auto dependency upgrades

Author: github-actions

requirements/requirements-ubuntu-latest_py3.11.txt

@@ -2,27 +2,29 @@
 # This file is autogenerated by pip-compile with Python 3.11
 # by the following command:
 #
-#    pip-compile --cert=None --client-cert=None --index-url=None --output-file=requirements/requirements-ubuntu-latest_py3.11.txt --pip-args=None pyproject.toml
+#    pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.11.txt pyproject.toml
 #
 annotated-types==0.7.0
     # via pydantic
 bibtexparser==1.4.3
     # via pymatgen
-boto3==1.40.43
+blake3==1.0.7
+    # via emmet-core
+boto3==1.40.47
     # via mp-api (pyproject.toml)
-botocore==1.40.43
+botocore==1.40.47
     # via
     #   boto3
     #   s3transfer
-certifi==2025.8.3
+certifi==2025.10.5
     # via requests
 charset-normalizer==3.4.3
     # via requests
 contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-emmet-core==0.84.10
+emmet-core==0.85.0
     # via mp-api (pyproject.toml)
 fonttools==4.60.1
     # via matplotlib
@@ -49,7 +51,7 @@ mpmath==1.3.0
     # via sympy
 msgpack==1.1.1
     # via mp-api (pyproject.toml)
-narwhals==2.6.0
+narwhals==2.7.0
     # via plotly
 networkx==3.5
     # via pymatgen
@@ -75,22 +77,22 @@ pandas==2.3.3
     # via pymatgen
 pillow==11.3.0
     # via matplotlib
-plotly==6.3.0
+plotly==6.3.1
     # via pymatgen
 pybtex==0.25.1
     # via emmet-core
-pydantic==2.11.9
+pydantic==2.12.0
     # via
     #   emmet-core
     #   pydantic-settings
     #   pymatgen-io-validation
-pydantic-core==2.33.2
+pydantic-core==2.41.1
     # via pydantic
 pydantic-settings==2.11.0
     # via
     #   emmet-core
     #   pymatgen-io-validation
-pymatgen==2025.6.14
+pymatgen==2025.10.7
     # via
     #   emmet-core
     #   mp-api (pyproject.toml)

