diff --git a/requirements/requirements-ubuntu-latest_py3.11.txt b/requirements/requirements-ubuntu-latest_py3.11.txt index 52526870c..e35945bd7 100644 --- a/requirements/requirements-ubuntu-latest_py3.11.txt +++ b/requirements/requirements-ubuntu-latest_py3.11.txt @@ -17,13 +17,13 @@ bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen -boto3==1.38.31 +boto3==1.38.37 # via maggma -botocore==1.38.31 +botocore==1.38.37 # via # boto3 # s3transfer -certifi==2025.4.26 +certifi==2025.6.15 # via requests cffi==1.17.1 # via @@ -33,7 +33,7 @@ charset-normalizer==3.4.2 # via requests contourpy==1.3.2 # via matplotlib -cryptography==45.0.3 +cryptography==45.0.4 # via paramiko cycler==0.12.1 # via matplotlib @@ -41,9 +41,9 @@ dnspython==2.7.0 # via # maggma # pymongo -emmet-core==0.84.7rc3 +emmet-core==0.84.8 # via mp-api (pyproject.toml) -fonttools==4.58.1 +fonttools==4.58.4 # via matplotlib idna==3.10 # via requests @@ -77,15 +77,15 @@ monty==2025.3.3 # pymatgen mpmath==1.3.0 # via sympy -msgpack==1.1.0 +msgpack==1.1.1 # via # maggma # mp-api (pyproject.toml) -narwhals==1.41.0 +narwhals==1.43.0 # via plotly networkx==3.5 # via pymatgen -numpy==2.2.6 +numpy==2.3.0 # via # contourpy # maggma @@ -120,7 +120,7 @@ pybtex==0.24.0 # via emmet-core pycparser==2.22 # via cffi -pydantic==2.11.5 +pydantic==2.11.7 # via # emmet-core # maggma @@ -133,7 +133,7 @@ pydantic-settings==2.9.1 # maggma pydash==8.0.5 # via maggma -pymatgen==2025.5.28 +pymatgen==2025.6.14 # via # emmet-core # mp-api (pyproject.toml) @@ -159,13 +159,13 @@ pytz==2025.2 # pandas pyyaml==6.0.2 # via pybtex -pyzmq==26.4.0 +pyzmq==27.0.0 # via maggma referencing==0.36.2 # via # jsonschema # jsonschema-specifications -requests==2.32.3 +requests==2.32.4 # via # mp-api (pyproject.toml) # pymatgen @@ -173,7 +173,7 @@ rpds-py==0.25.1 # via # jsonschema # referencing -ruamel-yaml==0.18.12 +ruamel-yaml==0.18.14 # via # maggma # monty diff --git a/requirements/requirements-ubuntu-latest_py3.11_extras.txt b/requirements/requirements-ubuntu-latest_py3.11_extras.txt index 2f776a117..f1584c710 100644 --- a/requirements/requirements-ubuntu-latest_py3.11_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.11_extras.txt @@ -6,6 +6,8 @@ # aioitertools==0.12.0 # via maggma +alabaster==1.0.0 + # via sphinx annotated-types==0.7.0 # via pydantic arrow==1.3.0 @@ -19,17 +21,19 @@ attrs==25.3.0 # jsonlines # jsonschema # referencing +babel==2.17.0 + # via sphinx bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen boltons==25.0.0 # via mpcontribs-client -boto3==1.38.31 +boto3==1.38.37 # via # maggma # mp-api (pyproject.toml) -botocore==1.38.31 +botocore==1.38.37 # via # boto3 # s3transfer @@ -37,9 +41,9 @@ bravado==12.0.1 # via mpcontribs-client bravado-core==6.1.1 # via bravado -cachetools==6.0.0 +cachetools==6.1.0 # via mpcontribs-client -certifi==2025.4.26 +certifi==2025.6.15 # via requests cffi==1.17.1 # via @@ -51,9 +55,9 @@ charset-normalizer==3.4.2 # via requests contourpy==1.3.2 # via matplotlib -coverage[toml]==7.8.2 +coverage[toml]==7.9.1 # via pytest-cov -cryptography==45.0.3 +cryptography==45.0.4 # via paramiko custodian==2025.5.12 # via mp-api (pyproject.toml) @@ -68,7 +72,9 @@ dnspython==2.7.0 # maggma # pyisemail # pymongo -emmet-core[all]==0.84.7rc3 +docutils==0.21.2 + # via sphinx +emmet-core[all]==0.84.8 # via mp-api (pyproject.toml) executing==2.2.0 # via stack-data @@ -86,7 +92,7 @@ flexcache==0.3 # via pint flexparser==0.4 # via pint -fonttools==4.58.1 +fonttools==4.58.4 # via matplotlib fqdn==1.5.1 # via jsonschema @@ -100,6 +106,8 @@ idna==3.10 # requests imageio==2.37.0 # via scikit-image +imagesize==1.4.1 + # via sphinx importlib-resources==6.5.2 # via swagger-spec-validator inflect==7.5.0 @@ -114,6 +122,8 @@ isoduration==20.11.0 # via jsonschema jedi==0.19.2 # via ipython +jinja2==3.1.6 + # via sphinx jmespath==1.0.1 # via # boto3 @@ -147,6 +157,8 @@ lazy-loader==0.4 # via scikit-image maggma==0.71.5 # via mp-api (pyproject.toml) +markupsafe==3.0.2 + # via jinja2 matminer==0.9.3 # via robocrys matplotlib==3.10.3 @@ -192,20 +204,20 @@ mpmath==1.3.0 # via sympy mrcfile==1.5.4 # via griddataformats -msgpack==1.1.0 +msgpack==1.1.1 # via # bravado # bravado-core # maggma # mmtf-python # mp-api (pyproject.toml) -mypy==1.16.0 +mypy==1.16.1 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==1.41.0 +narwhals==1.43.0 # via plotly networkx==3.5 # via @@ -258,6 +270,7 @@ packaging==25.0 # plotly # pytest # scikit-image + # sphinx # statsmodels palettable==3.3.3 # via pymatgen @@ -298,7 +311,9 @@ plotly==6.1.2 # pymatgen # solvation-analysis pluggy==1.6.0 - # via pytest + # via + # pytest + # pytest-cov pre-commit==4.2.0 # via mp-api (pyproject.toml) prompt-toolkit==3.0.51 @@ -323,7 +338,7 @@ pycodestyle==2.13.0 # mp-api (pyproject.toml) pycparser==2.22 # via cffi -pydantic==2.11.5 +pydantic==2.11.7 # via # emmet-core # maggma @@ -343,9 +358,10 @@ pygments==2.19.1 # ipython # ipython-pygments-lexers # pytest + # sphinx pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2025.5.28 +pymatgen==2025.6.14 # via # emmet-core # matminer @@ -382,7 +398,7 @@ pytest==8.4.0 # solvation-analysis pytest-asyncio==1.0.0 # via mp-api (pyproject.toml) -pytest-cov==6.1.1 +pytest-cov==6.2.1 # via mp-api (pyproject.toml) pytest-mock==3.14.1 # via mp-api (pyproject.toml) @@ -409,15 +425,15 @@ pyyaml==6.0.2 # pre-commit # pybtex # swagger-spec-validator -pyzmq==26.4.0 +pyzmq==27.0.0 # via maggma -rdkit==2025.3.2 +rdkit==2025.3.3 # via solvation-analysis referencing==0.36.2 # via # jsonschema # jsonschema-specifications -requests==2.32.3 +requests==2.32.4 # via # bravado # bravado-core @@ -425,6 +441,7 @@ requests==2.32.3 # mp-api (pyproject.toml) # pymatgen # requests-futures + # sphinx requests-futures==1.0.2 # via mpcontribs-client rfc3339-validator==0.1.4 @@ -433,11 +450,13 @@ rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.11 # via emmet-core +roman-numerals-py==3.1.0 + # via sphinx rpds-py==0.25.1 # via # jsonschema # referencing -ruamel-yaml==0.18.12 +ruamel-yaml==0.18.14 # via # custodian # maggma @@ -487,6 +506,8 @@ six==1.17.0 # rfc3339-validator smart-open==7.1.0 # via mp-api (pyproject.toml) +snowballstemmer==3.0.1 + # via sphinx solvation-analysis==0.4.1 # via emmet-core spglib==2.6.0 @@ -494,6 +515,20 @@ spglib==2.6.0 # pymatgen # robocrys # seekpath +sphinx==8.2.3 + # via mp-api (pyproject.toml) +sphinxcontrib-applehelp==2.0.0 + # via sphinx +sphinxcontrib-devhelp==2.0.0 + # via sphinx +sphinxcontrib-htmlhelp==2.1.0 + # via sphinx +sphinxcontrib-jsmath==1.0.1 + # via sphinx +sphinxcontrib-qthelp==2.0.0 + # via sphinx +sphinxcontrib-serializinghtml==2.0.0 + # via sphinx sshtunnel==0.4.0 # via maggma stack-data==0.6.3 @@ -516,7 +551,7 @@ threadpoolctl==3.6.0 # scikit-learn tidynamics==1.1.2 # via transport-analysis -tifffile==2025.6.1 +tifffile==2025.6.11 # via scikit-image tqdm==4.67.1 # via @@ -535,7 +570,7 @@ typeguard==4.4.3 # via inflect types-python-dateutil==2.9.0.20250516 # via arrow -types-requests==2.32.0.20250602 +types-requests==2.32.4.20250611 # via mp-api (pyproject.toml) types-setuptools==80.9.0.20250529 # via mp-api (pyproject.toml) diff --git a/requirements/requirements-ubuntu-latest_py3.12.txt b/requirements/requirements-ubuntu-latest_py3.12.txt index 7b3cea51f..8de2cc856 100644 --- a/requirements/requirements-ubuntu-latest_py3.12.txt +++ b/requirements/requirements-ubuntu-latest_py3.12.txt @@ -17,13 +17,13 @@ bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen -boto3==1.38.31 +boto3==1.38.37 # via maggma -botocore==1.38.31 +botocore==1.38.37 # via # boto3 # s3transfer -certifi==2025.4.26 +certifi==2025.6.15 # via requests cffi==1.17.1 # via @@ -33,7 +33,7 @@ charset-normalizer==3.4.2 # via requests contourpy==1.3.2 # via matplotlib -cryptography==45.0.3 +cryptography==45.0.4 # via paramiko cycler==0.12.1 # via matplotlib @@ -41,9 +41,9 @@ dnspython==2.7.0 # via # maggma # pymongo -emmet-core==0.84.7rc3 +emmet-core==0.84.8 # via mp-api (pyproject.toml) -fonttools==4.58.1 +fonttools==4.58.4 # via matplotlib idna==3.10 # via requests @@ -77,15 +77,15 @@ monty==2025.3.3 # pymatgen mpmath==1.3.0 # via sympy -msgpack==1.1.0 +msgpack==1.1.1 # via # maggma # mp-api (pyproject.toml) -narwhals==1.41.0 +narwhals==1.43.0 # via plotly networkx==3.5 # via pymatgen -numpy==2.2.6 +numpy==2.3.0 # via # contourpy # maggma @@ -120,7 +120,7 @@ pybtex==0.24.0 # via emmet-core pycparser==2.22 # via cffi -pydantic==2.11.5 +pydantic==2.11.7 # via # emmet-core # maggma @@ -133,7 +133,7 @@ pydantic-settings==2.9.1 # maggma pydash==8.0.5 # via maggma -pymatgen==2025.5.28 +pymatgen==2025.6.14 # via # emmet-core # mp-api (pyproject.toml) @@ -159,13 +159,13 @@ pytz==2025.2 # pandas pyyaml==6.0.2 # via pybtex -pyzmq==26.4.0 +pyzmq==27.0.0 # via maggma referencing==0.36.2 # via # jsonschema # jsonschema-specifications -requests==2.32.3 +requests==2.32.4 # via # mp-api (pyproject.toml) # pymatgen @@ -173,7 +173,7 @@ rpds-py==0.25.1 # via # jsonschema # referencing -ruamel-yaml==0.18.12 +ruamel-yaml==0.18.14 # via # maggma # monty diff --git a/requirements/requirements-ubuntu-latest_py3.12_extras.txt b/requirements/requirements-ubuntu-latest_py3.12_extras.txt index 4f9a6eaa6..bf6951ce0 100644 --- a/requirements/requirements-ubuntu-latest_py3.12_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.12_extras.txt @@ -6,6 +6,8 @@ # aioitertools==0.12.0 # via maggma +alabaster==1.0.0 + # via sphinx annotated-types==0.7.0 # via pydantic arrow==1.3.0 @@ -19,17 +21,19 @@ attrs==25.3.0 # jsonlines # jsonschema # referencing +babel==2.17.0 + # via sphinx bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen boltons==25.0.0 # via mpcontribs-client -boto3==1.38.31 +boto3==1.38.37 # via # maggma # mp-api (pyproject.toml) -botocore==1.38.31 +botocore==1.38.37 # via # boto3 # s3transfer @@ -37,9 +41,9 @@ bravado==12.0.1 # via mpcontribs-client bravado-core==6.1.1 # via bravado -cachetools==6.0.0 +cachetools==6.1.0 # via mpcontribs-client -certifi==2025.4.26 +certifi==2025.6.15 # via requests cffi==1.17.1 # via @@ -51,9 +55,9 @@ charset-normalizer==3.4.2 # via requests contourpy==1.3.2 # via matplotlib -coverage[toml]==7.8.2 +coverage[toml]==7.9.1 # via pytest-cov -cryptography==45.0.3 +cryptography==45.0.4 # via paramiko custodian==2025.5.12 # via mp-api (pyproject.toml) @@ -68,7 +72,9 @@ dnspython==2.7.0 # maggma # pyisemail # pymongo -emmet-core[all]==0.84.7rc3 +docutils==0.21.2 + # via sphinx +emmet-core[all]==0.84.8 # via mp-api (pyproject.toml) executing==2.2.0 # via stack-data @@ -86,7 +92,7 @@ flexcache==0.3 # via pint flexparser==0.4 # via pint -fonttools==4.58.1 +fonttools==4.58.4 # via matplotlib fqdn==1.5.1 # via jsonschema @@ -100,6 +106,8 @@ idna==3.10 # requests imageio==2.37.0 # via scikit-image +imagesize==1.4.1 + # via sphinx importlib-resources==6.5.2 # via swagger-spec-validator inflect==7.5.0 @@ -114,6 +122,8 @@ isoduration==20.11.0 # via jsonschema jedi==0.19.2 # via ipython +jinja2==3.1.6 + # via sphinx jmespath==1.0.1 # via # boto3 @@ -147,6 +157,8 @@ lazy-loader==0.4 # via scikit-image maggma==0.71.5 # via mp-api (pyproject.toml) +markupsafe==3.0.2 + # via jinja2 matminer==0.9.3 # via robocrys matplotlib==3.10.3 @@ -192,20 +204,20 @@ mpmath==1.3.0 # via sympy mrcfile==1.5.4 # via griddataformats -msgpack==1.1.0 +msgpack==1.1.1 # via # bravado # bravado-core # maggma # mmtf-python # mp-api (pyproject.toml) -mypy==1.16.0 +mypy==1.16.1 