emmet-builders 0.85.0rc0__tar.gz → 0.85.1rc0__tar.gz

{emmet_builders-0.85.0rc0/emmet_builders.egg-info → emmet_builders-0.85.1rc0}/PKG-INFO

@@ -1,13 +1,13 @@
 Metadata-Version: 2.4
 Name: emmet-builders
-Version: 0.85.0rc0
+Version: 0.85.1rc0
 Summary: Builders for the Emmet Library
 Author-email: The Materials Project <feedback@materialsproject.org>
 License: Modified BSD
 Project-URL: Homepage, https://github.com/materialsproject/emmet/tree/main/emmet-builders/
 Project-URL: Documentation, https://materialsproject.github.io/emmet/
 Requires-Python: >=3.10
-Requires-Dist: emmet-core[all]
+Requires-Dist: emmet-core[all]>=0.85
 Requires-Dist: maggma>=0.57.6
 Requires-Dist: matminer>=0.9.1
 Requires-Dist: pymatgen-io-validation>=0.1.1

{emmet_builders-0.85.0rc0 → emmet_builders-0.85.1rc0}/emmet/builders/materials/alloys.py

@@ -12,7 +12,7 @@ from pymatgen.analysis.alloys.core import (
 from pymatgen.core.structure import Structure
 from tqdm import tqdm
 
-from emmet.core.thermo import ThermoType
+from emmet.core.types.enums import ThermoType
 
 # rough sort of ANON_FORMULAS by "complexity"
 ANON_FORMULAS = sorted(KNOWN_ANON_FORMULAS, key=lambda af: len(af))

{emmet_builders-0.85.0rc0 → emmet_builders-0.85.1rc0}/emmet/builders/materials/corrected_entries.py

@@ -14,7 +14,7 @@ from pymatgen.entries.computed_entries import ComputedStructureEntry
 
 from emmet.builders.utils import HiddenPrints, chemsys_permutations
 from emmet.core.corrected_entries import CorrectedEntriesDoc
-from emmet.core.thermo import ThermoType
+from emmet.core.types.enums import ThermoType
 from emmet.core.utils import jsanitize
 
 from typing import TYPE_CHECKING

{emmet_builders-0.85.0rc0 → emmet_builders-0.85.1rc0}/emmet/builders/materials/summary.py

@@ -6,7 +6,7 @@ from maggma.utils import grouper
 from emmet.core.mpid import AlphaID
 from emmet.core.summary import SummaryDoc, HasProps
 from emmet.core.utils import jsanitize
-from emmet.core.thermo import ThermoType
+from emmet.core.types.enums import ThermoType
 
 
 class SummaryBuilder(Builder):

{emmet_builders-0.85.0rc0 → emmet_builders-0.85.1rc0/emmet_builders.egg-info}/PKG-INFO

@@ -1,13 +1,13 @@
 Metadata-Version: 2.4
 Name: emmet-builders
-Version: 0.85.0rc0
+Version: 0.85.1rc0
 Summary: Builders for the Emmet Library
 Author-email: The Materials Project <feedback@materialsproject.org>
 License: Modified BSD
 Project-URL: Homepage, https://github.com/materialsproject/emmet/tree/main/emmet-builders/
 Project-URL: Documentation, https://materialsproject.github.io/emmet/
 Requires-Python: >=3.10
-Requires-Dist: emmet-core[all]
+Requires-Dist: emmet-core[all]>=0.85
 Requires-Dist: maggma>=0.57.6
 Requires-Dist: matminer>=0.9.1
 Requires-Dist: pymatgen-io-validation>=0.1.1

{emmet_builders-0.85.0rc0 → emmet_builders-0.85.1rc0}/emmet_builders.egg-info/requires.txt

