From 16882b3d420bf85a686d588215bf2aecdfa66163 Mon Sep 17 00:00:00 2001 From: github-actions Date: Fri, 2 Oct 2026 21:54:16 +0000 Subject: [PATCH] auto dependency upgrades --- .../requirements-ubuntu-latest_py3.12.txt | 61 ++--- ...quirements-ubuntu-latest_py3.12_extras.txt | 213 +++++++++--------- .../requirements-ubuntu-latest_py3.13.txt | 61 ++--- ...quirements-ubuntu-latest_py3.13_extras.txt | 213 +++++++++--------- .../requirements-ubuntu-latest_py3.14.txt | 61 ++--- ...quirements-ubuntu-latest_py3.14_extras.txt | 213 +++++++++--------- 6 files changed, 432 insertions(+), 390 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.12.txt b/requirements/requirements-ubuntu-latest_py3.12.txt index 7dfa7c17..e353464f 100644 --- a/requirements/requirements-ubuntu-latest_py3.12.txt +++ b/requirements/requirements-ubuntu-latest_py3.12.txt @@ -2,39 +2,41 @@ # This file is autogenerated by pip-compile with Python 3.12 # by the following command: # -# pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.12.txt pyproject.toml +# pip-compile --no-index --output-file=requirements/requirements-ubuntu-latest_py3.12.txt pyproject.toml # annotated-types==0.8.0 # via pydantic -arro3-core==0.8.1 +arro3-core==0.9.0 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.9 +blake3==1.0.10 # via emmet-core -boto3==1.43.73 +boto3==1.43.108 # via mp-api (pyproject.toml) -botocore==1.43.73 +botocore==1.43.108 # via # boto3 # s3transfer certifi==2026.7.22 # via requests -charset-normalizer==3.5.1 +charset-normalizer==3.5.2 # via requests -contourpy==1.3.3 +cloudpickle==3.1.2 + # via joblib +contourpy==1.4.0 # via matplotlib cycler==0.12.1 # via matplotlib deltalake==1.5.1 # via mp-api (pyproject.toml) -deprecated==1.3.1 +deprecated==3.0.0 # via deltalake -emmet-core==0.87.2 +emmet-core==0.87.3rc2 # via mp-api (pyproject.toml) -fonttools==4.63.0 +fonttools==4.66.1 # via matplotlib -idna==3.18 +idna==3.20 # via requests inflect==7.5.0 # via emmet-core @@ -42,15 +44,15 @@ jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.3 +joblib==1.6.0 # via pymatgen-core -kiwisolver==1.5.0 +kiwisolver==1.5.1 # via matplotlib latexcodec==3.0.1 # via pybtex -lxml==6.1.1 +lxml==6.1.3 # via pymatgen-core -matplotlib==3.11.1 +matplotlib==3.11.2 # via pymatgen-core monty==2026.7.16 # via @@ -61,11 +63,11 @@ more-itertools==11.1.0 # via inflect mpmath==1.3.0 # via sympy -narwhals==2.24.0 +narwhals==2.26.0 # via plotly -networkx==3.6.1 +networkx==3.7 # via pymatgen-core -numpy==2.5.2 +numpy==2.5.3 # via # contourpy # matplotlib @@ -85,11 +87,11 @@ packaging==26.3 # plotly palettable==3.3.3 # via pymatgen-core -pandas==3.0.5 +pandas==3.0.6 # via pymatgen-core pillow==12.3.0 # via matplotlib -plotly==6.9.0 +plotly==7.1.0 # via pymatgen-core pubchempy==1.0.5 # via emmet-core @@ -97,28 +99,29 @@ pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core -pydantic==2.13.4 +pydantic==2.13.5 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.4 +pydantic-core==2.46.5 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation -pymatgen==2026.5.4 +pymatgen==2026.9.24 # via # emmet-core # mp-api (pyproject.toml) -pymatgen-core==2026.8.13 +pymatgen-core==2026.10.2 # via + # emmet-core # pymatgen # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pyparsing==3.3.2 +pyparsing==3.3.3 # via # bibtexparser # matplotlib @@ -127,7 +130,7 @@ python-dateutil==2.9.0.post0 # botocore # matplotlib # pandas -python-dotenv==1.2.3 +python-dotenv==1.2.4 # via pydantic-settings pyyaml==6.0.3 # via pybtex @@ -140,7 +143,7 @@ ruamel-yaml==0.19.1 # via monty s3transfer==0.19.2 # via boto3 -scipy==1.18.0 +scipy==1.18.1 # via pymatgen-core six==1.17.0 # via python-dateutil @@ -150,7 +153,7 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tqdm==4.70.0 +tqdm==4.70.1 # via pymatgen-core typeguard==4.6.0 # via inflect @@ -173,5 +176,5 @@ urllib3==2.8.0 # via # botocore # requests -wrapt==2.3.0 +wrapt==2.5.