emmet-builders 0.84.9__tar.gz → 0.84.10__tar.gz

{emmet_builders-0.84.9/emmet_builders.egg-info → emmet_builders-0.84.10}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: emmet-builders
-Version: 0.84.9
+Version: 0.84.10
 Summary: Builders for the Emmet Library
 Home-page: https://github.com/materialsproject/emmet
 Author: The Materials Project
@@ -13,6 +13,7 @@ Requires-Dist: maggma>=0.57.6
 Requires-Dist: matminer>=0.9.1
 Requires-Dist: solvation-analysis>=0.4.0
 Requires-Dist: MDAnalysis>=2.7.0
+Requires-Dist: pymatgen-io-validation>=0.1.0
 Provides-Extra: test
 Requires-Dist: pre-commit; extra == "test"
 Requires-Dist: pytest; extra == "test"

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/emmet/builders/materials/elasticity.py

@@ -30,7 +30,6 @@ from pymatgen.core import Structure
 from pymatgen.core.tensors import TensorMapping
 
 from emmet.core.elasticity import ElasticityDoc
-from emmet.core.mpid import MPID
 from emmet.core.utils import jsanitize
 from emmet.core.vasp.calc_types import CalcType
 
@@ -40,6 +39,8 @@ if TYPE_CHECKING:
     from collections.abc import Generator
     from typing import Any
 
+    from emmet.core.mpid import AlphaID, MPID
+
 
 class ElasticityBuilder(Builder):
     def __init__(
@@ -136,7 +137,7 @@ class ElasticityBuilder(Builder):
             yield material_id, calc_types, tasks
 
     def process_item(
-        self, item: tuple[MPID, dict[str, str], list[dict]]
+        self, item: tuple[MPID | AlphaID, dict[str, str], list[dict]]
     ) -> dict | None:
         """
         Process all tasks belong to the same material into an elasticity doc.

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/emmet/builders/materials/substrates.py

@@ -7,7 +7,7 @@ from pymatgen.analysis.elasticity.elastic import ElasticTensor
 from pymatgen.core.structure import Structure
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 
-from emmet.core.mpid import MPID
+from emmet.core.mpid import AlphaID
 from emmet.core.substrates import SubstratesDoc
 from emmet.core.utils import jsanitize
 
@@ -108,7 +108,7 @@ class SubstratesBuilder(Builder):
             dict: a diffraction dict
         """
 
-        mpid = MPID(item["material_id"])
+        mpid = AlphaID(item["material_id"])
         elastic_tensor = item.get("elastic_tensor", None)
         elastic_tensor = (
             ElasticTensor.from_voigt(elastic_tensor) if elastic_tensor else None

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/emmet/builders/materials/summary.py

@@ -3,7 +3,7 @@ from math import ceil
 from maggma.builders import Builder
 from maggma.utils import grouper
 
-from emmet.core.mpid import MPID
+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
@@ -214,7 +214,7 @@ class SummaryBuilder(Builder):
             yield {"query": {self.materials.key: {"$in": list(split)}}}
 
     def process_item(self, item):
-        material_id = MPID(item[HasProps.materials.value]["material_id"])
+        material_id = AlphaID(item[HasProps.materials.value]["material_id"])
         doc = SummaryDoc.from_docs(material_id=material_id, **item)
         return jsanitize(doc.model_dump(exclude_none=False), allow_bson=True)
 

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/emmet/builders/vasp/task_validator.py

@@ -5,7 +5,8 @@ from emmet.builders.settings import EmmetBuildSettings
 from emmet.builders.utils import get_potcar_stats
 from emmet.core.tasks import TaskDoc
 from emmet.core.vasp.calc_types.enums import CalcType
-from emmet.core.vasp.validation import DeprecationMessage, ValidationDoc
+from emmet.core.vasp.validation import DeprecationMessage
+from emmet.core.vasp.validation_legacy import ValidationDoc
 
 
 class TaskValidator(MapBuilder):

{emmet_builders-0.84.9 → emmet_builders-0.84.10/emmet_builders.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: emmet-builders
-Version: 0.84.9
+Version: 0.84.10
 Summary: Builders for the Emmet Library
 Home-page: https://github.com/materialsproject/emmet
 Author: The Materials Project
@@ -13,6 +13,7 @@ Requires-Dist: maggma>=0.57.6
 Requires-Dist: matminer>=0.9.1
 Requires-Dist: solvation-analysis>=0.4.0
 Requires-Dist: MDAnalysis>=2.7.0
+Requires-Dist: pymatgen-io-validation>=0.1.0
 Provides-Extra: test
 Requires-Dist: pre-commit; extra == "test"
 Requires-Dist: pytest; extra == "test"

