials/thermo.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/mobility/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/atomic.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/bonds.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/electric.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/redox.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/summary.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/thermo.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/trajectory.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/molecules/vibration.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/qchem/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/qchem/molecules.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/settings.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/utils.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/materials.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/deployment.txt +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/setup.cfg +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/setup.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/conftest.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/__init__.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_atomic.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_bonds.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_electric.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_metal_binding.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_orbitals.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_redox.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_summary.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_thermo.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_trajectory.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/molecules/test_vibration.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_absorption.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_basic_descriptors.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_chemenv.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_dielectric.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_elasticity.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_electronic_structure.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_magnetism.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_materials.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_ml.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_mobility.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_oxidation.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_piezoelectric.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_qchem.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_similarity.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_summary.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_utils.py +0 -0
- {emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/tests/test_vasp.py +0 -0
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# referencing
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bcrypt==4.3.0
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# via paramiko
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boto3==1.37.
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boto3==1.37.26
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# via maggma
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botocore==1.37.
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botocore==1.37.26
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# via
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# boto3
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# s3transfer
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# via
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# maggma
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# pymongo
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emmet-core[all]==0.84.
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# via
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# emmet-builders (setup.py)
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# mp-api
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emmet-core[all]==0.84.6
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# via emmet-builders (setup.py)
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exceptiongroup==1.2.2
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# via pytest
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filelock==3.18.0
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# via mdanalysis
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fonttools==4.
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fonttools==4.57.0
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fsspec==2025.3.
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griddataformats==1.0.2
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# via requests
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imageio==2.37.0
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# via
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typing-extensions==4.13.
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typing-extensions==4.13.1
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# via
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# emmet-core
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# mp-api
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# pydantic
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# pydantic-core
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# pydash
|
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@@ -420,8 +395,6 @@ urllib3==2.3.0
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# via
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# botocore
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# requests
|
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wrapt==1.17.2
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# via smart-open
|
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398
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# The following packages are considered to be unsafe in a requirements file:
|
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# setuptools
|
{emmet_builders-0.84.7rc0 → emmet_builders-0.84.7rc1}/requirements/ubuntu-latest_py3.10_extras.txt
RENAMED
|
@@ -6,7 +6,7 @@
|
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|
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6
|
#
|
|
7
7
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aiohappyeyeballs==2.6.1
|
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8
8
|
# via aiohttp
|
|
9
|
-
aiohttp==3.11.
|
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9
|
+
aiohttp==3.11.16
|
|
10
10
|
# via fsspec
|
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11
11
|
aioitertools==0.12.0
|
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|
# via maggma
|
|
@@ -30,9 +30,9 @@ attrs==25.3.0
|
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|
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|
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# via paramiko
|
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|
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34
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# via maggma
|
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|
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+
botocore==1.37.26
|
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# via
|
|
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37
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# boto3
|
|
38
38
|
# s3transfer
|
|
@@ -76,10 +76,8 @@ dnspython==2.7.0
|
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# via
|
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# maggma
|
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# pymongo
|
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emmet-core[all,ml]==0.84.
|
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# via
|
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# emmet-builders (setup.py)
|
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# mp-api
|
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emmet-core[all,ml]==0.84.6
|
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# via emmet-builders (setup.py)
|
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exceptiongroup==1.2.2
|
|
84
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|
# via pytest
|
|
85
83
|
filelock==3.18.0
|
|
@@ -89,13 +87,13 @@ filelock==3.18.0
|
|
|
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|
# virtualenv
|
|
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flake8==7.2.0
|
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# via emmet-builders (setup.py)
|
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fonttools==4.
|
|
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+
fonttools==4.57.0
|
|
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# via matplotlib
|
|
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|
frozenlist==1.5.0
|
|
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|
# via
|
|
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|
# aiohttp
|
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|
# aiosignal
|
|
98
|
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fsspec[http]==2025.3.
|
|
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|
|
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|
# via
|
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# lightning
|
|
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|
# matcalc
|
|
@@ -105,12 +103,10 @@ ghp-import==2.1.0
|
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# via mkdocs
|
|
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|
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# via mdanalysis
|
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|
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griffe==1.7.
