Automated dependency upgrades

dev/generate_mcp_tools.py

@@ -59,7 +59,8 @@ def regenerate_tools(
     COORDINATION_GEOMETRIES_IUPAC,
     COORDINATION_GEOMETRIES_NAMES,
 )
-from emmet.core.electronic_structure import BSPathType, DOSProjectionType
+from emmet.core.band_theory import BSPathType
+from emmet.core.electronic_structure import DOSProjectionType
 from emmet.core.grain_boundary import GBTypeEnum
 from emmet.core.mpid import MPID
 from emmet.core.thermo import ThermoType

mp_api/client/mprester.py

@@ -7,7 +7,7 @@
 from functools import cache, lru_cache
 from typing import TYPE_CHECKING
 
-from emmet.core.electronic_structure import BSPathType
+from emmet.core.band_theory import BSPathType
 from emmet.core.mpid import MPID, AlphaID
 from emmet.core.types.enums import ThermoType
 from emmet.core.vasp.calc_types import CalcType
@@ -1231,9 +1231,11 @@ def get_charge_density_from_task_id(
         Returns:
             (Chgcar, (Chgcar, CoreTaskDoc | dict), None): Pymatgen Chgcar object, or tuple with object and CoreTaskDoc
         """
+        # TODO: change when `validate_ids` is updated to return AlphaID
+        validated_id = AlphaID(validate_ids([task_id])[0].split("-")[-1], prefix="mp")
         chgcar = self.materials.tasks._query_open_data(
             bucket="materialsproject-parsed",
-            key=f"chgcars/{validate_ids([task_id])[0]}.json.gz",
+            key=f"chgcars/{validated_id.string}.json.gz",
             decoder=lambda x: load_json(x, deser=True),
         )[0][0]["data"]
 

mp_api/client/routes/materials/electronic_structure.py

@@ -4,8 +4,8 @@
 from collections import defaultdict
 from typing import TYPE_CHECKING
 
+from emmet.core.band_theory import BSPathType
 from emmet.core.electronic_structure import (
-    BSPathType,
     DOSProjectionType,
     ElectronicStructureDoc,
 )

mp_api/client/routes/materials/tasks.py

@@ -96,7 +96,13 @@ def search(
             if isinstance(task_ids, str):
                 task_ids = [task_ids]
 
-            query_params.update({"task_ids": ",".join(validate_ids(task_ids))})
+            # TODO: this should just be a join on `validate_ids`,
+            # once `validate_ids` returns AlphaID
+            validated = validate_ids(task_ids)
+            validated += [
+                str(AlphaID(task_id.split("-")[-1], padlen=8)) for task_id in validated
+            ]
+            query_params["task_ids"] = ",".join(validated)
 
         if formula:
             query_params.update({"formula": formula})

mp_api/mcp/tools.py

@@ -12,7 +12,8 @@
     COORDINATION_GEOMETRIES_IUPAC,
     COORDINATION_GEOMETRIES_NAMES,
 )
-from emmet.core.electronic_structure import BSPathType, DOSProjectionType
+from emmet.core.band_theory import BSPathType
+from emmet.core.electronic_structure import DOSProjectionType
 from emmet.core.grain_boundary import GBTypeEnum
 from emmet.core.mpid import MPID
 from emmet.core.summary import HasProps