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/emmet_builders.egg-info/SOURCES.txt

@@ -1,4 +1,5 @@
 MANIFEST.in
+pyproject.toml
 setup.py
 emmet/builders/__init__.py
 emmet/builders/settings.py

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/emmet_builders.egg-info/requires.txt

@@ -3,6 +3,7 @@ maggma>=0.57.6
 matminer>=0.9.1
 solvation-analysis>=0.4.0
 MDAnalysis>=2.7.0
+pymatgen-io-validation>=0.1.0
 
 [docs]
 mkdocs

emmet_builders-0.84.10/pyproject.toml

@@ -0,0 +1,7 @@
+[build-system]
+requires = ["setuptools>=80.0.0","setuptools-scm>=8"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools_scm]
+root = ".."
+relative_to = "__file__"

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/requirements/ubuntu-latest_py3.11.txt

@@ -8,7 +8,7 @@ aioitertools==0.12.0
     # via maggma
 annotated-types==0.7.0
     # via pydantic
-ase==3.25.0
+ase==3.26.0
     # via pymatgen-analysis-diffusion
 attrs==25.3.0
     # via
@@ -19,9 +19,9 @@ bcrypt==4.3.0
     # via paramiko
 bibtexparser==1.4.3
     # via pymatgen
-boto3==1.40.1
+boto3==1.40.11
     # via maggma
-botocore==1.40.1
+botocore==1.40.11
     # via
     #   boto3
     #   s3transfer
@@ -31,11 +31,11 @@ cffi==1.17.1
     # via
     #   cryptography
     #   pynacl
-charset-normalizer==3.4.2
+charset-normalizer==3.4.3
     # via requests
 contourpy==1.3.3
     # via matplotlib
-cryptography==44.0.1
+cryptography==45.0.6
     # via paramiko
 cycler==0.12.1
     # via matplotlib
@@ -43,11 +43,11 @@ dnspython==2.7.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.84.8
+emmet-core[all]==0.84.9
     # via emmet-builders (setup.py)
-filelock==3.18.0
+filelock==3.19.1
     # via mdanalysis
-fonttools==4.59.0
+fonttools==4.59.1
     # via matplotlib
 griddataformats==1.0.2
     # via mdanalysis
@@ -73,17 +73,17 @@ joblib==1.5.1
     #   scikit-learn
 jsonlines==4.0.0
     # via maggma
-jsonschema==4.25.0
+jsonschema==4.25.1
     # via maggma
 jsonschema-specifications==2025.4.1
     # via jsonschema
-kiwisolver==1.4.8
+kiwisolver==1.4.9
     # via matplotlib
 latexcodec==3.0.1
     # via pybtex
 lazy-loader==0.4
     # via scikit-image
-maggma==0.71.5
+maggma==0.72.0
     # via emmet-builders (setup.py)
 matminer==0.9.3
     # via
@@ -127,7 +127,7 @@ msgpack==1.1.1
     # via
     #   maggma
     #   mmtf-python
-narwhals==2.0.1
+narwhals==2.1.2
     # via plotly
 networkx==3.5
     # via
@@ -151,6 +151,7 @@ numpy==1.26.4
     #   pymatgen
     #   pymatgen-analysis-defects
     #   pymatgen-analysis-diffusion
+    #   pymatgen-io-validation
     #   rdkit
     #   robocrys
     #   scikit-image
@@ -164,7 +165,7 @@ numpy==1.26.4
     #   statsmodels
     #   tidynamics
     #   tifffile
-orjson==3.11.1
+orjson==3.11.2
     # via
     #   maggma
     #   pymatgen
@@ -198,7 +199,7 @@ pillow==11.3.0
     #   matplotlib
     #   rdkit
     #   scikit-image
-plotly==6.2.0
+plotly==6.3.0
     # via
     #   pymatgen
     #   solvation-analysis
@@ -219,12 +220,14 @@ pydantic==2.11.7
     #   emmet-core
     #   maggma
     #   pydantic-settings
+    #   pymatgen-io-validation
 pydantic-core==2.33.2
     # via pydantic
 pydantic-settings==2.10.1
     # via
     #   emmet-core
     #   maggma
+    #   pymatgen-io-validation
 pydash==8.0.5
     # via maggma
 pygments==2.19.2
@@ -237,13 +240,16 @@ pymatgen==2025.6.14
     #   pymatgen-analysis-alloys
     #   pymatgen-analysis-defects
     #   pymatgen-analysis-diffusion
+    #   pymatgen-io-validation
     #   robocrys
-pymatgen-analysis-alloys==0.0.7
+pymatgen-analysis-alloys==0.0.8
     # via emmet-core
 pymatgen-analysis-defects==2025.1.18
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
+pymatgen-io-validation==0.1.0
+    # via emmet-builders (setup.py)
 pymongo==4.10.1
     # via
     #   maggma
@@ -282,9 +288,10 @@ requests==2.32.4
     # via
     #   matminer
     #   pymatgen
+    #   pymatgen-io-validation
 robocrys==0.2.11
     # via emmet-core
-rpds-py==0.26.0
+rpds-py==0.27.0
     # via
     #   jsonschema
     #   referencing
@@ -317,7 +324,7 @@ seaborn==0.13.2
     # via pymatgen-analysis-diffusion
 seekpath==2.1.0
     # via emmet-core
-sentinels==1.0.0
+sentinels==1.1.1
     # via mongomock
 shapely==2.1.1
     # via pymatgen-analysis-alloys