|
|
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|
+
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|
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|
# via mkdocstrings-python
|
|
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|
h5py==3.13.0
|
|
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|
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# via
|
|
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|
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# phono3py
|
|
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|
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# phonopy
|
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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==2.6.9
|
|
@@ -159,7 +155,7 @@ lazy-loader==0.4
|
|
|
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|
# via scikit-image
|
|
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|
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|
|
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|
# via matgl
|
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|
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lightning-utilities==0.14.
|
|
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|
+
lightning-utilities==0.14.3
|
|
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|
# via
|
|
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|
# lightning
|
|
165
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|
# pytorch-lightning
|
|
@@ -167,9 +163,7 @@ lightning-utilities==0.14.2
|
|
|
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|
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|
|
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|
# via emmet-builders (setup.py)
|
|
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|
maggma==0.71.5
|
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|
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# via
|
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|
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# emmet-builders (setup.py)
|
|
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|
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# mp-api
|
|
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|
+
# via emmet-builders (setup.py)
|
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|
markdown==3.7
|
|
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|
# via
|
|
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169
|
# mkdocs
|
|
@@ -183,7 +177,7 @@ markupsafe==3.0.2
|
|
|
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|
# mkdocs
|
|
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|
# mkdocs-autorefs
|
|
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|
# mkdocstrings
|
|
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|
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matcalc==0.3.
|
|
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|
+
matcalc==0.3.1
|
|
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181
|
# via emmet-core
|
|
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182
|
matgl==1.1.3
|
|
189
183
|
# via emmet-core
|
|
@@ -195,7 +189,6 @@ matplotlib==3.10.1
|
|
|
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|
# via
|
|
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|
# ase
|
|
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191
|
# mdanalysis
|
|
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|
-
# phono3py
|
|
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192
|
# phonopy
|
|
200
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|
# pymatgen
|
|
201
194
|
# seaborn
|
|
@@ -241,11 +234,11 @@ 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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|
# via emmet-builders (setup.py)
|
|
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|
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mkdocstrings[python]==0.29.
|
|
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|
+
mkdocstrings[python]==0.29.1
|
|
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238
|
# via
|
|
246
239
|
# emmet-builders (setup.py)
|
|
247
240
|
# mkdocstrings-python
|
|
248
|
-
mkdocstrings-python==1.16.
|
|
241
|
+
mkdocstrings-python==1.16.10
|
|
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242
|
# via mkdocstrings
|
|
250
243
|
mmtf-python==1.1.3
|
|
251
244
|
# via mdanalysis
|
|
@@ -256,13 +249,10 @@ monty==2025.3.3
|
|
|
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|
# emmet-core
|
|
257
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|
# maggma
|
|
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|
# matminer
|
|
259
|
-
# mp-api
|
|
260
252
|
# pymatgen
|
|
261
253
|
# robocrys
|
|
262
254
|
more-itertools==10.6.0
|
|
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255
|
# via inflect
|
|
264
|
-
mp-api==0.45.3
|
|
265
|
-
# via robocrys
|
|
266
256
|
mp-pyrho==0.4.5
|
|
267
257
|
# via pymatgen-analysis-defects
|
|
268
258
|
mpmath==1.3.0
|
|
@@ -273,7 +263,6 @@ msgpack==1.1.0
|
|
|
273
263
|
# via
|
|
274
264
|
# maggma
|
|
275
265
|
# mmtf-python
|
|
276
|
-
# mp-api
|
|
277
266
|
multidict==6.2.0
|
|
278
267
|
# via
|
|
279
268
|
# aiohttp
|
|
@@ -284,7 +273,7 @@ mypy-extensions==1.0.0
|
|
|
284
273
|
# via
|
|
285
274
|
# emmet-builders (setup.py)
|
|
286
275
|
# mypy
|
|
287
|
-
narwhals==1.