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

@@ -2,7 +2,7 @@
 # This file is autogenerated by pip-compile with Python 3.11
 # by the following command:
 #
-#    pip-compile --all-extras --cert=None --client-cert=None --index-url=None --output-file=requirements/requirements-ubuntu-latest_py3.11_extras.txt --pip-args=None pyproject.toml
+#    pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.11_extras.txt pyproject.toml
 #
 alabaster==1.0.0
     # via sphinx
@@ -14,7 +14,7 @@ ase==3.26.0
     # via pymatgen-analysis-diffusion
 asttokens==3.0.0
     # via stack-data
-attrs==25.3.0
+attrs==25.4.0
     # via
     #   jsonschema
     #   referencing
@@ -26,9 +26,9 @@ blake3==1.0.7
     # via emmet-core
 boltons==25.0.0
     # via mpcontribs-client
-boto3==1.40.43
+boto3==1.40.47
     # via mp-api (pyproject.toml)
-botocore==1.40.43
+botocore==1.40.47
     # via
     #   boto3
     #   s3transfer
@@ -38,7 +38,7 @@ bravado-core==6.1.1
     # via bravado
 cachetools==6.2.0
     # via mpcontribs-client
-certifi==2025.8.3
+certifi==2025.10.5
     # via requests
 cfgv==3.4.0
     # via pre-commit
@@ -84,7 +84,7 @@ fonttools==4.60.1
     # via matplotlib
 fqdn==1.5.1
     # via jsonschema
-identify==2.6.14
+identify==2.6.15
     # via pre-commit
 idna==3.10
     # via
@@ -152,15 +152,6 @@ matplotlib-inline==0.1.7
     # via ipython
 mccabe==0.7.0
     # via flake8
-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
 monotonic==1.6
     # via bravado
 monty==2025.3.3
@@ -183,15 +174,14 @@ msgpack==1.1.1
     # via
     #   bravado
     #   bravado-core
-    #   mmtf-python
     #   mp-api (pyproject.toml)
 mypy==1.18.2
     # via mp-api (pyproject.toml)
 mypy-extensions==1.1.0
     # via
     #   mp-api (pyproject.toml)
     #   mypy
-narwhals==2.6.0
+narwhals==2.7.0
     # via plotly
 networkx==3.5
     # via
@@ -229,7 +219,6 @@ packaging==25.0
     # via
     #   lazy-loader
     #   matplotlib
-    #   mdanalysis
     #   plotly
     #   pytest
     #   scikit-image
@@ -242,8 +231,6 @@ pandas==2.3.3
     #   mpcontribs-client
     #   pymatgen
     #   seaborn
-    #   solvation-analysis
-    #   statsmodels
 parso==0.8.5
     # via jedi
 pathspec==0.12.1
@@ -261,7 +248,7 @@ platformdirs==4.4.0
     # via
     #   pint
     #   virtualenv
-plotly==6.3.0
+plotly==6.3.1
     # via
     #   mpcontribs-client
     #   pymatgen
@@ -291,12 +278,12 @@ pycodestyle==2.14.0
     # via
     #   flake8
     #   mp-api (pyproject.toml)
-pydantic==2.11.9
+pydantic==2.12.0
     # via
     #   emmet-core
     #   pydantic-settings
     #   pymatgen-io-validation
-pydantic-core==2.33.2
+pydantic-core==2.41.1
     # via pydantic
 pydantic-settings==2.11.0
     # via
@@ -312,7 +299,7 @@ pygments==2.19.2
     #   sphinx
 pyisemail==2.0.1
     # via mpcontribs-client
-pymatgen==2025.6.14
+pymatgen==2025.10.7
     # via
     #   emmet-core
     #   matminer
@@ -376,8 +363,6 @@ pyyaml==6.0.3
     #   pre-commit
     #   pybtex
     #   swagger-spec-validator
-rdkit==2025.3.6
-    # via solvation-analysis
 referencing==0.36.2
     # via
     #   jsonschema
@@ -484,12 +469,8 @@ 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==2025.9.30
+    # via scikit-learn
+tifffile==2025.10.4
     # via scikit-image
 tqdm==4.67.1
     # via
@@ -552,6 +533,3 @@ webcolors==24.11.1
     # via jsonschema
 wrapt==1.17.3
     # via smart-open
-
-# The following packages are considered to be unsafe in a requirements file:
-# setuptools

requirements/requirements-ubuntu-latest_py3.12.txt

@@ -2,27 +2,29 @@
 # This file is autogenerated by pip-compile with Python 3.12
 # by the following command:
 #
-#    pip-compile --cert=None --client-cert=None --index-url=None --output-file=requirements/requirements-ubuntu-latest_py3.12.txt --pip-args=None pyproject.toml
+#    pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.12.txt pyproject.toml
 #
 annotated-types==0.7.0
     # via pydantic
 bibtexparser==1.4.3
     # via pymatgen
-boto3==1.40.43
+blake3==1.0.7
+    # via emmet-core
+boto3==1.40.47
     # via mp-api (pyproject.toml)
-botocore==1.40.43
+botocore==1.40.47
     # via
     #   boto3
     #   s3transfer
-certifi==2025.8.3
+certifi==2025.10.5
     # via requests
 charset-normalizer==3.4.3
     # via requests
 contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-emmet-core==0.84.10
+emmet-core==0.85.0
     # via mp-api (pyproject.toml)
 fonttools==4.60.1
     # via matplotlib
@@ -49,7 +51,7 @@ mpmath==1.3.0
     # via sympy
 msgpack==1.1.1
     # via mp-api (pyproject.toml)
-narwhals==2.6.0
+narwhals==2.7.0
     # via plotly
 networkx==3.5
     # via pymatgen
@@ -75,22 +77,22 @@ pandas==2.3.3
     # via pymatgen
 pillow==11.3.0
     # via matplotlib
-plotly==6.3.0
+plotly==6.3.1
     # via pymatgen
 pybtex==0.25.1
     # via emmet-core
-pydantic==2.11.9
+pydantic==2.12.0
     # via
     #   emmet-core
     #   pydantic-settings
     #   pymatgen-io-validation
-pydantic-core==2.33.2
+pydantic-core==2.41.1
     # via pydantic
 pydantic-settings==2.11.0
     # via
     #   emmet-core
     #   pymatgen-io-validation
-pymatgen==2025.6.14
+pymatgen==2025.10.7
     # via
     #   emmet-core
     #   mp-api (pyproject.toml)