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/requirements/ubuntu-latest_py3.11_extras.txt

@@ -8,7 +8,7 @@ aioitertools==0.12.0
     # via maggma
 annotated-types==0.7.0
     # via pydantic
-ase==3.25.0
+ase==3.26.0
     # via
     #   matcalc
     #   pymatgen-analysis-diffusion
@@ -21,9 +21,9 @@ bcrypt==4.3.0
     # via paramiko
 bibtexparser==1.4.3
     # via pymatgen
-boto3==1.40.1
+boto3==1.40.11
     # via maggma
-botocore==1.40.1
+botocore==1.40.11
     # via
     #   boto3
     #   s3transfer
@@ -37,7 +37,7 @@ cffi==1.17.1
     #   pynacl
 cfgv==3.4.0
     # via pre-commit
-charset-normalizer==3.4.2
+charset-normalizer==3.4.3
     # via requests
 click==8.2.1
     # via mkdocs
@@ -45,9 +45,9 @@ colorama==0.4.6
     # via griffe
 contourpy==1.3.3
     # via matplotlib
-coverage[toml]==7.10.2
+coverage[toml]==7.10.4
     # via pytest-cov
-cryptography==44.0.1
+cryptography==45.0.6
     # via paramiko
 csscompressor==0.9.5
     # via mkdocs-minify-plugin
@@ -59,15 +59,15 @@ dnspython==2.7.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all,ml]==0.84.8
+emmet-core[all,ml]==0.84.9
     # via emmet-builders (setup.py)
-filelock==3.18.0
+filelock==3.19.1
     # via
     #   mdanalysis
     #   virtualenv
 flake8==7.3.0
     # via emmet-builders (setup.py)
-fonttools==4.59.0
+fonttools==4.59.1
     # via matplotlib
 fsspec==2025.7.0
     # via matcalc
@@ -75,7 +75,7 @@ ghp-import==2.1.0
     # via mkdocs
 griddataformats==1.0.2
     # via mdanalysis
-griffe==1.9.0
+griffe==1.12.1
     # via mkdocstrings-python
 h5py==3.14.0
     # via
@@ -83,7 +83,7 @@ h5py==3.14.0
     #   phonopy
 htmlmin2==0.1.13
     # via mkdocs-minify-plugin
-identify==2.6.12
+identify==2.6.13
     # via pre-commit
 idna==3.10
     # via requests
@@ -116,11 +116,11 @@ jsmin==3.0.1
     # via mkdocs-minify-plugin
 jsonlines==4.0.0
     # via maggma
-jsonschema==4.25.0
+jsonschema==4.25.1
     # via maggma
 jsonschema-specifications==2025.4.1
     # via jsonschema
-kiwisolver==1.4.8
+kiwisolver==1.4.9
     # via matplotlib
 latexcodec==3.0.1
     # via pybtex
@@ -128,7 +128,7 @@ lazy-loader==0.4
     # via scikit-image
 livereload==2.7.1
     # via emmet-builders (setup.py)
-maggma==0.71.5
+maggma==0.72.0
     # via emmet-builders (setup.py)
 markdown==3.8.2
     # via
@@ -203,7 +203,7 @@ mkdocstrings[python]==0.30.0
     # via
     #   emmet-builders (setup.py)
     #   mkdocstrings-python
-mkdocstrings-python==1.16.12
+mkdocstrings-python==1.17.0
     # via mkdocstrings
 mmtf-python==1.1.3
     # via mdanalysis
@@ -234,7 +234,7 @@ mypy-extensions==1.1.0
     # via
     #   emmet-builders (setup.py)
     #   mypy
-narwhals==2.0.1
+narwhals==2.1.2
     # via plotly
 natsort==8.4.0
     # via mkdocs-awesome-pages-plugin
@@ -266,6 +266,7 @@ numpy==1.26.4
     #   pymatgen
     #   pymatgen-analysis-defects
     #   pymatgen-analysis-diffusion
+    #   pymatgen-io-validation
     #   rdkit