|
|
276
|
+
narwhals==1.33.0
|
|
288
277
|
# via plotly
|
|
289
278
|
natsort==8.4.0
|
|
290
279
|
# via mkdocs-awesome-pages-plugin
|
|
@@ -303,7 +292,6 @@ numpy==1.26.4
|
|
|
303
292
|
# chgnet
|
|
304
293
|
# contourpy
|
|
305
294
|
# dgl
|
|
306
|
-
# emmet-core
|
|
307
295
|
# griddataformats
|
|
308
296
|
# h5py
|
|
309
297
|
# imageio
|
|
@@ -316,7 +304,6 @@ numpy==1.26.4
|
|
|
316
304
|
# mrcfile
|
|
317
305
|
# pandas
|
|
318
306
|
# patsy
|
|
319
|
-
# phono3py
|
|
320
307
|
# phonopy
|
|
321
308
|
# pymatgen
|
|
322
309
|
# pymatgen-analysis-defects
|
|
@@ -405,12 +392,8 @@ pathspec==0.12.1
|
|
|
405
392
|
# via mkdocs
|
|
406
393
|
patsy==1.0.1
|
|
407
394
|
# via statsmodels
|
|
408
|
-
phono3py==3.15.0
|
|
409
|
-
# via matcalc
|
|
410
395
|
phonopy==2.38.0
|
|
411
|
-
# via
|
|
412
|
-
# matcalc
|
|
413
|
-
# phono3py
|
|
396
|
+
# via matcalc
|
|
414
397
|
pillow==11.1.0
|
|
415
398
|
# via
|
|
416
399
|
# imageio
|
|
@@ -448,13 +431,13 @@ pycodestyle==2.13.0
|
|
|
448
431
|
# flake8
|
|
449
432
|
pycparser==2.22
|
|
450
433
|
# via cffi
|
|
451
|
-
pydantic==2.11.
|
|
434
|
+
pydantic==2.11.2
|
|
452
435
|
# via
|
|
453
436
|
# emmet-core
|
|
454
437
|
# maggma
|
|
455
438
|
# matgl
|
|
456
439
|
# pydantic-settings
|
|
457
|
-
pydantic-core==2.33.
|
|
440
|
+
pydantic-core==2.33.1
|
|
458
441
|
# via pydantic
|
|
459
442
|
pydantic-settings==2.8.1
|
|
460
443
|
# via
|
|
@@ -464,18 +447,17 @@ pydash==8.0.5
|
|
|
464
447
|
# via maggma
|
|
465
448
|
pydocstyle==6.3.0
|
|
466
449
|
# via emmet-builders (setup.py)
|
|
467
|
-
pyflakes==3.3.
|
|
450
|
+
pyflakes==3.3.2
|
|
468
451
|
# via flake8
|
|
469
452
|
pygments==2.19.1
|
|
470
453
|
# via mkdocs-material
|
|
471
|
-
pymatgen==2025.
|
|
454
|
+
pymatgen==2025.1.9
|
|
472
455
|
# via
|
|
473
456
|
# chgnet
|
|
474
457
|
# emmet-core
|
|
475
458
|
# matcalc
|
|
476
459
|
# matgl
|
|
477
460
|
# matminer
|
|
478
|
-
# mp-api
|
|
479
461
|
# mp-pyrho
|
|
480
462
|
# pymatgen-analysis-alloys
|
|
481
463
|
# pymatgen-analysis-defects
|
|
@@ -504,7 +486,7 @@ pytest==8.3.5
|
|
|
504
486
|
# emmet-builders (setup.py)
|
|
505
487
|
# pytest-cov
|
|
506
488
|
# solvation-analysis
|
|
507
|
-
pytest-cov==6.
