emmet-builders 0.84.6rc4__tar.gz → 0.84.6rc5__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-0.84.6rc4/emmet_builders.egg-info → emmet_builders-0.84.6rc5}/PKG-INFO +2 -2
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5/emmet_builders.egg-info}/PKG-INFO +2 -2
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.10.txt +11 -11
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.10_extras.txt +16 -16
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.11.txt +11 -11
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.11_extras.txt +16 -16
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/setup.py +1 -1
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_elasticity.py +1 -1
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/MANIFEST.in +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/phonon.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/sound_velocity.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/feff/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/feff/xas.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/absorption_spectrum.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/alloys.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/basic_descriptors.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/bonds.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/chemenv.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/corrected_entries.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/dielectric.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/elasticity.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/electrodes.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/electronic_structure.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/magnetism.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/ml.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/optimade.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/oxidation_states.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/piezoelectric.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/provenance.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/robocrys.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/similarity.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/substrates.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/summary.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/materials/thermo.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/matscholar/missing_compositions.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/mobility/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/mobility/migration_graph.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/atomic.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/bonds.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/electric.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/metal_binding.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/orbitals.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/redox.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/summary.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/thermo.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/trajectory.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/molecules/vibration.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/qchem/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/qchem/molecules.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/settings.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/utils.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/materials.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/mp_potcar_stats.json.gz +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/vasp/task_validator.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/SOURCES.txt +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/dependency_links.txt +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/not-zip-safe +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/requires.txt +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet_builders.egg-info/top_level.txt +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/requirements/deployment.txt +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/setup.cfg +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/conftest.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/__init__.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_atomic.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_bonds.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_electric.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_metal_binding.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_orbitals.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_redox.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_summary.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_thermo.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_trajectory.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/molecules/test_vibration.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_absorption.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_basic_descriptors.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_chemenv.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_corrected_entries_thermo.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_dielectric.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_electronic_structure.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_magnetism.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_materials.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_ml.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_mobility.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_oxidation.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_piezoelectric.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_qchem.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_similarity.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_summary.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_utils.py +0 -0
- {emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/tests/test_vasp.py +0 -0
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Metadata-Version: 2.2
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Name: emmet-builders
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Version: 0.84.
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Version: 0.84.6rc5
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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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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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# referencing
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# via paramiko
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-
h5py==3.
|
|
110
|
+
h5py==3.13.0
|
|
111
111
|
# via phonopy
|
|
112
112
|
htmlmin2==0.1.13
|
|
113
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|
# via mkdocs-minify-plugin
|
|
@@ -246,11 +246,11 @@ mkdocs-material-extensions==1.3.1
|
|
|
246
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|
# mkdocs-material
|
|
247
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|
mkdocs-minify-plugin==0.8.0
|
|
248
248
|
# via emmet-builders (setup.py)
|
|
249
|
-
mkdocstrings[python]==0.28.
|
|
249
|
+
mkdocstrings[python]==0.28.1
|
|
250
250
|
# via
|
|
251
251
|
# emmet-builders (setup.py)
|
|
252
252
|
# mkdocstrings-python
|
|
253
|
-
mkdocstrings-python==1.
|
|
253
|
+
mkdocstrings-python==1.16.1
|
|
254
254
|
# via mkdocstrings
|
|
255
255
|
mmtf-python==1.1.3
|
|
256
256
|
# via mdanalysis
|
|
@@ -266,7 +266,7 @@ monty==2025.1.9
|
|
|
266
266
|
# robocrys
|
|
267
267
|
more-itertools==10.6.0
|
|
268
268
|
# via inflect
|
|
269
|
-
mp-api==0.45.
|
|
269
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+
mp-api==0.45.2
|
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# via robocrys
|
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271
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mp-pyrho==0.4.5
|
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272
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# via pymatgen-analysis-defects
|
|
@@ -289,7 +289,7 @@ mypy-extensions==1.0.0
|
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289
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# via
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290
290
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# emmet-builders (setup.py)
|
|
291
291
|
# mypy
|
|
292
|
-
narwhals==1.
|
|
292
|
+
narwhals==1.27.1
|
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293
293
|
# via plotly
|
|
294
294
|
natsort==8.4.0
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|
295
295
|
# via mkdocs-awesome-pages-plugin
|
|
@@ -432,11 +432,11 @@ pluggy==1.5.0
|
|
|
432
432
|
# via pytest
|
|
433
433
|
pre-commit==4.1.0
|
|
434
434
|
# via emmet-builders (setup.py)
|
|
435
|
-
propcache==0.