@@ -1,4 +1,4 @@
-emmet-core[all]
+emmet-core[all]>=0.85
 maggma>=0.57.6
 matminer>=0.9.1
 pymatgen-io-validation>=0.1.1

emmet_builders-0.85.1rc0/pyproject.toml

@@ -0,0 +1,66 @@
+[build-system]
+requires = ["setuptools>=80.0.0", "setuptools-scm>=8"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools_scm]
+root = ".."
+relative_to = "__file__"
+
+[tool.setuptools]
+include-package-data = true
+
+[tool.setuptools.packages.find]
+where = ["."]
+exclude = ["tests"]
+include = ["emmet.builders"]
+
+[tool.setuptools.package-data]
+"emmet.builders.vasp" = ["*.json.gz"]
+
+[project]
+name = "emmet-builders"
+dynamic = ["version"]
+requires-python = ">=3.10"
+description = "Builders for the Emmet Library"
+authors = [
+  { name = "The Materials Project", email = "feedback@materialsproject.org" },
+]
+license = { text = "Modified BSD" }
+dependencies = [
+  "emmet-core[all]>=0.85",
+  "maggma>=0.57.6",
+  "matminer>=0.9.1",
+  "pymatgen-io-validation>=0.1.1",
+]
+
+[project.urls]
+Homepage = "https://github.com/materialsproject/emmet/tree/main/emmet-builders/"
+Documentation = "https://materialsproject.github.io/emmet/"
+
+[project.optional-dependencies]
+test = [
+  "pre-commit",
+  "pytest",
+  "pytest-cov",
+  "pytest-xdist",
+  "pycodestyle",
+  "pydocstyle",
+  "flake8",
+  "mypy",
+  "mypy-extensions",
+  "types-setuptools",
+  "types-requests",
+  "wincertstore",
+]
+docs = [
+  "mkdocs",
+  "mkdocs-material<8.3",
+  "mkdocs-material-extensions",
+  "mkdocs-minify-plugin",
+  "mkdocstrings",
+  "mkdocs-awesome-pages-plugin",
+  "mkdocs-markdownextradata-plugin",
+  "mkdocstrings[python]",
+  "livereload",
+  "jinja2",
+]

{emmet_builders-0.85.0rc0 → emmet_builders-0.85.1rc0}/requirements/deployment.txt

@@ -87,7 +87,7 @@ fsspec[http]==2024.2.0
     # via
     #   pytorch-lightning
     #   torch
-future==0.18.3
+future==1.0.0
     # via
     #   matminer
     #   uncertainties

{emmet_builders-0.85.0rc0 → emmet_builders-0.85.1rc0}/requirements/ubuntu-latest_py3.11.txt

