diff --git a/requirements/requirements-ubuntu-latest_py3.11.txt b/requirements/requirements-ubuntu-latest_py3.11.txt index 04ab5d887..c2df31483 100644 --- a/requirements/requirements-ubuntu-latest_py3.11.txt +++ b/requirements/requirements-ubuntu-latest_py3.11.txt @@ -2,19 +2,21 @@ # 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 @@ -22,7 +24,7 @@ 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) diff --git a/requirements/requirements-ubuntu-latest_py3.11_extras.txt b/requirements/requirements-ubuntu-latest_py3.11_extras.txt index eb59dd2a3..c052e125d 100644 --- a/requirements/requirements-ubuntu-latest_py3.11_extras.txt +++ b/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 @@ -183,7 +174,6 @@ msgpack==1.1.1 # via # bravado # bravado-core - # mmtf-python # mp-api (pyproject.toml) mypy==1.18.2 # via mp-api (pyproject.toml) @@ -191,7 +181,7 @@ 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 diff --git a/requirements/requirements-ubuntu-latest_py3.12.txt b/requirements/requirements-ubuntu-latest_py3.12.txt index 39d7f6b93..cfd1ab126 100644 --- a/requirements/requirements-ubuntu-latest_py3.12.txt +++ b/requirements/requirements-ubuntu-latest_py3.12.txt @@ -2,19 +2,21 @@ # 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 @@ -22,7 +24,7 @@ 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) diff --git a/requirements/requirements-ubuntu-latest_py3.12_extras.txt b/requirements/requirements-ubuntu-latest_py3.12_extras.txt index 2fefcc2f1..b4dcd59c3 100644 --- a/requirements/requirements-ubuntu-latest_py3.12_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.12_extras.txt @@ -2,7 +2,7 @@ # This file is autogenerated by pip-compile with Python 3.12 # by the following command: # -# pip-compile --all-extras --cert=None --client-cert=None --index-url=None --output-file=requirements/requirements-ubuntu-latest_py3.12_extras.txt --pip-args=None pyproject.toml +# pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.12_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 @@ -183,7 +174,6 @@ msgpack==1.1.1 # via # bravado # bravado-core - # mmtf-python # mp-api (pyproject.toml) mypy==1.18.2 # via mp-api (pyproject.toml) @@ -191,7 +181,7 @@ 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 @@ -550,6 +531,3 @@ 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