|
|
435
|
+
propcache==0.3.0
|
|
436
436
|
# via
|
|
437
437
|
# aiohttp
|
|
438
438
|
# yarl
|
|
439
|
-
psutil==
|
|
439
|
+
psutil==7.0.0
|
|
440
440
|
# via dgl
|
|
441
441
|
pubchempy==1.0.4
|
|
442
442
|
# via robocrys
|
|
@@ -471,7 +471,7 @@ pyflakes==3.2.0
|
|
|
471
471
|
# via flake8
|
|
472
472
|
pygments==2.19.1
|
|
473
473
|
# via mkdocs-material
|
|
474
|
-
pymatgen==2025.
|
|
474
|
+
pymatgen==2025.2.18
|
|
475
475
|
# via
|
|
476
476
|
# chgnet
|
|
477
477
|
# emmet-core
|
|
@@ -555,7 +555,7 @@ requests==2.32.3
|
|
|
555
555
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# torchdata
|
|
556
556
|
robocrys==0.2.10
|
|
557
557
|
# via emmet-core
|
|
558
|
-
rpds-py==0.
|
|
558
|
+
rpds-py==0.23.0
|
|
559
559
|
# via
|
|
560
560
|
# jsonschema
|
|
561
561
|
# referencing
|
|
@@ -569,11 +569,11 @@ ruamel-yaml-clib==0.2.12
|
|
|
569
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|
# via ruamel-yaml
|
|
570
570
|
s3transfer==0.11.2
|
|
571
571
|
# via boto3
|
|
572
|
-
scikit-image==0.25.
|
|
572
|
+
scikit-image==0.25.2
|
|
573
573
|
# via pymatgen-analysis-defects
|
|
574
574
|
scikit-learn==1.6.1
|
|
575
575
|
# via matminer
|
|
576
|
-
scipy==1.15.
|
|
576
|
+
scipy==1.15.2
|
|
577
577
|
# via
|
|
578
578
|
# ase
|
|
579
579
|
# dgl
|
|
@@ -633,7 +633,7 @@ threadpoolctl==3.5.0
|
|
|
633
633
|
# scikit-learn
|
|
634
634
|
tidynamics==1.1.2
|
|
635
635
|
# via transport-analysis
|
|
636
|
-
tifffile==2025.
|
|
636
|
+
tifffile==2025.2.18
|
|
637
637
|
# via scikit-image
|
|
638
638
|
tomli==2.2.1
|
|
639
639
|
# via
|
|
@@ -671,7 +671,7 @@ transport-analysis==0.1.2
|
|
|
671
671
|
# via emmet-builders (setup.py)
|
|
672
672
|
triton==3.2.0
|
|
673
673
|
# via torch
|
|
674
|
-
typeguard==4.4.
|
|
674
|
+
typeguard==4.4.2
|
|
675
675
|
# via inflect
|
|
676
676
|
types-requests==2.32.0.20241016
|
|
677
677
|
# via emmet-builders (setup.py)
|
|
@@ -19,9 +19,9 @@ attrs==25.1.0
|
|
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19
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|
# referencing
|
|
20
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|
bcrypt==4.2.1
|
|
21
21
|
# via paramiko
|
|
22
|
-
boto3==1.36.
|
|
22
|
+
boto3==1.36.25
|
|
23
23
|
# via maggma
|
|
24
|
-
botocore==1.36.
|
|
24
|
+
botocore==1.36.25
|
|
25
25
|
# via
|
|
26
26
|
# boto3
|
|
27
27
|
# s3transfer
|
|
@@ -53,7 +53,7 @@ fonttools==4.56.0
|
|
|
53
53
|
# via matplotlib
|
|
54
54
|
griddataformats==1.0.2
|
|
55
55
|
# via mdanalysis
|
|
56
|
-
h5py==3.
|
|
56
|
+
h5py==3.13.0
|
|
57
57
|
# via phonopy
|
|
58
58
|
idna==3.10
|
|
59
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|
# via requests
|
|
@@ -131,7 +131,7 @@ monty==2025.1.9
|
|
|
131
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|
# robocrys
|
|
132
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|
more-itertools==10.6.0
|
|
133
133
|
# via inflect
|
|
134
|
-
mp-api==0.45.
|
|
134
|
+
mp-api==0.45.2
|
|
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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
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|
# maggma
|
|
145
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|
# mmtf-python
|
|
146
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|
# mp-api
|
|
147
|
-
narwhals==1.
|
|
147
|
+
narwhals==1.27.1
|
|
148
148
|
# via plotly
|
|
149
149
|
networkx==3.4.2
|
|
150
150
|
# via
|
|
@@ -250,7 +250,7 @@ pydantic-settings==2.7.1
|
|
|
250
250
|
# maggma
|
|
251
251
|
pydash==8.0.5
|
|
252
252
|
# via maggma
|
|
253
|
-
pymatgen==2025.