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.12_extras.txt b/requirements/requirements-ubuntu-latest_py3.12_extras.txt index ee4c38ff..711b9139 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 --output-file=requirements/requirements-ubuntu-latest_py3.12_extras.txt pyproject.toml +# pip-compile --all-extras --no-index --output-file=requirements/requirements-ubuntu-latest_py3.12_extras.txt pyproject.toml # aiofile==3.12.3 # via py-key-value-aio @@ -10,21 +10,21 @@ alabaster==1.0.0 # via sphinx annotated-types==0.8.0 # via pydantic -anyio==4.14.2 +anyio==4.15.1 # via - # httpx + # httpx2 # mcp # py-key-value-aio # sse-starlette # starlette # watchfiles -arro3-core==0.8.1 +arro3-core==0.9.0 # via deltalake arrow==1.4.0 # via isoduration ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.8.0 +ast-serialize==0.12.0 # via mypy asttokens==3.0.2 # via stack-data @@ -34,7 +34,7 @@ attrs==26.1.0 # jsonschema # jsonschema-path # referencing -authlib==1.7.2 +authlib==1.8.0 # via fastmcp-slim babel==2.18.0 # via sphinx @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.9 +blake3==1.0.10 # via emmet-core blinker==1.9.0 # via flask -boltons==26.1.0 +boltons==26.2.0 # via mp-api (pyproject.toml) -boto3==1.43.73 +boto3==1.43.108 # via mp-api (pyproject.toml) -botocore==1.43.73 +botocore==1.43.108 # via # boto3 # s3transfer @@ -58,32 +58,31 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.1.7 +cachetools==7.2.0 # via # mp-api (pyproject.toml) # py-key-value-aio -caio==0.12.2 +caio==0.12.9 # via aiofile certifi==2026.7.22 - # via - # httpcore - # httpx - # requests + # via requests cffi==2.1.1 # via cryptography cfgv==3.5.0 # via pre-commit -charset-normalizer==3.5.1 +charset-normalizer==3.5.2 # via requests -click==8.4.2 +click==8.5.0 # via # flask # uvicorn -contourpy==1.3.3 +cloudpickle==3.1.2 + # via joblib +contourpy==1.4.0 # via matplotlib -coverage[toml]==7.15.4 +coverage[toml]==7.16.2 # via pytest-cov -cryptography==50.0.0 +cryptography==50.0.2 # via # authlib # joserfc @@ -93,11 +92,11 @@ custodian==2025.12.14 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==4.23.0 +cyclopts==5.1.1 # via fastmcp-slim deltalake==1.5.1 # via mp-api (pyproject.toml) -deprecated==1.3.1 +deprecated==3.0.0 # via deltalake distlib==0.4.3 # via virtualenv @@ -112,7 +111,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.2 +emmet-core[all]==0.87.3rc2 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -120,17 +119,17 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==3.4.7 +fastmcp==4.0.10 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==3.4.7 +fastmcp-slim[client,server]==4.0.10 # via fastmcp -filelock==3.32.3 +filelock==4.0.9 # via # python-discovery # virtualenv filetype==1.2.0 # via mp-api (pyproject.toml) -flake8==7.3.0 +flake8==7.4.1 # via mp-api (pyproject.toml) flask==3.1.3 # via mp-api (pyproject.toml) @@ -138,38 +137,36 @@ flexcache==0.3 # via pint flexparser==0.4 # via