     #   robocrys
     #   scikit-image
@@ -280,7 +281,7 @@ numpy==1.26.4
     #   symfc
     #   tidynamics
     #   tifffile
-orjson==3.11.1
+orjson==3.11.2
     # via
     #   maggma
     #   pymatgen
@@ -313,9 +314,9 @@ pathspec==0.12.1
     #   mypy
 patsy==1.0.1
     # via statsmodels
-phono3py==3.19.0
+phono3py==3.19.2
     # via matcalc
-phonopy==2.43.0
+phonopy==2.43.1
     # via
     #   matcalc
     #   phono3py
@@ -329,7 +330,7 @@ platformdirs==4.3.8
     # via
     #   mkdocs-get-deps
     #   virtualenv
-plotly==6.2.0
+plotly==6.3.0
     # via
     #   pymatgen
     #   solvation-analysis
@@ -337,7 +338,7 @@ pluggy==1.6.0
     # via
     #   pytest
     #   pytest-cov
-pre-commit==4.2.0
+pre-commit==4.3.0
     # via emmet-builders (setup.py)
 pubchempy==1.0.4
     # via robocrys
@@ -358,12 +359,14 @@ pydantic==2.11.7
     #   emmet-core
     #   maggma
     #   pydantic-settings
+    #   pymatgen-io-validation
 pydantic-core==2.33.2
     # via pydantic
 pydantic-settings==2.10.1
     # via
     #   emmet-core
     #   maggma
+    #   pymatgen-io-validation
 pydash==8.0.5
     # via maggma
 pydocstyle==6.3.0
@@ -383,13 +386,16 @@ pymatgen==2025.6.14
     #   pymatgen-analysis-alloys
     #   pymatgen-analysis-defects
     #   pymatgen-analysis-diffusion
+    #   pymatgen-io-validation
     #   robocrys
-pymatgen-analysis-alloys==0.0.7
+pymatgen-analysis-alloys==0.0.8
     # via emmet-core
 pymatgen-analysis-defects==2025.1.18
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
+pymatgen-io-validation==0.1.0
+    # via emmet-builders (setup.py)
 pymdown-extensions==10.16.1
     # via
     #   mkdocs-material
@@ -449,9 +455,10 @@ requests==2.32.4
     # via
     #   matminer
     #   pymatgen
+    #   pymatgen-io-validation
 robocrys==0.2.11
     # via emmet-core
-rpds-py==0.26.0
+rpds-py==0.27.0
     # via
     #   jsonschema
     #   referencing
@@ -488,7 +495,7 @@ seaborn==0.13.2
     # via pymatgen-analysis-diffusion
 seekpath==2.1.0
     # via emmet-core
-sentinels==1.0.0
+sentinels==1.1.1
     # via mongomock
 shapely==2.1.1
     # via pymatgen-analysis-alloys
@@ -528,7 +535,7 @@ tidynamics==1.1.2
     # via transport-analysis
 tifffile==2025.6.11
     # via scikit-image
-tornado==6.5.1
+tornado==6.5.2
     # via livereload
 tqdm==4.67.1
     # via
@@ -542,9 +549,9 @@ transport-analysis==0.1.2
     #   emmet-core
 typeguard==4.4.4
     # via inflect
-types-requests==2.32.4.20250611
+types-requests==2.32.4.20250809
     # via emmet-builders (setup.py)
-types-setuptools==80.9.0.20250801
+types-setuptools==80.9.0.20250809
     # via emmet-builders (setup.py)
 typing-extensions==4.14.1
     # via
@@ -570,7 +577,7 @@ urllib3==2.5.0
     #   botocore
     #   requests
     #   types-requests
-virtualenv==20.33.0
+virtualenv==20.34.0
     # via pre-commit
 watchdog==6.0.0
     # via mkdocs

{emmet_builders-0.84.9 → emmet_builders-0.84.10}/requirements/ubuntu-latest_py3.12.txt