|
|
253
|
+
pymatgen==2025.2.18
|
|
254
254
|
# via
|
|
255
255
|
# emmet-core
|
|
256
256
|
# matcalc
|
|
@@ -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.
|
|
311
|
+
rpds-py==0.23.0
|
|
312
312
|
# via
|
|
313
313
|
# jsonschema
|
|
314
314
|
# referencing
|
|
@@ -322,11 +322,11 @@ ruamel-yaml-clib==0.2.12
|
|
|
322
322
|
# via ruamel-yaml
|
|
323
323
|
s3transfer==0.11.2
|
|
324
324
|
# via boto3
|
|
325
|
-
scikit-image==0.25.
|
|
325
|
+
scikit-image==0.25.2
|
|
326
326
|
# via pymatgen-analysis-defects
|
|
327
327
|
scikit-learn==1.6.1
|
|
328
328
|
# via matminer
|
|
329
|
-
scipy==1.15.
|
|
329
|
+
scipy==1.15.2
|
|
330
330
|
# via
|
|
331
331
|
# ase
|
|
332
332
|
# griddataformats
|
|
@@ -380,7 +380,7 @@ threadpoolctl==3.5.0
|
|
|
380
380
|
# via
|
|
381
381
|
# mdanalysis
|
|
382
382
|
# scikit-learn
|
|
383
|
-
tifffile==2025.
|
|
383
|
+
tifffile==2025.2.18
|
|
384
384
|
# via scikit-image
|
|
385
385
|
tqdm==4.67.1
|
|
386
386
|
# via
|
|
@@ -388,7 +388,7 @@ tqdm==4.67.1
|
|
|
388
388
|
# matminer
|
|
389
389
|
# mdanalysis
|
|
390
390
|
# pymatgen
|
|
391
|
-
typeguard==4.4.
|
|
391
|
+
typeguard==4.4.2
|
|
392
392
|
# via inflect
|
|
393
393
|
typing-extensions==4.12.2
|
|
394
394
|
# via
|
{emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/requirements/ubuntu-latest_py3.11_extras.txt
RENAMED
|
@@ -28,9 +28,9 @@ attrs==25.1.0
|
|
|
28
28
|
# referencing
|
|
29
29
|
bcrypt==4.2.1
|
|
30
30
|
# via paramiko
|
|
31
|
-
boto3==1.36.
|
|
31
|
+
boto3==1.36.25
|
|
32
32
|
# via maggma
|
|
33
|
-
botocore==1.36.
|
|
33
|
+
botocore==1.36.25
|
|
34
34
|
# via
|
|
35
35
|
# boto3
|
|
36
36
|
# s3transfer
|
|
@@ -84,7 +84,7 @@ filelock==3.17.0
|
|
|
84
84
|
# via
|
|
85
85
|
# torch
|
|
86
86
|
# virtualenv
|
|
87
|
-
flake8==7.1.
|
|
87
|
+
flake8==7.1.2
|
|
88
88
|
# via emmet-builders (setup.py)
|
|
89
89
|
fonttools==4.56.0
|
|
90
90
|
# via matplotlib
|
|
@@ -103,7 +103,7 @@ griddataformats==1.0.2
|
|
|
103
103
|
# via mdanalysis
|
|
104
104
|
griffe==1.5.7
|
|
105
105
|
# via mkdocstrings-python
|
|
106
|
-
h5py==3.
|
|
106
|
+
h5py==3.13.0
|
|
107
107
|
# via phonopy
|
|
108
108
|
htmlmin2==0.1.13
|
|
109
109
|
# via mkdocs-minify-plugin
|
|
@@ -242,11 +242,11 @@ mkdocs-material-extensions==1.3.1
|
|
|
242
242
|
# mkdocs-material
|
|
243
243
|
mkdocs-minify-plugin==0.8.0
|
|
244
244
|
# via emmet-builders (setup.py)
|
|
245
|
-
mkdocstrings[python]==0.28.
|
|
245
|
+
mkdocstrings[python]==0.28.1
|
|
246
246
|
# via
|
|
247
247
|
# emmet-builders (setup.py)
|
|
248
248
|
# mkdocstrings-python
|
|
249
|
-
mkdocstrings-python==1.
|
|
249
|
+
mkdocstrings-python==1.16.1
|
|
250
250
|
# via mkdocstrings
|
|
251
251
|
mmtf-python==1.1.3
|
|
252
252
|
# via mdanalysis
|
|
@@ -262,7 +262,7 @@ monty==2025.1.9
|
|
|
262
262
|
# robocrys
|
|
263
263
|
more-itertools==10.6.0
|
|
264
264
|
# via inflect
|
|
265
|
-
mp-api==0.45.