requirements/requirements-ubuntu-latest_py3.11.txt

@@ -12,29 +12,29 @@ bibtexparser==1.4.4
     # via pymatgen-core
 blake3==1.0.8
     # via emmet-core
-boto3==1.42.90
+boto3==1.42.94
     # via mp-api (pyproject.toml)
-botocore==1.42.90
+botocore==1.42.94
     # via
     #   boto3
     #   s3transfer
-certifi==2026.2.25
+certifi==2026.4.22
     # via requests
 charset-normalizer==3.4.7
     # via requests
 contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-deltalake==1.5.0
+deltalake==1.5.1
     # via mp-api (pyproject.toml)
 deprecated==1.3.1
     # via deltalake
-emmet-core==0.86.4rc1
+emmet-core==0.86.4rc2
     # via mp-api (pyproject.toml)
 fonttools==4.62.1
     # via matplotlib
-idna==3.11
+idna==3.13
     # via requests
 inflect==7.5.0
     # via emmet-core
@@ -48,7 +48,7 @@ kiwisolver==1.5.0
     # via matplotlib
 latexcodec==3.0.1
     # via pybtex
-lxml==6.0.4
+lxml==6.1.0
     # via pymatgen-core
 matplotlib==3.10.8
     # via pymatgen-core
@@ -61,7 +61,7 @@ more-itertools==11.0.2
     # via inflect
 mpmath==1.3.0
     # via sympy
-narwhals==2.19.0
+narwhals==2.20.0
     # via plotly
 networkx==3.6.1
     # via pymatgen-core
@@ -93,18 +93,18 @@ plotly==6.7.0
     # via pymatgen-core
 pubchempy==1.0.5
     # via emmet-core
-pyarrow==23.0.1
+pyarrow==24.0.0
     # via mp-api (pyproject.toml)
 pybtex==0.26.1
     # via emmet-core
-pydantic==2.13.1
+pydantic==2.13.3
     # via
     #   emmet-core
     #   pydantic-settings
     #   pymatgen-io-validation
-pydantic-core==2.46.1
+pydantic-core==2.46.3
     # via pydantic
-pydantic-settings==2.13.1
+pydantic-settings==2.14.0
     # via
     #   emmet-core
     #   pymatgen-io-validation
@@ -137,7 +137,7 @@ requests==2.33.1
     #   pymatgen-io-validation
 ruamel-yaml==0.19.1
     # via monty
-s3transfer==0.16.0
+s3transfer==0.16.1
     # via boto3
 scipy==1.17.1
     # via pymatgen-core

