From 229fed6926b6e3d92fdd485b10e719e815a32c30 Mon Sep 17 00:00:00 2001 From: github-actions Date: Thu, 8 Oct 2026 23:02:35 +0000 Subject: [PATCH] auto dependency upgrades --- .../requirements-ubuntu-latest_py3.12.txt | 26 ++-- ...quirements-ubuntu-latest_py3.12_extras.txt | 118 +++++++++--------- .../requirements-ubuntu-latest_py3.13.txt | 26 ++-- ...quirements-ubuntu-latest_py3.13_extras.txt | 118 +++++++++--------- .../requirements-ubuntu-latest_py3.14.txt | 26 ++-- ...quirements-ubuntu-latest_py3.14_extras.txt | 118 +++++++++--------- 6 files changed, 234 insertions(+), 198 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.12.txt b/requirements/requirements-ubuntu-latest_py3.12.txt index e353464f..8edf03c6 100644 --- a/requirements/requirements-ubuntu-latest_py3.12.txt +++ b/requirements/requirements-ubuntu-latest_py3.12.txt @@ -2,7 +2,7 @@ # This file is autogenerated by pip-compile with Python 3.12 # by the following command: # -# pip-compile --no-index --output-file=requirements/requirements-ubuntu-latest_py3.12.txt pyproject.toml +# pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.12.txt pyproject.toml # annotated-types==0.8.0 # via pydantic @@ -10,11 +10,11 @@ arro3-core==0.9.0 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.10 +blake3==1.0.11 # via emmet-core -boto3==1.43.108 +boto3==1.43.110 # via mp-api (pyproject.toml) -botocore==1.43.108 +botocore==1.43.110 # via # boto3 # s3transfer @@ -32,7 +32,7 @@ deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==3.0.0 # via deltalake -emmet-core==0.87.3rc2 +emmet-core==0.88.0rc0 # via mp-api (pyproject.toml) fonttools==4.66.1 # via matplotlib @@ -52,8 +52,12 @@ latexcodec==3.0.1 # via pybtex lxml==6.1.3 # via pymatgen-core +markdown-it-py==4.2.0 + # via rich matplotlib==3.11.2 # via pymatgen-core +mdurl==0.1.2 + # via markdown-it-py monty==2026.7.16 # via # emmet-core @@ -77,7 +81,7 @@ numpy==2.5.3 # pymatgen-io-validation # scipy # spglib -orjson==3.12.0 +orjson==3.13.0 # via # mp-api (pyproject.toml) # pymatgen-core @@ -99,17 +103,19 @@ pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core -pydantic==2.13.5 +pydantic==2.14.0 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.5 +pydantic-core==2.50.0 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation +pygments==2.21.0 + # via rich pymatgen==2026.9.24 # via # emmet-core @@ -139,6 +145,8 @@ requests==2.34.2 # mp-api (pyproject.toml) # pymatgen-core # pymatgen-io-validation +rich==15.0.0 + # via mp-api (pyproject.toml) ruamel-yaml==0.19.1 # via monty s3transfer==0.19.2 @@ -159,8 +167,6 @@ typeguard==4.6.0 # via inflect typing-extensions==4.16.0 # via - # emmet-core - # mp-api (pyproject.toml) # pydantic # pydantic-core # spglib diff --git a/requirements/requirements-ubuntu-latest_py3.12_extras.txt b/requirements/requirements-ubuntu-latest_py3.12_extras.txt index 711b9139..70056458 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 --no-index --output-file=requirements/requirements-ubuntu-latest_py3.12_extras.txt pyproject.toml +# pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.12_extras.txt pyproject.toml # aiofile==3.12.3 # via py-key-value-aio @@ -24,7 +24,7 @@ arrow==1.4.0 # via isoduration ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.12.0 +ast-serialize==0.12.1 # via mypy asttokens==3.0.2 # via stack-data @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.10 +blake3==1.0.11 # via emmet-core blinker==1.9.0 # via flask boltons==26.2.0 # via mp-api (pyproject.toml) -boto3==1.43.108 +boto3==1.43.110 # via mp-api (pyproject.toml) -botocore==1.43.108 +botocore==1.43.110 # via # boto3 # s3transfer @@ -58,7 +58,7 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.2.0 +cachetools==7.2.1 # via # mp-api (pyproject.toml) # py-key-value-aio @@ -78,6 +78,8 @@ click==8.5.0 # uvicorn cloudpickle==3.1.2 # via joblib +comm==0.2.3 + # via ipywidgets contourpy==1.4.0 # via matplotlib coverage[toml]==7.16.2 @@ -89,10 +91,12 @@ cryptography==50.0.2 # pyjwt # secretstorage custodian==2025.12.14 - # via mp-api (pyproject.toml) + # via + # emmet-core + # mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==5.1.1 +cyclopts==5.2.0 # via fastmcp-slim deltalake==1.5.1 # via mp-api (pyproject.toml) @@ -111,7 +115,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.3rc2 +emmet-core[all]==0.88.0rc0 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -119,18 +123,16 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==4.0.10 +fastmcp==4.1.0 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==4.0.10 +fastmcp-slim[client,server]==4.1.0 # via fastmcp -filelock==4.0.9 +filelock==4.0.12 # via # python-discovery # virtualenv filetype==1.2.0 # via mp-api (pyproject.toml) -flake8==7.4.1 - # via mp-api (pyproject.toml) flask==3.1.3 # via mp-api (pyproject.toml) flexcache==0.3 @@ -141,7 +143,7 @@ fonttools==4.66.1 # via matplotlib fqdn==1.6.0 # via jsonschema -griffelib==2.3.0 +griffelib==2.3.2 # via fastmcp-slim h11==0.16.0 # via @@ -164,7 +166,7 @@ idna==3.20 # httpx2 # jsonschema # requests -imageio==2.38.0 +imageio==2.38.1 # via scikit-image imagesize==2.0.1 # via sphinx @@ -172,12 +174,16 @@ importlib-resources==7.1.0 # via swagger-spec-validator inflect==7.5.0 # via emmet-core -iniconfig==2.3.0 +iniconfig==2.3.1 # via pytest ipython==9.17.1 - # via mp-api (pyproject.toml) + # via + # ipywidgets + # mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython +ipywidgets==8.1.9 + # via mp-api (pyproject.toml) isoduration==20.11.0 # via jsonschema itsdangerous==2.2.0 @@ -212,7 +218,7 @@ joserfc==1.7.5 # fastmcp-slim json2html==1.3.0 # via mp-api (pyproject.toml) -jsonpointer==3.1.1 +jsonpointer==3.2.0 # via jsonschema jsonref==1.1.0 # via @@ -227,12 +233,16 @@ jsonschema-path==0.5.0 # via fastmcp-slim jsonschema-specifications==2025.9.1 # via jsonschema +jupyterlab-widgets==3.0.17 + # via ipywidgets keyring==25.7.0 # via py-key-value-aio kiwisolver==1.5.1 # via matplotlib lark==1.3.1 - # via rfc3987-syntax + # via + # optimade + # rfc3987-syntax latexcodec==3.0.1 # via pybtex lazy-loader==0.6 @@ -245,7 +255,7 @@ lxml==6.1.3 # via pymatgen-core markdown-it-py==4.2.0 # via rich -markupsafe==3.0.3 +markupsafe==3.0.4 # via # flask # jinja2 @@ -258,11 +268,9 @@ matplotlib==3.11.2 # seaborn matplotlib-inline==0.2.2 # via ipython -mccabe==0.7.0 - # via flake8 -mcp==2.2.0 +mcp==2.3.0 # via fastmcp-slim -mcp-types==2.2.0 +mcp-types==2.3.0 # via # fastmcp-slim # mcp @@ -292,9 +300,7 @@ msgpack==1.2.3 mypy==2.4.0 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 - # via - # mp-api (pyproject.toml) - # mypy + # via mypy narwhals==2.26.0 # via plotly networkx==3.7 @@ -328,11 +334,13 @@ numpy==2.5.3 # tifffile openapi-pydantic==0.6.0 # via fastmcp-slim -opentelemetry-api==1.45.0 +opentelemetry-api==1.45.1 # via # fastmcp-slim # mcp -orjson==3.12.0 +optimade==1.5.0 + # via emmet-core +orjson==3.13.0 # via # mp-api (pyproject.toml) # pymatgen-core @@ -361,7 +369,7 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.8.0 +phonopy==4.8.1 # via emmet-core phonors==0.6.0 # via phonopy @@ -372,7 +380,7 @@ pillow==12.3.0 # scikit-image pint==0.26.1 # via mp-api (pyproject.toml) -platformdirs==4.12.2 +platformdirs==4.12.4 # via # fastmcp-slim # pint @@ -407,30 +415,26 @@ pybtex==0.26.1 # via emmet-core pycodcif==3.0.1 # via emmet-core -pycodestyle==2.15.0 - # via - # flake8 - # mp-api (pyproject.toml) -pycparser==3.0 +pycparser==3.1 # via cffi -pydantic[email]==2.13.5 +pydantic[email]==2.14.0 # via # emmet-core # fastmcp-slim # mcp # mcp-types # openapi-pydantic + # optimade # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.5 +pydantic-core==2.50.0 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim + # optimade # pymatgen-io-validation -pyflakes==4.0.1 - # via flake8 pygments==2.21.0 # via # ipython @@ -465,7 +469,7 @@ pymatgen-core==2026.10.2 # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pymongo==4.18.2 +pymongo==4.18.3 # via # emmet-core # mp-api (pyproject.toml) @@ -508,7 +512,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.4 +pytz==2026.5 # via bravado-core pyyaml==6.0.3 # via @@ -516,6 +520,7 @@ pyyaml==6.0.3 # bravado-core # fastmcp-slim # jsonschema-path + # optimade # phonopy # pre-commit # pybtex @@ -530,6 +535,7 @@ requests==2.34.2 # bravado # bravado-core # mp-api (pyproject.toml) + # optimade # pymatgen-core # pymatgen-io-validation # requests-futures @@ -546,12 +552,13 @@ rich==15.0.0 # via # cyclopts # fastmcp-slim + # mp-api (pyproject.toml) # rich-rst rich-rst==2.2.0 # via cyclopts roman-numerals==4.1.0 # via sphinx -rpds-py==2026.6.3 +rpds-py==2026.9.1 # via # jsonschema # referencing @@ -575,9 +582,9 @@ secretstorage==3.5.0 # via keyring seekpath==2.2.2 # via emmet-core -shapely==2.1.2 +shapely==2.2.0 # via pymatgen-analysis-alloys -simplejson==4.1.2 +simplejson==4.2.0 # via # bravado # bravado-core @@ -635,6 +642,7 @@ tqdm==4.70.1 traitlets==5.16.1 # via # ipython + # ipywidgets # matplotlib-inline truststore==0.10.4 # via @@ -642,18 +650,15 @@ truststore==0.10.4 # httpx2 typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260906 - # via mp-api (pyproject.toml) -types-setuptools==84.0.0.20260812 +types-requests==2.33.0.20261006 # via mp-api (pyproject.toml) -types-tqdm==4.70.0.20260906 +types-setuptools==84.0.0.20261006 # via mp-api (pyproject.toml) typing-extensions==4.16.0 # via # anyio # ase # bravado - # emmet-core # exceptiongroup # fastmcp-slim # flexcache @@ -661,7 +666,6 @@ typing-extensions==4.16.0 # httpx2 # mcp # mcp-types - # mp-api (pyproject.toml) # mypy # opentelemetry-api # pint @@ -680,7 +684,7 @@ typing-inspection==0.4.4 # mcp # pydantic # pydantic-settings -tzdata==2026.4 +tzdata==2026.5 # via arrow uncalled-for==0.4.0 # via fastmcp-slim @@ -697,17 +701,19 @@ uvicorn==0.54.0 # via # fastmcp-slim # mcp -virtualenv==21.14.5 +virtualenv==21.14.6 # via pre-commit watchfiles==1.3.0 # via fastmcp-slim -wcwidth==0.9.1 +wcwidth==0.9.2 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==17.1 +websockets==17.2 # via fastmcp-slim werkzeug==3.1.9 # via flask +widgetsnbextension==4.0.16 + # via ipywidgets wrapt==2.5.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.13.txt b/requirements/requirements-ubuntu-latest_py3.13.txt index 742dd107..89917b68 100644 --- a/requirements/requirements-ubuntu-latest_py3.13.txt +++ b/requirements/requirements-ubuntu-latest_py3.13.txt @@ -2,7 +2,7 @@ # This file is autogenerated by pip-compile with Python 3.13 # by the following command: # -# pip-compile --no-index --output-file=requirements/requirements-ubuntu-latest_py3.13.txt pyproject.toml +# pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.13.txt pyproject.toml # annotated-types==0.8.0 # via pydantic @@ -10,11 +10,11 @@ arro3-core==0.9.0 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.10 +blake3==1.0.11 # via emmet-core -boto3==1.43.108 +boto3==1.43.110 # via mp-api (pyproject.toml) -botocore==1.43.108 +botocore==1.43.110 # via # boto3 # s3transfer @@ -32,7 +32,7 @@ deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==3.0.0 # via deltalake -emmet-core==0.87.3rc2 +emmet-core==0.88.0rc0 # via mp-api (pyproject.toml) fonttools==4.66.1 # via matplotlib @@ -52,8 +52,12 @@ latexcodec==3.0.1 # via pybtex lxml==6.1.3 # via pymatgen-core +markdown-it-py==4.2.0 + # via rich matplotlib==3.11.2 # via pymatgen-core +mdurl==0.1.2 + # via markdown-it-py monty==2026.7.16 # via # emmet-core @@ -77,7 +81,7 @@ numpy==2.5.3 # pymatgen-io-validation # scipy # spglib -orjson==3.12.0 +orjson==3.13.0 # via # mp-api (pyproject.toml) # pymatgen-core @@ -99,17 +103,19 @@ pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core -pydantic==2.13.5 +pydantic==2.14.0 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.5 +pydantic-core==2.50.0 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation +pygments==2.21.0 + # via rich pymatgen==2026.9.24 # via # emmet-core @@ -139,6 +145,8 @@ requests==2.34.2 # mp-api (pyproject.toml) # pymatgen-core # pymatgen-io-validation +rich==15.0.0 + # via mp-api (pyproject.toml) ruamel-yaml==0.19.1 # via monty s3transfer==0.19.2 @@ -159,8 +167,6 @@ typeguard==4.6.0 # via inflect typing-extensions==4.16.0 # via - # emmet-core - # mp-api (pyproject.toml) # pydantic # pydantic-core # typeguard diff --git a/requirements/requirements-ubuntu-latest_py3.13_extras.txt b/requirements/requirements-ubuntu-latest_py3.13_extras.txt index a1c03312..b5445d18 100644 --- a/requirements/requirements-ubuntu-latest_py3.13_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.13_extras.txt @@ -2,7 +2,7 @@ # This file is autogenerated by pip-compile with Python 3.13 # by the following command: # -# pip-compile --all-extras --no-index --output-file=requirements/requirements-ubuntu-latest_py3.13_extras.txt pyproject.toml +# pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.13_extras.txt pyproject.toml # aiofile==3.12.3 # via py-key-value-aio @@ -24,7 +24,7 @@ arrow==1.4.0 # via isoduration ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.12.0 +ast-serialize==0.12.1 # via mypy asttokens==3.0.2 # via stack-data @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.10 +blake3==1.0.11 # via emmet-core blinker==1.9.0 # via flask boltons==26.2.0 # via mp-api (pyproject.toml) -boto3==1.43.108 +boto3==1.43.110 # via mp-api (pyproject.toml) -botocore==1.43.108 +botocore==1.43.110 # via # boto3 # s3transfer @@ -58,7 +58,7 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.2.0 +cachetools==7.2.1 # via # mp-api (pyproject.toml) # py-key-value-aio @@ -78,6 +78,8 @@ click==8.5.0 # uvicorn cloudpickle==3.1.2 # via joblib +comm==0.2.3 + # via ipywidgets contourpy==1.4.0 # via matplotlib coverage[toml]==7.16.2 @@ -89,10 +91,12 @@ cryptography==50.0.2 # pyjwt # secretstorage custodian==2025.12.14 - # via mp-api (pyproject.toml) + # via + # emmet-core + # mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==5.1.1 +cyclopts==5.2.0 # via fastmcp-slim deltalake==1.5.1 # via mp-api (pyproject.toml) @@ -111,7 +115,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.3rc2 +emmet-core[all]==0.88.0rc0 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -119,18 +123,16 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==4.0.10 +fastmcp==4.1.0 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==4.0.10 +fastmcp-slim[client,server]==4.1.0 # via fastmcp -filelock==4.0.9 +filelock==4.0.12 # via # python-discovery # virtualenv filetype==1.2.0 # via mp-api (pyproject.toml) -flake8==7.4.1 - # via mp-api (pyproject.toml) flask==3.1.3 # via mp-api (pyproject.toml) flexcache==0.3 @@ -141,7 +143,7 @@ fonttools==4.66.1 # via matplotlib fqdn==1.6.0 # via jsonschema -griffelib==2.3.0 +griffelib==2.3.2 # via fastmcp-slim h11==0.16.0 # via @@ -164,7 +166,7 @@ idna==3.20 # httpx2 # jsonschema # requests -imageio==2.38.0 +imageio==2.38.1 # via scikit-image imagesize==2.0.1 # via sphinx @@ -172,12 +174,16 @@ importlib-resources==7.1.0 # via swagger-spec-validator inflect==7.5.0 # via emmet-core -iniconfig==2.3.0 +iniconfig==2.3.1 # via pytest ipython==9.17.1 - # via mp-api (pyproject.toml) + # via + # ipywidgets + # mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython +ipywidgets==8.1.9 + # via mp-api (pyproject.toml) isoduration==20.11.0 # via jsonschema itsdangerous==2.2.0 @@ -212,7 +218,7 @@ joserfc==1.7.5 # fastmcp-slim json2html==1.3.0 # via mp-api (pyproject.toml) -jsonpointer==3.1.1 +jsonpointer==3.2.0 # via jsonschema jsonref==1.1.0 # via @@ -227,12 +233,16 @@ jsonschema-path==0.5.0 # via fastmcp-slim jsonschema-specifications==2025.9.1 # via jsonschema +jupyterlab-widgets==3.0.17 + # via ipywidgets keyring==25.7.0 # via py-key-value-aio kiwisolver==1.5.1 # via matplotlib lark==1.3.1 - # via rfc3987-syntax + # via + # optimade + # rfc3987-syntax latexcodec==3.0.1 # via pybtex lazy-loader==0.6 @@ -245,7 +255,7 @@ lxml==6.1.3 # via pymatgen-core markdown-it-py==4.2.0 # via rich -markupsafe==3.0.3 +markupsafe==3.0.4 # via # flask # jinja2 @@ -258,11 +268,9 @@ matplotlib==3.11.2 # seaborn matplotlib-inline==0.2.2 # via ipython -mccabe==0.7.0 - # via flake8 -mcp==2.2.0 +mcp==2.3.0 # via fastmcp-slim -mcp-types==2.2.0 +mcp-types==2.3.0 # via # fastmcp-slim # mcp @@ -292,9 +300,7 @@ msgpack==1.2.3 mypy==2.4.0 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 - # via - # mp-api (pyproject.toml) - # mypy + # via mypy narwhals==2.26.0 # via plotly networkx==3.7 @@ -328,11 +334,13 @@ numpy==2.5.3 # tifffile openapi-pydantic==0.6.0 # via fastmcp-slim -opentelemetry-api==1.45.0 +opentelemetry-api==1.45.1 # via # fastmcp-slim # mcp -orjson==3.12.0 +optimade==1.5.0 + # via emmet-core +orjson==3.13.0 # via # mp-api (pyproject.toml) # pymatgen-core @@ -361,7 +369,7 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.8.0 +phonopy==4.8.1 # via emmet-core phonors==0.6.0 # via phonopy @@ -372,7 +380,7 @@ pillow==12.3.0 # scikit-image pint==0.26.1 # via mp-api (pyproject.toml) -platformdirs==4.12.2 +platformdirs==4.12.4 # via # fastmcp-slim # pint @@ -407,30 +415,26 @@ pybtex==0.26.1 # via emmet-core pycodcif==3.0.1 # via emmet-core -pycodestyle==2.15.0 - # via - # flake8 - # mp-api (pyproject.toml) -pycparser==3.0 +pycparser==3.1 # via cffi -pydantic[email]==2.13.5 +pydantic[email]==2.14.0 # via # emmet-core # fastmcp-slim # mcp # mcp-types # openapi-pydantic + # optimade # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.5 +pydantic-core==2.50.0 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim + # optimade # pymatgen-io-validation -pyflakes==4.0.1 - # via flake8 pygments==2.21.0 # via # ipython @@ -465,7 +469,7 @@ pymatgen-core==2026.10.2 # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pymongo==4.18.2 +pymongo==4.18.3 # via # emmet-core # mp-api (pyproject.toml) @@ -508,7 +512,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.4 +pytz==2026.5 # via bravado-core pyyaml==6.0.3 # via @@ -516,6 +520,7 @@ pyyaml==6.0.3 # bravado-core # fastmcp-slim # jsonschema-path + # optimade # phonopy # pre-commit # pybtex @@ -530,6 +535,7 @@ requests==2.34.2 # bravado # bravado-core # mp-api (pyproject.toml) + # optimade # pymatgen-core # pymatgen-io-validation # requests-futures @@ -546,12 +552,13 @@ rich==15.0.0 # via # cyclopts # fastmcp-slim + # mp-api (pyproject.toml) # rich-rst rich-rst==2.2.0 # via cyclopts roman-numerals==4.1.0 # via sphinx -rpds-py==2026.6.3 +rpds-py==2026.9.1 # via # jsonschema # referencing @@ -575,9 +582,9 @@ secretstorage==3.5.0 # via keyring