emmet-builders 0.84.0__tar.gz → 0.84.2rc0__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-0.84.0 → emmet-builders-0.84.2rc0}/PKG-INFO +1 -1
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet_builders.egg-info/PKG-INFO +1 -1
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/requirements/ubuntu-latest_py3.10.txt +24 -119
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/requirements/ubuntu-latest_py3.10_extras.txt +40 -128
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/requirements/ubuntu-latest_py3.11.txt +23 -114
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/requirements/ubuntu-latest_py3.11_extras.txt +39 -123
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/MANIFEST.in +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/abinit/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/abinit/phonon.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/feff/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/feff/xas.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/alloys.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/bonds.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/chemenv.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/dielectric.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/elasticity.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/electrodes.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/magnetism.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/ml.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/optimade.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/provenance.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/robocrys.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/similarity.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/substrates.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/summary.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/materials/thermo.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/mobility/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/atomic.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/bonds.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/redox.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/summary.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/thermo.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/molecules/vibration.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/qchem/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/qchem/molecules.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/settings.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/utils.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/vasp/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/vasp/materials.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/requirements/deployment.txt +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/requirements/ubuntu-latest_py3.9.txt +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/requirements/ubuntu-latest_py3.9_extras.txt +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/setup.cfg +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/setup.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/conftest.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/__init__.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_atomic.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_bonds.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_metal_binding.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_orbitals.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_redox.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_summary.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_thermo.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/molecules/test_vibration.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_absorption.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_basic_descriptors.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_chemenv.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_dielectric.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_elasticity.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_electronic_structure.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_magnetism.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_materials.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_ml.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_mobility.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_oxidation.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_piezoelectric.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_qchem.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_similarity.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_summary.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_utils.py +0 -0
- {emmet-builders-0.84.0 → emmet-builders-0.84.2rc0}/tests/test_vasp.py +0 -0
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# via maggma
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220
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packaging==24.1
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221
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# via
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222
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# matplotlib
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@@ -229,6 +174,7 @@ palettable==3.3.3
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# via pymatgen
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230
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pandas==2.2.2
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231
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# via
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+
# maggma
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# matminer
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# pymatgen
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# solvation-analysis
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@@ -237,9 +183,9 @@ paramiko==3.4.0
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# via sshtunnel
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patsy==0.5.6
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# via statsmodels
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phonopy==2.
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phonopy==2.25.0
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# via matcalc
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pillow==10.
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188
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+
pillow==10.4.0
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# via
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# matplotlib
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# rdkit
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@@ -258,22 +204,19 @@ 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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pydantic==2.8.0
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# via
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# emmet-core
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# fastapi
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# maggma
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# pydantic-settings
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pydantic-core==2.
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pydantic-core==2.20.0
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# via pydantic
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pydantic-settings==2.3.
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+
pydantic-settings==2.3.4
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# via
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# emmet-core
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# maggma
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pydash==8.0.1
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# via maggma
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pygments==2.18.0
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# via rich
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pymatgen==2024.4.13
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# via
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# emmet-core
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@@ -287,11 +230,10 @@ pymatgen-analysis-alloys==0.0.6
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# via emmet-core
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pymatgen-analysis-diffusion==2023.8.15
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# via emmet-core
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290
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pymongo==4.
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+
pymongo==4.8.0
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# via
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292
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# maggma
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293
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# matminer
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294
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# mongogrant
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pynacl==1.5.0
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# via paramiko
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pyparsing==3.1.2
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|
@@ -305,21 +247,16 @@ python-dateutil==2.9.0.post0
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# matplotlib
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306
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# pandas
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307
249
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python-dotenv==1.0.1
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308
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# via
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|
309
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-
# pydantic-settings
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|
310
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-
# uvicorn
|
|
311
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-
python-multipart==0.0.9
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# via fastapi
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250
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+
# via pydantic-settings
|
|
313
251
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pytz==2024.1
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314
252
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# via pandas
|
|
315
253
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pyyaml==6.0.1
|
|
316
254
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# via
|
|
317
255
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# phonopy
|
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318
256
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# pybtex
|
|
319
|
-
# uvicorn
|
|
320
257
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pyzmq==26.0.3
|
|
321
258
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# via maggma
|
|
322
|
-
rdkit==
|
|
259
|
+
rdkit==2024.3.1
|
|
323
260
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# via solvation-analysis
|
|
324
261
|
referencing==0.35.1
|
|
325
262
|
# via
|
|
@@ -328,11 +265,8 @@ referencing==0.35.1
|
|
|
328
265
|
requests==2.32.3
|
|
329
266
|
# via
|
|
330
267
|
# matminer
|
|
331
|
-
# mongogrant
|
|
332
268
|
# mp-api
|
|
333
269
|
# pymatgen
|
|
334
|
-
rich==13.7.1
|
|
335
|
-
# via typer
|
|
336
270
|
robocrys==0.2.9
|
|
337
271
|
# via emmet-core
|
|
338
272
|
rpds-py==0.18.1
|
|
@@ -346,7 +280,7 @@ ruamel-yaml==0.18.6
|
|
|
346
280
|
# robocrys
|
|
347
281
|
ruamel-yaml-clib==0.2.8
|
|
348
282
|
# via ruamel-yaml
|
|
349
|
-
s3transfer==0.10.