@@ -10,22 +10,24 @@ annotated-types==0.7.0
     # via pydantic
 ase==3.26.0
     # via pymatgen-analysis-diffusion
-attrs==25.3.0
+attrs==25.4.0
     # via
     #   jsonlines
     #   jsonschema
     #   referencing
-bcrypt==4.3.0
+bcrypt==5.0.0
     # via paramiko
 bibtexparser==1.4.3
     # via pymatgen
-boto3==1.40.27
+blake3==1.0.7
+    # via emmet-core
+boto3==1.40.48
     # via maggma
-botocore==1.40.27
+botocore==1.40.48
     # via
     #   boto3
     #   s3transfer
-certifi==2025.8.3
+certifi==2025.10.5
     # via requests
 cffi==2.0.0
     # via
@@ -35,7 +37,7 @@ charset-normalizer==3.4.3
     # via requests
 contourpy==1.3.3
     # via matplotlib
-cryptography==45.0.7
+cryptography==46.0.2
     # via paramiko
 cycler==0.12.1
     # via matplotlib
@@ -43,22 +45,16 @@ dnspython==2.8.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.84.9
+emmet-core[all]==0.85.0
     # via emmet-builders (pyproject.toml)
-filelock==3.19.1
-    # via mdanalysis
-fonttools==4.59.2
+fonttools==4.60.1
     # via matplotlib
-griddataformats==1.0.2
-    # via mdanalysis
 idna==3.10
     # via requests
 imageio==2.37.0
     # via scikit-image
 inflect==7.5.0
     # via robocrys
-iniconfig==2.1.0
-    # via pytest
 invoke==2.2.0
     # via paramiko
 jmespath==1.0.1
@@ -67,7 +63,6 @@ jmespath==1.0.1
     #   botocore
 joblib==1.5.2
     # via
-    #   mdanalysis
     #   pymatgen
     #   pymatgen-analysis-diffusion
     #   scikit-learn
@@ -92,19 +87,8 @@ matminer==0.9.3
 matplotlib==3.10.6
     # via
     #   ase
-    #   mdanalysis
     #   pymatgen
     #   seaborn
-    #   solvation-analysis
-mda-xdrlib==0.2.0
-    # via mdanalysis
-mdanalysis==2.9.0
-    # via
-    #   emmet-core
-    #   solvation-analysis
-    #   transport-analysis
-mmtf-python==1.1.3
-    # via mdanalysis
 mongomock==4.3.0
     # via maggma
 monty==2025.3.3
@@ -120,13 +104,9 @@ mp-pyrho==0.4.5
     # via pymatgen-analysis-defects
 mpmath==1.3.0
     # via sympy
-mrcfile==1.5.4
-    # via griddataformats
-msgpack==1.1.1
-    # via
-    #   maggma
-    #   mmtf-python
-narwhals==2.4.0
+msgpack==1.1.2
+    # via maggma
+narwhals==2.7.0
     # via plotly
 networkx==3.5
     # via
@@ -137,21 +117,16 @@ numpy==1.26.4
     # via
     #   ase
     #   contourpy
-    #   griddataformats
     #   imageio
     #   maggma
     #   matminer
     #   matplotlib
-    #   mdanalysis
     #   monty
-    #   mrcfile
     #   pandas
-    #   patsy
     #   pymatgen
     #   pymatgen-analysis-defects
     #   pymatgen-analysis-diffusion
     #   pymatgen-io-validation
-    #   rdkit
     #   robocrys
     #   scikit-image
     #   scikit-learn
@@ -159,10 +134,7 @@ numpy==1.26.4
     #   seaborn
     #   seekpath
     #   shapely
-    #   solvation-analysis
     #   spglib
-    #   statsmodels
-    #   tidynamics
     #   tifffile
 orjson==3.11.3
     # via
@@ -172,38 +144,26 @@ packaging==25.0
     # via
     #   lazy-loader
     #   matplotlib
-    #   mdanalysis
     #   mongomock
     #   plotly
-    #   pytest
     #   scikit-image
-    #   statsmodels
 palettable==3.3.3
     # via pymatgen
-pandas==2.3.2
+pandas==2.3.3
     # via
     #   maggma
     #   matminer
     #   pymatgen
     #   seaborn
-    #   solvation-analysis
-    #   statsmodels
 paramiko==4.0.0
     # via sshtunnel
-patsy==1.0.1
-    # via statsmodels
 pillow==11.3.0
     # via
     #   imageio
     #   matplotlib
-    #   rdkit
     #   scikit-image
-plotly==6.3.0
-    # via
-    #   pymatgen