seekpath==2.2.2 # via emmet-core -shapely==2.1.2 +shapely==2.2.0 # via pymatgen-analysis-alloys -simplejson==4.1.2 +simplejson==4.2.0 # via # bravado # bravado-core @@ -635,6 +642,7 @@ tqdm==4.70.1 traitlets==5.16.1 # via # ipython + # ipywidgets # matplotlib-inline truststore==0.10.4 # via @@ -642,24 +650,20 @@ truststore==0.10.4 # httpx2 typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260906 - # via mp-api (pyproject.toml) -types-setuptools==84.0.0.20260812 +types-requests==2.33.0.20261006 # via mp-api (pyproject.toml) -types-tqdm==4.70.0.20260906 +types-setuptools==84.0.0.20261006 # via mp-api (pyproject.toml) typing-extensions==4.16.0 # via # anyio # ase # bravado - # emmet-core # fastmcp-slim # flexcache # flexparser # mcp # mcp-types - # mp-api (pyproject.toml) # mypy # opentelemetry-api # pint @@ -674,7 +678,7 @@ typing-inspection==0.4.4 # mcp # pydantic # pydantic-settings -tzdata==2026.4 +tzdata==2026.5 # via arrow uncalled-for==0.4.0 # via fastmcp-slim @@ -691,17 +695,19 @@ uvicorn==0.54.0 # via # fastmcp-slim # mcp -virtualenv==21.14.5 +virtualenv==21.14.6 # via pre-commit watchfiles==1.3.0 # via fastmcp-slim -wcwidth==0.9.1 +wcwidth==0.9.2 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==17.1 +websockets==17.2 # via fastmcp-slim werkzeug==3.1.9 # via flask +widgetsnbextension==4.0.16 + # via ipywidgets wrapt==2.5.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.14.txt b/requirements/requirements-ubuntu-latest_py3.14.txt index c1e1d61f..67976bb5 100644 --- a/requirements/requirements-ubuntu-latest_py3.14.txt +++ b/requirements/requirements-ubuntu-latest_py3.14.txt @@ -2,7 +2,7 @@ # This file is autogenerated by pip-compile with Python 3.14 # by the following command: # -# pip-compile --no-index --output-file=requirements/requirements-ubuntu-latest_py3.14.txt pyproject.toml +# pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.14.txt pyproject.toml # annotated-types==0.8.0 # via pydantic @@ -10,11 +10,11 @@ arro3-core==0.9.0 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.10 +blake3==1.0.11 # via emmet-core -boto3==1.43.108 +boto3==1.43.110 # via mp-api (pyproject.toml) -botocore==1.43.108 +botocore==1.43.110 # via # boto3 # s3transfer @@ -32,7 +32,7 @@ deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==3.0.0 # via deltalake -emmet-core==0.87.3rc2 +emmet-core==0.88.0rc0 # via mp-api (pyproject.toml) fonttools==4.66.1 # via matplotlib @@ -52,8 +52,12 @@ latexcodec==3.0.1 # via pybtex lxml==6.1.3 # via pymatgen-core +markdown-it-py==4.2.0 + # via rich matplotlib==3.11.2 # via pymatgen-core +mdurl==0.1.2 + # via markdown-it-py monty==2026.7.16 # via # emmet-core @@ -77,7 +81,7 @@ numpy==2.5.3 # pymatgen-io-validation # scipy # spglib -orjson==3.12.0 +orjson==3.13.0 # via # mp-api (pyproject.toml) # pymatgen-core @@ -99,17 +103,19 @@ pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core -pydantic==2.13.5 +pydantic==2.14.0 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.5 +pydantic-core==2.50.0 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation +pygments==2.21.0 + # via rich pymatgen==2026.9.24 # via # emmet-core @@ -139,6 +145,8 @@ requests==2.34.2 # mp-api (pyproject.toml) # pymatgen-core # pymatgen-io-validation +rich==15.0.0 + # via mp-api (pyproject.toml) ruamel-yaml==0.19.1 # via monty s3transfer==0.19.2 @@ -159,8 +167,6 @@ typeguard==4.6.0 # via inflect typing-extensions==4.16.0 # via - # emmet-core - # mp-api (pyproject.toml) # pydantic # pydantic-core # typeguard diff --git a/requirements/requirements-ubuntu-latest_py3.14_extras.txt b/requirements/requirements-ubuntu-latest_py3.14_extras.txt index 5db9a741..a349212f 100644 --- a/requirements/requirements-ubuntu-latest_py3.14_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.14_extras.txt @@ -2,7 +2,7 @@ # This file is autogenerated by pip-compile with Python 3.14 # by the following command: # -# pip-compile --all-extras --no-index --output-file=requirements/requirements-ubuntu-latest_py3.14_extras.txt pyproject.toml +# pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.14_extras.txt pyproject.toml # aiofile==3.12.3 # via py-key-value-aio @@ -24,7 +24,7 @@ arrow==1.4.0 # via isoduration ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.12.0 +ast-serialize==0.12.1 # via mypy asttokens==3.0.2 # via stack-data @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.10 +blake3==1.0.11 # via emmet-core blinker==1.9.0 # via flask boltons==26.2.0 # via mp-api (pyproject.toml) -boto3==1.43.108 +boto3==1.43.110 # via mp-api (pyproject.toml) -botocore==1.43.108 +botocore==1.43.110 # via # boto3 # s3transfer @@ -58,7 +58,7 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.2.0 +cachetools==7.2.1 # via # mp-api (pyproject.toml) # py-key-value-aio @@ -78,6 +78,8 @@ click==8.5.0 # uvicorn cloudpickle==3.1.2 # via joblib +comm==0.2.3 + # via ipywidgets contourpy==1.4.0 # via matplotlib coverage[toml]==7.16.2 @@ -89,10 +91,12 @@ cryptography==50.0.2 # pyjwt # secretstorage custodian==2025.12.14 - # via mp-api (pyproject.toml) + # via + # emmet-core + # mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==5.1.1 +cyclopts==5.2.0 # via fastmcp-slim deltalake==1.5.1 # via mp-api (pyproject.toml) @@ -111,7 +115,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.3rc2 +emmet-core[all]==0.88.0rc0 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -119,18 +123,16 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==4.0.10 +fastmcp==4.1.0 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==4.0.10 +fastmcp-slim[client,server]==4.1.0 # via fastmcp -filelock==4.0.9 +filelock==4.0.12 # via # python-discovery # virtualenv filetype==1.2.0 # via mp-api (pyproject.toml) -flake8==7.4.1 - # via mp-api (pyproject.toml) flask==3.1.3 # via mp-api (pyproject.toml) flexcache==0.3 @@ -141,7 +143,7 @@ fonttools==4.66.1 # via matplotlib fqdn==1.6.0 # via jsonschema -griffelib==2.3.0 +griffelib==2.3.2 # via fastmcp-slim h11==0.16.0 # via @@ -164,7 +166,7 @@ idna==3.20 # httpx2 # jsonschema # requests -imageio==2.38.0 +imageio==2.38.1 # via scikit-image imagesize==2.0.1 # via sphinx @@ -172,12 +174,16 @@ importlib-resources==7.1.0 # via swagger-spec-validator inflect==7.5.0 # via emmet-core -iniconfig==2.3.0 +iniconfig==2.3.1 # via pytest ipython==9.17.1 - # via mp-api (pyproject.toml) + # via + # ipywidgets + # mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython +ipywidgets==8.1.9 + # via mp-api (pyproject.toml) isoduration==20.11.0 # via jsonschema itsdangerous==2.2.0 @@ -212,7 +218,7 @@ joserfc==1.7.5 # fastmcp-slim json2html==1.3.0 # via mp-api (pyproject.toml) -jsonpointer==3.1.1 +jsonpointer==3.2.0 # via jsonschema jsonref==1.1.0 # via @@ -227,12 +233,16 @@ jsonschema-path==0.5.0 # via fastmcp-slim jsonschema-specifications==2025.9.1 # via jsonschema +jupyterlab-widgets==3.0.17 + # via ipywidgets keyring==25.7.0 # via py-key-value-aio kiwisolver==1.5.1 # via matplotlib lark==1.3.1 - # via rfc3987-syntax + # via + # optimade + # rfc3987-syntax latexcodec==3.0.1 # via pybtex lazy-loader==0.6 @@ -245,7 +255,7 @@ lxml==6.1.3 # via pymatgen-core markdown-it-py==4.2.0 # via rich -markupsafe==3.0.3 +markupsafe==3.0.4 # via # flask # jinja2 @@ -258,11 +268,9 @@ matplotlib==3.11.2 # seaborn matplotlib-inline==0.2.2 # via ipython -mccabe==0.7.0 - # via flake8 -mcp==2.2.0 +mcp==2.3.0 # via fastmcp-slim -mcp-types==2.2.0 +mcp-types==2.3.0 # via # fastmcp-slim # mcp @@ -292,9 +300,7 @@ msgpack==1.2.3 mypy==2.4.0 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 - # via - # mp-api (pyproject.toml) - # mypy + # via mypy narwhals==2.26.0 # via plotly networkx==3.7 @@ -328,11 +334,13 @@ numpy==2.5.3 # tifffile openapi-pydantic==0.6.0 # via fastmcp-slim -opentelemetry-api==1.45.0 +opentelemetry-api==1.45.1 # via # fastmcp-slim # mcp -orjson==3.12.0 +optimade==1.5.0 + # via emmet-core +orjson==3.13.0 # via # mp-api (pyproject.toml) # pymatgen-core @@ -361,7 +369,7 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.8.0 +phonopy==4.8.1 # via emmet-core phonors==0.6.0 # via phonopy @@ -372,7 +380,7 @@ pillow==12.3.0 # scikit-image pint==0.26.1 # via mp-api (pyproject.toml) -platformdirs==4.12.2 +platformdirs==4.12.4 # via # fastmcp-slim # pint @@ -407,30 +415,26 @@ pybtex==0.26.1 # via emmet-core pycodcif==3.0.1 # via emmet-core -pycodestyle==2.15.0 - # via - # flake8 - # mp-api (pyproject.toml) -pycparser==3.0 +pycparser==3.1 # via cffi -pydantic[email]==2.13.5 +pydantic[email]==2.14.0 # via # emmet-core # fastmcp-slim # mcp # mcp-types # openapi-pydantic + # optimade # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.5 +pydantic-core==2.50.0 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim + # optimade # pymatgen-io-validation -pyflakes==4.0.1 - # via flake8 pygments==2.21.0 # via # ipython @@ -465,7 +469,7 @@ pymatgen-core==2026.10.2 # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pymongo==4.18.2 +pymongo==4.18.3 # via # emmet-core # mp-api (pyproject.toml) @@ -508,7 +512,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.4 +pytz==2026.5 # via bravado-core pyyaml==6.0.3 # via @@ -516,6 +520,7 @@ pyyaml==6.0.3 # bravado-core # fastmcp-slim # jsonschema-path + # optimade # phonopy # pre-commit # pybtex @@ -530,6 +535,7 @@ requests==2.34.2 # bravado # bravado-core # mp-api (pyproject.toml) + # optimade # pymatgen-core # pymatgen-io-validation # requests-futures @@ -546,12 +552,13 @@ rich==15.0.0 # via # cyclopts # fastmcp-slim + # mp-api (pyproject.toml) # rich-rst rich-rst==2.2.0 # via cyclopts roman-numerals==4.1.0 # via sphinx -rpds-py==2026.6.3 +rpds-py==2026.9.1 # via # jsonschema # referencing @@ -575,9 +582,9 @@ secretstorage==3.5.0 # via keyring seekpath==2.2.2 # via emmet-core -shapely==2.1.2 +shapely==2.2.0 # via pymatgen-analysis-alloys -simplejson==4.1.2 +simplejson==4.2.0 # via # bravado # bravado-core @@ -635,6 +642,7 @@ tqdm==4.70.1 traitlets==5.16.1 # via # ipython + # ipywidgets # matplotlib-inline truststore==0.10.4 # via @@ -642,24 +650,20 @@ truststore==0.10.4 # httpx2 typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260906 - # via mp-api (pyproject.toml) -types-setuptools==84.0.0.20260812 +types-requests==2.33.0.20261006 # via mp-api (pyproject.toml) -types-tqdm==4.70.0.20260906 +types-setuptools==84.0.0.20261006 # via mp-api (pyproject.toml) typing-extensions==4.16.0 # via # anyio # ase # bravado - # emmet-core # fastmcp-slim # flexcache # flexparser # mcp # mcp-types - # mp-api (pyproject.toml) # mypy # opentelemetry-api # pint @@ -674,7 +678,7 @@ typing-inspection==0.4.4 # mcp # pydantic # pydantic-settings -tzdata==2026.4 +tzdata==2026.5 # via arrow uncalled-for==0.4.0 # via fastmcp-slim @@ -691,17 +695,19 @@ uvicorn==0.54.0 # via # fastmcp-slim # mcp -virtualenv==21.14.5 +virtualenv==21.14.6 # via pre-commit watchfiles==1.3.0 # via fastmcp-slim -wcwidth==0.9.1 +wcwidth==0.9.2 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==17.1 +websockets==17.2 # via fastmcp-slim werkzeug==3.1.9 # via flask +widgetsnbextension==4.0.16 + # via ipywidgets wrapt==2.5.0 # via deprecated