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==1.41.0 +narwhals==1.43.0 # via plotly networkx==3.5 # via @@ -258,6 +270,7 @@ packaging==25.0 # plotly # pytest # scikit-image + # sphinx # statsmodels palettable==3.3.3 # via pymatgen @@ -298,7 +311,9 @@ plotly==6.1.2 # pymatgen # solvation-analysis pluggy==1.6.0 - # via pytest + # via + # pytest + # pytest-cov pre-commit==4.2.0 # via mp-api (pyproject.toml) prompt-toolkit==3.0.51 @@ -323,7 +338,7 @@ pycodestyle==2.13.0 # mp-api (pyproject.toml) pycparser==2.22 # via cffi -pydantic==2.11.5 +pydantic==2.11.7 # via # emmet-core # maggma @@ -343,9 +358,10 @@ pygments==2.19.1 # ipython # ipython-pygments-lexers # pytest + # sphinx pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2025.5.28 +pymatgen==2025.6.14 # via # emmet-core # matminer @@ -382,7 +398,7 @@ pytest==8.4.0 # solvation-analysis pytest-asyncio==1.0.0 # via mp-api (pyproject.toml) -pytest-cov==6.1.1 +pytest-cov==6.2.1 # via mp-api (pyproject.toml) pytest-mock==3.14.1 # via mp-api (pyproject.toml) @@ -409,15 +425,15 @@ pyyaml==6.0.2 # pre-commit # pybtex # swagger-spec-validator -pyzmq==26.4.0 +pyzmq==27.0.0 # via maggma -rdkit==2025.3.2 +rdkit==2025.3.3 # via solvation-analysis referencing==0.36.2 # via # jsonschema # jsonschema-specifications -requests==2.32.3 +requests==2.32.4 # via # bravado # bravado-core @@ -425,6 +441,7 @@ requests==2.32.3 # mp-api (pyproject.toml) # pymatgen # requests-futures + # sphinx requests-futures==1.0.2 # via mpcontribs-client rfc3339-validator==0.1.4 @@ -433,11 +450,13 @@ rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.11 # via emmet-core +roman-numerals-py==3.1.0 + # via sphinx rpds-py==0.25.1 # via # jsonschema # referencing -ruamel-yaml==0.18.12 +ruamel-yaml==0.18.14 # via # custodian # maggma @@ -487,6 +506,8 @@ six==1.17.0 # rfc3339-validator smart-open==7.1.0 # via mp-api (pyproject.toml) +snowballstemmer==3.0.1 + # via sphinx solvation-analysis==0.4.1 # via emmet-core spglib==2.6.0 @@ -494,6 +515,20 @@ spglib==2.6.0 # pymatgen # robocrys # seekpath +sphinx==8.2.3 + # via mp-api (pyproject.toml) +sphinxcontrib-applehelp==2.0.0 + # via sphinx +sphinxcontrib-devhelp==2.0.0 + # via sphinx +sphinxcontrib-htmlhelp==2.1.0 + # via sphinx +sphinxcontrib-jsmath==1.0.1 + # via sphinx +sphinxcontrib-qthelp==2.0.0 + # via sphinx +sphinxcontrib-serializinghtml==2.0.0 + # via sphinx sshtunnel==0.4.0 # via maggma stack-data==0.6.3 @@ -516,7 +551,7 @@ threadpoolctl==3.6.0 # scikit-learn tidynamics==1.1.2 # via transport-analysis -tifffile==2025.6.1 +tifffile==2025.6.11 # via scikit-image tqdm==4.67.1 # via @@ -535,7 +570,7 @@ typeguard==4.4.3 # via inflect types-python-dateutil==2.9.0.20250516 # via arrow -types-requests==2.32.0.20250602 +types-requests==2.32.4.20250611 # via mp-api (pyproject.toml) types-setuptools==80.9.0.20250529 # via mp-api (pyproject.toml)