|
|
489
|
+
pytest-cov==6.1.0
|
|
508
490
|
# via emmet-builders (setup.py)
|
|
509
491
|
python-dateutil==2.9.0.post0
|
|
510
492
|
# via
|
|
@@ -527,7 +509,6 @@ pyyaml==6.0.2
|
|
|
527
509
|
# mkdocs
|
|
528
510
|
# mkdocs-get-deps
|
|
529
511
|
# mkdocs-markdownextradata-plugin
|
|
530
|
-
# phono3py
|
|
531
512
|
# phonopy
|
|
532
513
|
# pre-commit
|
|
533
514
|
# pybtex
|
|
@@ -548,10 +529,9 @@ requests==2.32.3
|
|
|
548
529
|
# via
|
|
549
530
|
# dgl
|
|
550
531
|
# matminer
|
|
551
|
-
# mp-api
|
|
552
532
|
# pymatgen
|
|
553
533
|
# torchdata
|
|
554
|
-
robocrys==0.2.
|
|
534
|
+
robocrys==0.2.11
|
|
555
535
|
# via emmet-core
|
|
556
536
|
rpds-py==0.24.0
|
|
557
537
|
# via
|
|
@@ -579,7 +559,6 @@ scipy==1.15.2
|
|
|
579
559
|
# dgl
|
|
580
560
|
# griddataformats
|
|
581
561
|
# mdanalysis
|
|
582
|
-
# phono3py
|
|
583
562
|
# pymatgen
|
|
584
563
|
# robocrys
|
|
585
564
|
# scikit-image
|
|
@@ -593,14 +572,12 @@ seekpath==2.1.0
|
|
|
593
572
|
# via emmet-core
|
|
594
573
|
sentinels==1.0.0
|
|
595
574
|
# via mongomock
|
|
596
|
-
shapely==2.0
|
|
575
|
+
shapely==2.1.0
|
|
597
576
|
# via pymatgen-analysis-alloys
|
|
598
577
|
six==1.17.0
|
|
599
578
|
# via
|
|
600
579
|
# pybtex
|
|
601
580
|
# python-dateutil
|
|
602
|
-
smart-open==7.1.0
|
|
603
|
-
# via mp-api
|
|
604
581
|
snowballstemmer==2.2.0
|
|
605
582
|
# via pydocstyle
|
|
606
583
|
solvation-analysis==0.4.1
|
|
@@ -609,7 +586,6 @@ solvation-analysis==0.4.1
|
|
|
609
586
|
# emmet-core
|
|
610
587
|
spglib==2.6.0
|
|
611
588
|
# via
|
|
612
|
-
# phono3py
|
|
613
589
|
# phonopy
|
|
614
590
|
# pymatgen
|
|
615
591
|
# robocrys
|
|
@@ -678,14 +654,13 @@ types-requests==2.32.0.20250328
|
|
|
678
654
|
# via emmet-builders (setup.py)
|
|
679
655
|
types-setuptools==78.1.0.20250329
|
|
680
656
|
# via emmet-builders (setup.py)
|
|
681
|
-
typing-extensions==4.13.
|
|
657
|
+
typing-extensions==4.13.1
|
|
682
658
|
# via
|
|
683
659
|
# chgnet
|
|
684
660
|
# emmet-core
|
|
685
661
|
# lightning
|
|
686
662
|
# lightning-utilities
|
|
687
663
|
# mkdocstrings-python
|
|
688
|
-
# mp-api
|
|
689
664
|
# multidict
|
|
690
665
|
# mypy
|
|
691
666
|
# pydantic
|
|
@@ -709,7 +684,7 @@ urllib3==2.3.0
|
|
|
709
684
|
# requests
|
|
710
685
|
# torchdata
|
|
711
686
|
# types-requests
|
|
712
|
-
virtualenv==20.
|
|
687
|
+
virtualenv==20.30.0
|
|
713
688
|
# via pre-commit
|
|
714
689
|
watchdog==6.0.0
|
|
715
690
|
# via mkdocs
|
|
@@ -717,8 +692,6 @@ wcmatch==10.0
|
|
|
717
692
|
# via mkdocs-awesome-pages-plugin
|
|
718
693
|
wincertstore==0.2.1
|
|
719
694
|
# via emmet-builders (setup.py)
|
|
720
|
-
wrapt==1.17.2
|
|
721
|
-
# via smart-open
|
|
722
695
|
yarl==1.18.3
|
|
723
696
|
# via aiohttp
|
|
724
697
|
|