requirements/requirements-ubuntu-latest_py3.11_extras.txt

@@ -31,7 +31,7 @@ attrs==26.1.0
     #   cyclopts
     #   jsonschema
     #   referencing
-authlib==1.6.11
+authlib==1.7.0
     # via fastmcp
 babel==2.18.0
     # via sphinx
@@ -47,23 +47,23 @@ blinker==1.9.0
     # via flask
 boltons==25.0.0
     # via mpcontribs-client
-boto3==1.42.90
+boto3==1.42.94
     # via mp-api (pyproject.toml)
-botocore==1.42.90
+botocore==1.42.94
     # via
     #   boto3
     #   s3transfer
 bravado==12.0.1
     # via mpcontribs-client
-bravado-core==6.1.1
+bravado-core==6.3.1
     # via bravado
-cachetools==7.0.5
+cachetools==7.0.6
     # via
     #   mpcontribs-client
     #   py-key-value-aio
 caio==0.9.25
     # via aiofile
-certifi==2026.2.25
+certifi==2026.4.22
     # via
     #   httpcore
     #   httpx
@@ -74,7 +74,7 @@ cfgv==3.5.0
     # via pre-commit
 charset-normalizer==3.4.7
     # via requests
-click==8.3.2
+click==8.3.3
     # via
     #   flask
     #   uvicorn
@@ -85,17 +85,18 @@ coverage[toml]==7.13.5
 cryptography==46.0.7
     # via
     #   authlib
+    #   joserfc
     #   pyjwt
     #   secretstorage
 custodian==2025.12.14
     # via mp-api (pyproject.toml)
 cycler==0.12.1
     # via matplotlib
-cyclopts==4.10.2
+cyclopts==4.11.0
     # via fastmcp
 decorator==5.2.1
     # via ipython
-deltalake==1.5.0
+deltalake==1.5.1
     # via mp-api (pyproject.toml)
 deprecated==1.3.1
     # via deltalake
@@ -114,7 +115,7 @@ docutils==0.22.4
     #   sphinx
 email-validator==2.3.0
     # via pydantic
-emmet-core[all]==0.86.4rc1
+emmet-core[all]==0.86.4rc2
     # via mp-api (pyproject.toml)
 exceptiongroup==1.3.1
     # via fastmcp
@@ -124,7 +125,7 @@ executing==2.2.1
     # via stack-data
 fastmcp==3.2.4
     # via mp-api (pyproject.toml)
-filelock==3.28.0
+filelock==3.29.0
     # via
     #   python-discovery
     #   virtualenv
@@ -158,9 +159,9 @@ httpx==0.28.1
     #   mcp
 httpx-sse==0.4.3
     # via mcp
-identify==2.6.18
+identify==2.6.19
     # via pre-commit
-idna==3.11
+idna==3.13
     # via
     #   anyio
     #   email-validator
@@ -213,6 +214,8 @@ joblib==1.5.3
     # via
     #   pymatgen-analysis-diffusion
     #   pymatgen-core
+joserfc==1.6.4
+    # via authlib
 json2html==1.3.0
     # via mpcontribs-client
 jsonpointer==3.1.1
@@ -242,7 +245,7 @@ lazy-loader==0.5
     # via scikit-image
 librt==0.9.0
     # via mypy
-lxml==6.0.4
+lxml==6.1.0
     # via pymatgen-core
 markdown-it-py==4.0.0
     # via rich
@@ -287,13 +290,13 @@ msgpack==1.1.2
     # via
     #   bravado
     #   bravado-core
-mypy==1.20.1
+mypy==1.20.2
     # via mp-api (pyproject.toml)
 mypy-extensions==1.1.0
     # via
     #   mp-api (pyproject.toml)
     #   mypy
-narwhals==2.19.0
+narwhals==2.20.0
     # via plotly
 networkx==3.6.1
     # via
@@ -349,7 +352,7 @@ parso==0.8.6
     # via jedi
 pathable==0.5.0
     # via jsonschema-path
-pathspec==1.0.4
+pathspec==1.1.0
     # via mypy
 pexpect==4.9.0
     # via ipython
@@ -374,7 +377,7 @@ pluggy==1.6.0
     # via
     #   pytest
     #   pytest-cov
-pre-commit==4.5.1
+pre-commit==4.6.0
     # via mp-api (pyproject.toml)
 prompt-toolkit==3.0.52
     # via ipython
@@ -388,7 +391,7 @@ pure-eval==0.2.3
     # via stack-data
 py-key-value-aio[filetree,keyring,memory]==0.4.4
     # via fastmcp
-pyarrow==23.0.1
+pyarrow==24.0.0
     # via
     #   emmet-core
     #   mp-api (pyproject.toml)
@@ -400,17 +403,17 @@ pycodestyle==2.14.0
     #   mp-api (pyproject.toml)
 pycparser==3.0
     # via cffi
-pydantic[email]==2.13.1
+pydantic[email]==2.13.3
     # via
     #   emmet-core
     #   fastmcp
     #   mcp
     #   openapi-pydantic
     #   pydantic-settings
     #   pymatgen-io-validation
-pydantic-core==2.46.1
+pydantic-core==2.46.3
     # via pydantic
-pydantic-settings==2.13.1
+pydantic-settings==2.14.0
     # via
     #   emmet-core
     #   mcp
@@ -448,7 +451,7 @@ pymatgen-core==2026.4.16
     # via pymatgen
 pymatgen-io-validation==0.1.2
     # via emmet-core
-pymongo==4.16.0
+pymongo==4.17.0
     # via
     #   emmet-core
     #   mpcontribs-client
@@ -539,7 +542,7 @@ ruamel-yaml==0.19.1
     # via
     #   custodian
     #   monty
-s3transfer==0.16.0
+s3transfer==0.16.1
     # via boto3
 scikit-image==0.26.0
     # via pymatgen-analysis-defects
@@ -556,7 +559,7 @@ seekpath==2.2.1
     # via emmet-core
 shapely==2.1.2
     # via pymatgen-analysis-alloys
-simplejson==3.20.2
+simplejson==4.1.0
     # via
     #   bravado
     #   bravado-core
@@ -665,7 +668,7 @@ urllib3==2.6.3
     #   botocore
     #   requests
     #   types-requests
-uvicorn==0.44.0
+uvicorn==0.46.0
     # via
     #   fastmcp
     #   mcp