-    #   solvation-analysis
-pluggy==1.6.0
-    # via pytest
+plotly==6.3.1
+    # via pymatgen
 pubchempy==1.0.5
     # via robocrys
 pyarrow==21.0.0
@@ -214,24 +174,22 @@ pybtex==0.25.1
     #   robocrys
 pycparser==2.23
     # via cffi
-pydantic==2.11.7
+pydantic==2.12.0
     # via
     #   emmet-core
     #   maggma
     #   pydantic-settings
     #   pymatgen-io-validation
-pydantic-core==2.33.2
+pydantic-core==2.41.1
     # via pydantic
-pydantic-settings==2.10.1
+pydantic-settings==2.11.0
     # via
     #   emmet-core
     #   maggma
     #   pymatgen-io-validation
 pydash==8.0.5
     # via maggma
-pygments==2.19.2
-    # via pytest
-pymatgen==2025.6.14
+pymatgen==2025.10.7
     # via
     #   emmet-core
     #   matminer
@@ -247,20 +205,20 @@ pymatgen-analysis-defects==2025.1.18
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
-pymatgen-io-validation==0.1.1
-    # via emmet-builders (pyproject.toml)
+pymatgen-io-validation==0.1.2
+    # via
+    #   emmet-builders (pyproject.toml)
+    #   emmet-core
 pymongo==4.10.1
     # via
     #   maggma
     #   matminer
-pynacl==1.5.0
+pynacl==1.6.0
     # via paramiko
-pyparsing==3.2.3
+pyparsing==3.2.5
     # via
     #   bibtexparser
     #   matplotlib
-pytest==8.4.2
-    # via solvation-analysis
 python-dateutil==2.9.0.post0
     # via
     #   botocore
@@ -273,12 +231,10 @@ pytz==2025.2
     # via
     #   mongomock
     #   pandas
-pyyaml==6.0.2
+pyyaml==6.0.3
     # via pybtex
 pyzmq==27.1.0
     # via maggma
-rdkit==2025.3.6
-    # via solvation-analysis
 referencing==0.36.2
     # via
     #   jsonschema
@@ -300,7 +256,7 @@ ruamel-yaml==0.18.15
     #   monty
     #   pymatgen
     #   robocrys
-ruamel-yaml-clib==0.2.12
+ruamel-yaml-clib==0.2.14
     # via ruamel-yaml
 s3transfer==0.14.0
     # via boto3
@@ -308,29 +264,23 @@ scikit-image==0.25.2
     # via pymatgen-analysis-defects
 scikit-learn==1.7.2
     # via matminer
-scipy==1.16.1
+scipy==1.16.2
     # via
     #   ase
-    #   griddataformats
-    #   mdanalysis
     #   pymatgen
     #   robocrys
     #   scikit-image
     #   scikit-learn
-    #   solvation-analysis
-    #   statsmodels
 seaborn==0.13.2
     # via pymatgen-analysis-diffusion
 seekpath==2.1.0
     # via emmet-core
 sentinels==1.1.1
     # via mongomock
-shapely==2.1.1
+shapely==2.1.2
     # via pymatgen-analysis-alloys
 six==1.17.0
     # via python-dateutil
-solvation-analysis==0.4.1
-    # via emmet-core
 spglib==2.6.0
     # via
     #   pymatgen
@@ -338,8 +288,6 @@ spglib==2.6.0
     #   seekpath
 sshtunnel==0.4.0
     # via maggma
-statsmodels==0.14.5
-    # via solvation-analysis
 sympy==1.14.0
     # via
     #   matminer
@@ -347,25 +295,19 @@ sympy==1.14.0
 tabulate==0.9.0
     # via pymatgen
 threadpoolctl==3.6.0
-    # via
-    #   mdanalysis
-    #   scikit-learn
-tidynamics==1.1.2
-    # via transport-analysis
-tifffile==2025.9.9
+    # via scikit-learn
+tifffile==2025.10.4
     # via scikit-image
 tqdm==4.67.1
     # via
     #   maggma
     #   matminer
-    #   mdanalysis
     #   pymatgen
-transport-analysis==0.1.2
-    # via emmet-core
 typeguard==4.4.4
     # via inflect
 typing-extensions==4.15.0
     # via
+    #   blake3
     #   emmet-core
     #   pydantic
     #   pydantic-core
@@ -374,7 +316,7 @@ typing-extensions==4.15.0
     #   spglib
     #   typeguard
     #   typing-inspection
-typing-inspection==0.4.1
+typing-inspection==0.4.2
     # via
     #   pydantic
     #   pydantic-settings