|
|
265
|
+
mp-api==0.45.2
|
|
266
266
|
# via robocrys
|
|
267
267
|
mp-pyrho==0.4.5
|
|
268
268
|
# via pymatgen-analysis-defects
|
|
@@ -285,7 +285,7 @@ mypy-extensions==1.0.0
|
|
|
285
285
|
# via
|
|
286
286
|
# emmet-builders (setup.py)
|
|
287
287
|
# mypy
|
|
288
|
-
narwhals==1.
|
|
288
|
+
narwhals==1.27.1
|
|
289
289
|
# via plotly
|
|
290
290
|
natsort==8.4.0
|
|
291
291
|
# via mkdocs-awesome-pages-plugin
|
|
@@ -428,11 +428,11 @@ pluggy==1.5.0
|
|
|
428
428
|
# via pytest
|
|
429
429
|
pre-commit==4.1.0
|
|
430
430
|
# via emmet-builders (setup.py)
|
|
431
|
-
propcache==0.
|
|
431
|
+
propcache==0.3.0
|
|
432
432
|
# via
|
|
433
433
|
# aiohttp
|
|
434
434
|
# yarl
|
|
435
|
-
psutil==
|
|
435
|
+
psutil==7.0.0
|
|
436
436
|
# via dgl
|
|
437
437
|
pubchempy==1.0.4
|
|
438
438
|
# via robocrys
|
|
@@ -467,7 +467,7 @@ pyflakes==3.2.0
|
|
|
467
467
|
# via flake8
|
|
468
468
|
pygments==2.19.1
|
|
469
469
|
# via mkdocs-material
|
|
470
|
-
pymatgen==2025.
|
|
470
|
+
pymatgen==2025.2.18
|
|
471
471
|
# via
|
|
472
472
|
# chgnet
|
|
473
473
|
# emmet-core
|
|
@@ -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.
|
|
554
|
+
rpds-py==0.23.0
|
|
555
555
|
# via
|
|
556
556
|
# jsonschema
|
|
557
557
|
# referencing
|
|
@@ -565,11 +565,11 @@ ruamel-yaml-clib==0.2.12
|
|
|
565
565
|
# via ruamel-yaml
|
|
566
566
|
s3transfer==0.11.2
|
|
567
567
|
# via boto3
|
|
568
|
-
scikit-image==0.25.
|
|
568
|
+
scikit-image==0.25.2
|
|
569
569
|
# via pymatgen-analysis-defects
|
|
570
570
|
scikit-learn==1.6.1
|
|
571
571
|
# via matminer
|
|
572
|
-
scipy==1.15.
|
|
572
|
+
scipy==1.15.2
|
|
573
573
|
# via
|
|
574
574
|
# ase
|
|
575
575
|
# dgl
|
|
@@ -629,7 +629,7 @@ threadpoolctl==3.5.0
|
|
|
629
629
|
# scikit-learn
|
|
630
630
|
tidynamics==1.1.2
|
|
631
631
|
# via transport-analysis
|
|
632
|
-
tifffile==2025.
|
|
632
|
+
tifffile==2025.2.18
|
|
633
633
|
# via scikit-image
|
|
634
634
|
torch==2.6.0
|
|
635
635
|
# via
|
|
@@ -662,7 +662,7 @@ transport-analysis==0.1.2
|
|
|
662
662
|
# via emmet-builders (setup.py)
|
|
663
663
|
triton==3.2.0
|
|
664
664
|
# via torch
|
|
665
|
-
typeguard==4.4.
|
|
665
|
+
typeguard==4.4.2
|
|
666
666
|
# via inflect
|
|
667
667
|
types-requests==2.32.0.20241016
|
|
668
668
|
# via emmet-builders (setup.py)
|
|
@@ -33,7 +33,7 @@ def test_elasticity_builder(tasks_store, materials_store, elasticity_store):
|
|
|
33
33
|
builder.run()
|
|
34
34
|
|
|
35
35
|
assert elasticity_store.count() == 6
|
|
36
|
-
assert elasticity_store.count({"deprecated": False}) ==
|
|
36
|
+
assert elasticity_store.count({"deprecated": False}) == 6
|
|
37
37
|
|
|
38
38
|
|
|
39
39
|
def test_serialization(tmpdir):
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
{emmet_builders-0.84.6rc4 → emmet_builders-0.84.6rc5}/emmet/builders/abinit/sound_velocity.py
RENAMED
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
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