@@ -8,7 +8,7 @@ aioitertools==0.12.0
     # via maggma
 annotated-types==0.7.0
     # via pydantic
-ase==3.25.0
+ase==3.26.0
     # via pymatgen-analysis-diffusion
 attrs==25.3.0
     # via
@@ -19,9 +19,9 @@ bcrypt==4.3.0
     # via paramiko
 bibtexparser==1.4.3
     # via pymatgen
-boto3==1.40.1
+boto3==1.40.11
     # via maggma
-botocore==1.40.1
+botocore==1.40.11
     # via
     #   boto3
     #   s3transfer
@@ -31,11 +31,11 @@ cffi==1.17.1
     # via
     #   cryptography
     #   pynacl
-charset-normalizer==3.4.2
+charset-normalizer==3.4.3
     # via requests
 contourpy==1.3.3
     # via matplotlib
-cryptography==44.0.1
+cryptography==45.0.6
     # via paramiko
 cycler==0.12.1
     # via matplotlib
@@ -43,11 +43,11 @@ dnspython==2.7.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.84.8
+emmet-core[all]==0.84.9
     # via emmet-builders (setup.py)
-filelock==3.18.0
+filelock==3.19.1
     # via mdanalysis
-fonttools==4.59.0
+fonttools==4.59.1
     # via matplotlib
 griddataformats==1.0.2
     # via mdanalysis
@@ -73,17 +73,17 @@ joblib==1.5.1
     #   scikit-learn
 jsonlines==4.0.0
     # via maggma
-jsonschema==4.25.0
+jsonschema==4.25.1
     # via maggma
 jsonschema-specifications==2025.4.1
     # via jsonschema
-kiwisolver==1.4.8
+kiwisolver==1.4.9
     # via matplotlib
 latexcodec==3.0.1
     # via pybtex
 lazy-loader==0.4
     # via scikit-image
-maggma==0.71.5
+maggma==0.72.0
     # via emmet-builders (setup.py)
 matminer==0.9.3
     # via
@@ -127,7 +127,7 @@ msgpack==1.1.1
     # via
     #   maggma
     #   mmtf-python
-narwhals==2.0.1
+narwhals==2.1.2
     # via plotly
 networkx==3.5
     # via
@@ -151,6 +151,7 @@ numpy==1.26.4
     #   pymatgen
     #   pymatgen-analysis-defects
     #   pymatgen-analysis-diffusion
+    #   pymatgen-io-validation
     #   rdkit
     #   robocrys
     #   scikit-image
@@ -164,7 +165,7 @@ numpy==1.26.4
     #   statsmodels
     #   tidynamics
     #   tifffile
-orjson==3.11.1
+orjson==3.11.2
     # via
     #   maggma
     #   pymatgen
@@ -198,7 +199,7 @@ pillow==11.3.0
     #   matplotlib
     #   rdkit
     #   scikit-image
-plotly==6.2.0
+plotly==6.3.0
     # via
     #   pymatgen
     #   solvation-analysis
@@ -219,12 +220,14 @@ pydantic==2.11.7
     #   emmet-core
     #   maggma
     #   pydantic-settings
+    #   pymatgen-io-validation
 pydantic-core==2.33.2
     # via pydantic
 pydantic-settings==2.10.1
     # via
     #   emmet-core
     #   maggma
+    #   pymatgen-io-validation
 pydash==8.0.5
     # via maggma
 pygments==2.19.2
@@ -237,13 +240,16 @@ pymatgen==2025.6.14
     #   pymatgen-analysis-alloys
     #   pymatgen-analysis-defects
     #   pymatgen-analysis-diffusion
+    #   pymatgen-io-validation
     #   robocrys
-pymatgen-analysis-alloys==0.0.7
+pymatgen-analysis-alloys==0.0.8
     # via emmet-core
 pymatgen-analysis-defects==2025.1.18
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
+pymatgen-io-validation==0.1.0
+    # via emmet-builders (setup.py)
 pymongo==4.10.1
     # via
     #   maggma
@@ -282,9 +288,10 @@ requests==2.32.4
     # via
     #   matminer
     #   pymatgen
+    #   pymatgen-io-validation
 robocrys==0.2.11
     # via emmet-core
-rpds-py==0.26.0
+rpds-py==0.27.0
     # via
     #   jsonschema
     #   referencing
@@ -317,7 +324,7 @@ seaborn==0.13.2
     # via pymatgen-analysis-diffusion
 seekpath==2.1.0
     # via emmet-core
-sentinels==1.0.0
+sentinels==1.1.1
     # via mongomock
 shapely==2.1.1
     # via pymatgen-analysis-alloys