|
|
283
|
+
s3transfer==0.10.2
|
|
350
284
|
# via boto3
|
|
351
285
|
scikit-learn==1.5.0
|
|
352
286
|
# via matminer
|
|
@@ -366,8 +300,6 @@ sentinels==1.0.0
|
|
|
366
300
|
# via mongomock
|
|
367
301
|
shapely==2.0.4
|
|
368
302
|
# via pymatgen-analysis-alloys
|
|
369
|
-
shellingham==1.5.4
|
|
370
|
-
# via typer
|
|
371
303
|
six==1.16.0
|
|
372
304
|
# via
|
|
373
305
|
# patsy
|
|
@@ -375,10 +307,6 @@ six==1.16.0
|
|
|
375
307
|
# python-dateutil
|
|
376
308
|
smart-open==7.0.4
|
|
377
309
|
# via mp-api
|
|
378
|
-
sniffio==1.3.1
|
|
379
|
-
# via
|
|
380
|
-
# anyio
|
|
381
|
-
# httpx
|
|
382
310
|
solvation-analysis==0.4.0
|
|
383
311
|
# via
|
|
384
312
|
# emmet-builders (setup.py)
|
|
@@ -391,8 +319,6 @@ spglib==2.4.0
|
|
|
391
319
|
# seekpath
|
|
392
320
|
sshtunnel==0.4.0
|
|
393
321
|
# via maggma
|
|
394
|
-
starlette==0.37.2
|
|
395
|
-
# via fastapi
|
|
396
322
|
statsmodels==0.14.2
|
|
397
323
|
# via solvation-analysis
|
|
398
324
|
sympy==1.12.1
|
|
@@ -401,7 +327,7 @@ sympy==1.12.1
|
|
|
401
327
|
# pymatgen
|
|
402
328
|
tabulate==0.9.0
|
|
403
329
|
# via pymatgen
|
|
404
|
-
tenacity==8.4.
|
|
330
|
+
tenacity==8.4.2
|
|
405
331
|
# via plotly
|
|
406
332
|
threadpoolctl==3.5.0
|
|
407
333
|
# via
|
|
@@ -417,43 +343,22 @@ tqdm==4.66.4
|
|
|
417
343
|
# pymatgen
|
|
418
344
|
typeguard==4.3.0
|
|
419
345
|
# via inflect
|
|
420
|
-
typer==0.12.3
|
|
421
|
-
# via fastapi-cli
|
|
422
346
|
typing-extensions==4.12.2
|
|
423
347
|
# via
|
|
424
|
-
# anyio
|
|
425
348
|
# emmet-core
|
|
426
|
-
# fastapi
|
|
427
|
-
# inflect
|
|
428
349
|
# mp-api
|
|
429
350
|
# pydantic
|
|
430
351
|
# pydantic-core
|
|
431
352
|
# pydash
|
|
432
353
|
# typeguard
|
|
433
|
-
# typer
|
|
434
|
-
# uvicorn
|
|
435
354
|
tzdata==2024.1
|
|
436
355
|
# via pandas
|
|
437
|
-
ujson==5.10.0
|
|
438
|
-
# via fastapi
|
|
439
356
|
uncertainties==3.2.1
|
|
440
357
|
# via pymatgen
|
|
441
358
|
urllib3==2.2.2
|
|
442
359
|
# via
|
|
443
360
|
# botocore
|
|
444
361
|
# requests
|
|
445
|
-
uvicorn[standard]==0.30.1
|
|
446
|
-
# via
|
|
447
|
-
# fastapi
|
|
448
|
-
# maggma
|
|
449
|
-
uvloop==0.19.0
|
|
450
|
-
# via uvicorn
|
|
451
|
-
watchfiles==0.22.0
|
|
452
|
-
# via uvicorn
|
|
453
|
-
websockets==12.0
|
|
454
|
-
# via uvicorn
|
|
455
|
-
werkzeug==3.0.3
|
|
456
|
-
# via flask
|
|
457
362
|
wrapt==1.16.0
|
|
458
363
|
# via smart-open
|
|
459
364
|
|