pint -fonttools==4.63.0 +fonttools==4.66.1 # via matplotlib -fqdn==1.5.1 +fqdn==1.6.0 # via jsonschema -griffelib==2.2.0 +griffelib==2.3.0 # via fastmcp-slim h11==0.16.0 # via - # httpcore + # httpcore2 # uvicorn h5py==3.16.0 # via phonopy -httpcore==1.0.9 - # via httpx -httpx==0.28.1 +httpcore2==2.13.1 + # via httpx2 +httpx2==2.13.1 # via # fastmcp-slim # mcp -httpx-sse==0.4.3 - # via mcp -identify==2.6.19 +identify==2.6.20 # via pre-commit -idna==3.18 +idna==3.20 # via # anyio # email-validator - # httpx + # httpx2 # jsonschema # requests -imageio==2.37.4 +imageio==2.38.0 # via scikit-image -imagesize==2.0.0 +imagesize==2.0.1 # via sphinx importlib-resources==7.1.0 # via swagger-spec-validator @@ -177,7 +174,7 @@ inflect==7.5.0 # via emmet-core iniconfig==2.3.0 # via pytest -ipython==9.16.1 +ipython==9.17.1 # via mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -205,11 +202,11 @@ jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.3 +joblib==1.6.0 # via # pymatgen-analysis-diffusion # pymatgen-core -joserfc==1.7.4 +joserfc==1.7.5 # via # authlib # fastmcp-slim @@ -232,19 +229,19 @@ jsonschema-specifications==2025.9.1 # via jsonschema keyring==25.7.0 # via py-key-value-aio -kiwisolver==1.5.0 +kiwisolver==1.5.1 # via matplotlib lark==1.3.1 # via rfc3987-syntax latexcodec==3.0.1 # via pybtex -lazy-loader==0.5 +lazy-loader==0.6 # via scikit-image -librt==0.15.0 +librt==0.16.0 # via mypy lobsterpy==0.6.1 # via emmet-core -lxml==6.1.1 +lxml==6.1.3 # via pymatgen-core markdown-it-py==4.2.0 # via rich @@ -253,7 +250,7 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.11.1 +matplotlib==3.11.2 # via # ase # phonopy @@ -263,8 +260,12 @@ matplotlib-inline==0.2.2 # via ipython mccabe==0.7.0 # via flake8 -mcp==1.29.0 +mcp==2.2.0 # via fastmcp-slim +mcp-types==2.2.0 + # via + # fastmcp-slim + # mcp mdurl==0.1.2 # via markdown-it-py monotonic==1.6 @@ -284,25 +285,25 @@ mp-pyrho==0.5.1 # via pymatgen-analysis-defects mpmath==1.3.0 # via sympy -msgpack==1.2.1 +msgpack==1.2.3 # via # bravado # bravado-core -mypy==2.3.1 +mypy==2.4.0 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==2.24.0 +narwhals==2.26.0 # via plotly -networkx==3.6.1 +networkx==3.7 # via # pymatgen-core # scikit-image -nodeenv==1.10.0 +nodeenv==1.11.0 # via pre-commit -numpy==2.5.2 +numpy==2.5.3 # via # ase # contourpy @@ -325,10 +326,12 @@ numpy==2.5.2 # spglib # symfc # tifffile -openapi-pydantic==0.5.1 - # via fastmcp-slim -opentelemetry-api==1.44.0 +openapi-pydantic==0.6.0 # via fastmcp-slim +opentelemetry-api==1.45.0 + # via + # fastmcp-slim + # mcp orjson==3.12.0 # via # mp-api (pyproject.toml) @@ -341,10 +344,12 @@ packaging==26.3 # plotly # pytest # scikit-image + # seekpath # sphinx + # virtualenv palettable==3.3.3 # via pymatgen-core -pandas==3.0.5 +pandas==3.0.6 # via # pymatgen-core # seaborn @@ -356,23 +361,23 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.4.0 +phonopy==4.8.0 # via emmet-core -phonors==0.3.0 +phonors==0.6.0 # via phonopy pillow==12.3.0 # via # imageio # matplotlib # scikit-image -pint==0.25.3 +pint==0.26.1 # via mp-api (pyproject.toml) -platformdirs==4.11.3 +platformdirs==4.12.2 # via # fastmcp-slim # pint # virtualenv -plotly==6.9.0 +plotly==7.1.0 # via pymatgen-core pluggy==1.6.0 # via @@ -390,9 +395,9 @@ ptyprocess==0.7.0 # via pexpect pubchempy==1.0.5 # via emmet-core -pure-eval==0.2.3 +pure-eval==0.2.4 # via stack-data -py-key-value-aio[filetree,keyring,memory]==0.4.5 +py-key-value-aio[filetree,keyring,memory]==0.4.6 # via fastmcp-slim pyarrow==25.0.1 # via @@ -402,29 +407,29 @@ pybtex==0.26.1 # via emmet-core pycodcif==3.0.1 # via emmet-core -pycodestyle==2.14.0 +pycodestyle==2.15.0 # via # flake8 # mp-api (pyproject.toml) pycparser==3.0 # via cffi -pydantic[email]==2.13.4 +pydantic[email]==2.13.5 # via # emmet-core # fastmcp-slim # mcp + # mcp-types # openapi-pydantic # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.4 +pydantic-core==2.46.5 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim - # mcp # pymatgen-io-validation -pyflakes==3.4.0 +pyflakes==4.0.1 # via flake8 pygments==2.21.0 # via @@ -438,7 +443,7 @@ pyisemail==2.0.1 # via mp-api (pyproject.toml) pyjwt[crypto]==2.15.1 # via mcp -pymatgen==2026.5.4 +pymatgen==2026.9.24 # via # emmet-core # lobsterpy @@ -451,20 +456,20 @@ pymatgen-analysis-alloys==0.0.9 # via emmet-core pymatgen-analysis-defects==2026.3.20 # via emmet-core -pymatgen-analysis-diffusion==2025.11.15 +pymatgen-analysis-diffusion==2026.9.23 # via emmet-core -pymatgen-core==2026.7.16 +pymatgen-core==2026.10.2 # via # emmet-core # pymatgen # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pymongo==4.17.0 +pymongo==4.18.2 # via # emmet-core # mp-api (pyproject.toml) -pyparsing==3.3.2 +pyparsing==3.3.3 # via # bibtexparser # matplotlib @@ -481,7 +486,7 @@ pytest-asyncio==1.4.0 # via mp-api (pyproject.toml) pytest-cov==7.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.15.1 +pytest-mock==3.16.0 # via mp-api (pyproject.toml) pytest-xdist==3.8.0 # via mp-api (pyproject.toml) @@ -493,9 +498,9 @@ python-dateutil==2.9.0.post0 # bravado-core # matplotlib # pandas -python-discovery==1.5.2 +python-discovery==1.6.1 # via virtualenv -python-dotenv==1.2.3 +python-dotenv==1.2.4 # via # fastmcp-slim # pydantic-settings @@ -503,7 +508,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.3.post1 +pytz==2026.4 # via bravado-core pyyaml==6.0.3 # via @@ -529,7 +534,7 @@ requests==2.34.2 # pymatgen-io-validation # requests-futures # sphinx -requests-futures==1.0.2 +requests-futures==1.1.0 # via mp-api (pyproject.toml) rfc3339-validator==0.1.4 # via jsonschema @@ -542,7 +547,7 @@ rich==15.0.0 # cyclopts # fastmcp-slim # rich-rst -rich-rst==2.1.0 +rich-rst==2.2.0 # via cyclopts roman-numerals==4.1.0 # via sphinx @@ -558,7 +563,7 @@ s3transfer==0.19.2 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scipy==1.18.0 +scipy==1.18.1 # via # ase # pymatgen-core @@ -568,11 +573,11 @@ seaborn==0.13.2 # via pymatgen-analysis-diffusion secretstorage==3.5.0 # via keyring -seekpath==2.2.1 +seekpath==2.2.2 # via emmet-core shapely==2.1.2 # via pymatgen-analysis-alloys -simplejson==4.1.1 +simplejson==4.1.2 # via # bravado # bravado-core @@ -604,11 +609,11 @@ sphinxcontrib-qthelp==2.0.0 # via sphinx sphinxcontrib-serializinghtml==2.0.0 # via sphinx -sse-starlette==3.4.8 +sse-starlette==3.5.0 # via mcp stack-data==0.6.3 # via ipython -starlette==1.6.0 +starlette==1.7.0 # via # fastmcp-slim # mcp @@ -623,21 +628,25 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tifffile==2026.8.16 +tifffile==2026.9.20 # via scikit-image -tqdm==4.70.0 +tqdm==4.70.1 # via pymatgen-core traitlets==5.16.1 # via # ipython # matplotlib-inline +truststore==0.10.4 + # via + # httpcore2 + # httpx2 typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260712 +types-requests==2.33.0.20260906 # via mp-api (pyproject.toml) types-setuptools==84.0.0.20260812 # via mp-api (pyproject.toml) -types-tqdm==4.70.0.20260805 +types-tqdm==4.70.0.20260906 # via mp-api (pyproject.toml) typing-extensions==4.16.0 # via @@ -649,7 +658,9 @@ typing-extensions==4.16.0 # fastmcp-slim # flexcache # flexparser + # httpx2 # mcp + # mcp-types # mp-api (pyproject.toml) # mypy # opentelemetry-api @@ -669,7 +680,7 @@ typing-inspection==0.4.4 # mcp # pydantic # pydantic-settings -tzdata==2026.3 +tzdata==2026.4 # via arrow uncalled-for==0.4.0 # via fastmcp-slim @@ -682,21 +693,21 @@ urllib3==2.8.0 # botocore # requests # types-requests -uvicorn==0.52.3 +uvicorn==0.54.0 # via # fastmcp-slim # mcp -virtualenv==21.7.13 +virtualenv==21.14.5 # via pre-commit -watchfiles==1.2.0 +watchfiles==1.3.0 # via fastmcp-slim -wcwidth==0.8.2 +wcwidth==0.9.1 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==17.0.1 +websockets==17.1 # via fastmcp-slim -werkzeug==3.1.8 +werkzeug==3.1.9 # via flask -wrapt==2.3.0 +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 049b4955..742dd107 100644 --- a/requirements/requirements-ubuntu-latest_py3.13.txt +++ b/requirements/requirements-ubuntu-latest_py3.13.txt @@ -2,39 +2,41 @@ # This file is autogenerated by pip-compile with Python 3.13 # by the following command: # -# pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.13.txt pyproject.toml +# pip-compile --no-index --output-file=requirements/requirements-ubuntu-latest_py3.13.txt pyproject.toml # annotated-types==0.8.0 # via pydantic -arro3-core==0.8.1 +arro3-core==0.9.0 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.9 +blake3==1.0.10 # via emmet-core -boto3==1.43.73 +boto3==1.43.108 # via mp-api (pyproject.toml) -botocore==1.43.73 +botocore==1.43.108 # via # boto3 # s3transfer certifi==2026.7.22 # via requests -charset-normalizer==3.5.1 +charset-normalizer==3.5.2 # via requests -contourpy==1.3.3 +cloudpickle==3.1.2 + # via joblib +contourpy==1.4.0 # via matplotlib cycler==0.12.1 # via matplotlib deltalake==1.5.1 # via mp-api (pyproject.toml) -deprecated==1.3.1 +deprecated==3.0.0 # via deltalake -emmet-core==0.87.2 +emmet-core==0.87.3rc2 # via mp-api (pyproject.toml) -fonttools==4.63.0 +fonttools==4.66.1 # via matplotlib -idna==3.18 +idna==3.20 # via requests inflect==7.5.0 # via emmet-core @@ -42,15 +44,15 @@ jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.3 +joblib==1.6.0 # via pymatgen-core -kiwisolver==1.5.0 +kiwisolver==1.5.1 # via matplotlib latexcodec==3.0.1 # via pybtex -lxml==6.1.1 +lxml==6.1.3 # via pymatgen-core -matplotlib==3.11.1 +matplotlib==3.11.2 # via pymatgen-core monty==2026.7.16 # via @@ -61,11 +63,11 @@ more-itertools==11.1.0 # via inflect mpmath==1.3.0 # via sympy -narwhals==2.24.0 +narwhals==2.26.0 # via plotly -networkx==3.6.1 +networkx==3.7 # via pymatgen-core -numpy==2.5.2 +numpy==2.5.3 # via # contourpy # matplotlib @@ -85,11 +87,11 @@ packaging==26.3 # plotly palettable==3.3.3 # via pymatgen-core -pandas==3.0.5 +pandas==3.0.6 # via pymatgen-core pillow==12.3.0 # via matplotlib -plotly==6.9.0 +plotly==7.1.0 # via pymatgen-core pubchempy==1.0.5 # via emmet-core @@ -97,28 +99,29 @@ pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core -pydantic==2.13.4 +pydantic==2.13.5 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.4 +pydantic-core==2.46.5 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation -pymatgen==2026.5.4 +pymatgen==2026.9.24 # via # emmet-core # mp-api (pyproject.toml) -pymatgen-core==2026.8.13 +pymatgen-core==2026.10.2 # via + # emmet-core # pymatgen # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pyparsing==3.3.2 +pyparsing==3.3.3 # via # bibtexparser # matplotlib @@ -127,7 +130,7 @@ python-dateutil==2.9.0.post0 # botocore # matplotlib # pandas -python-dotenv==1.2.3 +python-dotenv==1.2.4 # via pydantic-settings pyyaml==6.0.3 # via pybtex @@ -140,7 +143,7 @@ ruamel-yaml==0.19.1 # via monty s3transfer==0.19.2 # via boto3 -scipy==1.18.0 +scipy==1.18.1 # via pymatgen-core six==1.17.0 # via python-dateutil @@ -150,7 +153,7 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tqdm==4.70.0 +tqdm==4.70.1 # via pymatgen-core typeguard==4.6.0 # via inflect @@ -172,5 +175,5 @@ urllib3==2.8.0 # via # botocore # requests -wrapt==2.3.0 +wrapt==2.5.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.13_extras.txt b/requirements/requirements-ubuntu-latest_py3.13_extras.txt index 811be2b6..a1c03312 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 --output-file=requirements/requirements-ubuntu-latest_py3.13_extras.txt pyproject.toml +# pip-compile --all-extras --no-index --output-file=requirements/requirements-ubuntu-latest_py3.13_extras.txt pyproject.toml # aiofile==3.12.3 # via py-key-value-aio @@ -10,21 +10,21 @@ alabaster==1.0.0 # via sphinx annotated-types==0.8.0 # via pydantic -anyio==4.14.2 +anyio==4.15.1 # via - # httpx + # httpx2 # mcp # py-key-value-aio # sse-starlette # starlette # watchfiles -arro3-core==0.8.1 +arro3-core==0.9.0 # via deltalake arrow==1.4.0 # via isoduration ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.8.0 +ast-serialize==0.12.0 # via mypy asttokens==3.0.2 # via stack-data @@ -34,7 +34,7 @@ attrs==26.1.0 # jsonschema # jsonschema-path # referencing -authlib==1.7.2 +authlib==1.8.0 # via fastmcp-slim babel==2.18.0 # via sphinx @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.9 +blake3==1.0.10 # via emmet-core blinker==1.9.0 # via flask -boltons==26.1.0 +boltons==26.2.0 # via mp-api (pyproject.toml) -boto3==1.43.73 +boto3==1.43.108 # via mp-api (pyproject.toml) -botocore==1.43.73 +botocore==1.43.108 # via # boto3 # s3transfer @@ -58,32 +58,31 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.1.7 +cachetools==7.2.0 # via # mp-api (pyproject.toml) # py-key-value-aio -caio==0.12.2 +caio==0.12.9 # via aiofile certifi==2026.7.22 - # via - # httpcore - # httpx - # requests + # via requests cffi==2.1.1 # via cryptography cfgv==3.5.0 # via pre-commit -charset-normalizer==3.5.1 +charset-normalizer==3.5.2 # via requests -click==8.4.2 +click==8.5.0 # via # flask # uvicorn -contourpy==1.3.3 +cloudpickle==3.1.2 + # via joblib +contourpy==1.4.0 # via matplotlib -coverage[toml]==7.15.4 +coverage[toml]==7.16.2 # via pytest-cov -cryptography==50.0.0 +cryptography==50.0.2 # via # authlib # joserfc @@ -93,11 +92,11 @@ custodian==2025.12.14 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==4.23.0 +cyclopts==5.1.1 # via fastmcp-slim deltalake==1.5.1 # via mp-api (pyproject.toml) -deprecated==1.3.1 +deprecated==3.0.0 # via deltalake distlib==0.4.3 # via virtualenv @@ -112,7 +111,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.2 +emmet-core[all]==0.87.3rc2 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -120,17 +119,17 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==3.4.7 +fastmcp==4.0.10 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==3.4.7 +fastmcp-slim[client,server]==4.0.10 # via fastmcp -filelock==3.32.3 +filelock==4.0.9 # via # python-discovery # virtualenv filetype==1.2.0 # via mp-api (pyproject.toml) -flake8==7.3.0 +flake8==7.4.1 # via mp-api (pyproject.toml) flask==3.1.3 # via mp-api (pyproject.toml) @@ -138,38 +137,36 @@ flexcache==0.3 # via pint flexparser==0.4 # via pint -fonttools==4.63.0 +fonttools==4.66.1 # via matplotlib -fqdn==1.5.1 +fqdn==1.6.0 # via jsonschema -griffelib==2.2.0 +griffelib==2.3.0 # via fastmcp-slim h11==0.16.0 # via - # httpcore + # httpcore2 # uvicorn h5py==3.16.0 # via phonopy -httpcore==1.0.9 - # via httpx -httpx==0.28.1 +httpcore2==2.13.1 + # via httpx2 +httpx2==2.13.1 # via # fastmcp-slim # mcp -httpx-sse==0.4.3 - # via mcp -identify==2.6.19 +identify==2.6.20 # via pre-commit -idna==3.18 +idna==3.20 # via # anyio # email-validator - # httpx + # httpx2 # jsonschema # requests -imageio==2.37.4 +imageio==2.38.0 # via scikit-image -imagesize==2.0.0 +imagesize==2.0.1 # via sphinx importlib-resources==7.1.0 # via swagger-spec-validator @@ -177,7 +174,7 @@ inflect==7.5.0 # via emmet-core iniconfig==2.3.0 # via pytest -ipython==9.16.1 +ipython==9.17.1 # via mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -205,11 +202,11 @@ jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.3 +joblib==1.6.0 # via # pymatgen-analysis-diffusion # pymatgen-core -joserfc==1.7.4 +joserfc==1.7.5 # via # authlib # fastmcp-slim @@ -232,19 +229,19 @@ jsonschema-specifications==2025.9.1 # via jsonschema keyring==25.7.0 # via py-key-value-aio -kiwisolver==1.5.0 +kiwisolver==1.5.1 # via matplotlib lark==1.3.1 # via rfc3987-syntax latexcodec==3.0.1 # via pybtex -lazy-loader==0.5 +lazy-loader==0.6 # via scikit-image -librt==0.15.0 +librt==0.16.0 # via mypy lobsterpy==0.6.1 # via emmet-core -lxml==6.1.1 +lxml==6.1.3 # via pymatgen-core markdown-it-py==4.2.0 # via rich @@ -253,7 +250,7 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.11.1 +matplotlib==3.11.2 # via # ase # phonopy @@ -263,8 +260,12 @@ matplotlib-inline==0.2.2 # via ipython mccabe==0.7.0 # via flake8 -mcp==1.29.0 +mcp==2.2.0 # via fastmcp-slim +mcp-types==2.2.0 + # via + # fastmcp-slim + # mcp mdurl==0.1.2 # via markdown-it-py monotonic==1.6 @@ -284,25 +285,25 @@ mp-pyrho==0.5.1 # via pymatgen-analysis-defects mpmath==1.3.0 # via sympy -msgpack==1.2.1 +msgpack==1.2.3 # via # bravado # bravado-core -mypy==2.3.1 +mypy==2.4.0 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==2.24.0 +narwhals==2.26.0 # via plotly -networkx==3.6.1 +networkx==3.7 # via # pymatgen-core # scikit-image -nodeenv==1.10.0 +nodeenv==1.11.0 # via pre-commit -numpy==2.5.2 +numpy==2.5.3 # via # ase # contourpy @@ -325,10 +326,12 @@ numpy==2.5.2 # spglib # symfc # tifffile -openapi-pydantic==0.5.1 - # via fastmcp-slim -opentelemetry-api==1.44.0 +openapi-pydantic==0.6.0 # via fastmcp-slim +opentelemetry-api==1.45.0 + # via + # fastmcp-slim + # mcp orjson==3.12.0 # via # mp-api (pyproject.toml) @@ -341,10 +344,12 @@ packaging==26.3 # plotly # pytest # scikit-image + # seekpath # sphinx + # virtualenv palettable==3.3.3 # via pymatgen-core -pandas==3.0.5 +pandas==3.0.6 # via # pymatgen-core # seaborn @@ -356,23 +361,23 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.4.0 +phonopy==4.8.0 # via emmet-core -phonors==0.3.0 +phonors==0.6.0 # via phonopy pillow==12.3.0 # via # imageio # matplotlib # scikit-image -pint==0.25.3 +pint==0.26.1 # via mp-api (pyproject.toml) -platformdirs==4.11.3 +platformdirs==4.12.2 # via # fastmcp-slim # pint # virtualenv -plotly==6.9.0 +plotly==7.1.0 # via pymatgen-core pluggy==1.6.0 # via @@ -390,9 +395,9 @@ ptyprocess==0.7.0 # via pexpect pubchempy==1.0.5 # via emmet-core -pure-eval==0.2.3 +pure-eval==0.2.4 # via stack-data -py-key-value-aio[filetree,keyring,memory]==0.4.5 +py-key-value-aio[filetree,keyring,memory]==0.4.6 # via fastmcp-slim pyarrow==25.0.1 # via @@ -402,29 +407,29 @@ pybtex==0.26.1 # via emmet-core pycodcif==3.0.1 # via emmet-core -pycodestyle==2.14.0 +pycodestyle==2.15.0 # via # flake8 # mp-api (pyproject.toml) pycparser==3.0 # via cffi -pydantic[email]==2.13.4 +pydantic[email]==2.13.5 # via # emmet-core # fastmcp-slim # mcp + # mcp-types # openapi-pydantic # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.4 +pydantic-core==2.46.5 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim - # mcp # pymatgen-io-validation -pyflakes==3.4.0 +pyflakes==4.0.1 # via flake8 pygments==2.21.0 # via @@ -438,7 +443,7 @@ pyisemail==2.0.1 # via mp-api (pyproject.toml) pyjwt[crypto]==2.15.1 # via mcp -pymatgen==2026.5.4 +pymatgen==2026.9.24 # via # emmet-core # lobsterpy @@ -451,20 +456,20 @@ pymatgen-analysis-alloys==0.0.9 # via emmet-core pymatgen-analysis-defects==2026.3.20 # via emmet-core -pymatgen-analysis-diffusion==2025.11.15 +pymatgen-analysis-diffusion==2026.9.23 # via emmet-core -pymatgen-core==2026.7.16 +pymatgen-core==2026.10.2 # via # emmet-core # pymatgen # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pymongo==4.17.0 +pymongo==4.18.2 # via # emmet-core # mp-api (pyproject.toml) -pyparsing==3.3.2 +pyparsing==3.3.3 # via # bibtexparser # matplotlib @@ -481,7 +486,7 @@ pytest-asyncio==1.4.0 # via mp-api (pyproject.toml) pytest-cov==7.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.15.1 +pytest-mock==3.16.0 # via mp-api (pyproject.toml) pytest-xdist==3.8.0 # via mp-api (pyproject.toml) @@ -493,9 +498,9 @@ python-dateutil==2.9.0.post0 # bravado-core # matplotlib # pandas -python-discovery==1.5.2 +python-discovery==1.6.1 # via virtualenv -python-dotenv==1.2.3 +python-dotenv==1.2.4 # via # fastmcp-slim # pydantic-settings @@ -503,7 +508,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.3.post1 +pytz==2026.4 # via bravado-core pyyaml==6.0.3 # via @@ -529,7 +534,7 @@ requests==2.34.2 # pymatgen-io-validation # requests-futures # sphinx -requests-futures==1.0.2 +requests-futures==1.1.0 # via mp-api (pyproject.toml) rfc3339-validator==0.1.4 # via jsonschema @@ -542,7 +547,7 @@ rich==15.0.0 # cyclopts # fastmcp-slim # rich-rst -rich-rst==2.1.0 +rich-rst==2.2.0 # via cyclopts roman-numerals==4.1.0 # via sphinx @@ -558,7 +563,7 @@ s3transfer==0.19.2 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scipy==1.18.0 +scipy==1.18.1 # via # ase # pymatgen-core @@ -568,11 +573,11 @@ seaborn==0.13.2 # via pymatgen-analysis-diffusion secretstorage==3.5.0 # via keyring -seekpath==2.2.1 +seekpath==2.2.2 # via emmet-core shapely==2.1.2 # via pymatgen-analysis-alloys -simplejson==4.1.1 +simplejson==4.1.2 # via # bravado # bravado-core @@ -604,11 +609,11 @@ sphinxcontrib-qthelp==2.0.0 # via sphinx sphinxcontrib-serializinghtml==2.0.0 # via sphinx -sse-starlette==3.4.8 +sse-starlette==3.5.0 # via mcp stack-data==0.6.3 # via ipython -starlette==1.6.0 +starlette==1.7.0 # via # fastmcp-slim # mcp @@ -623,24 +628,29 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tifffile==2026.8.16 +tifffile==2026.9.20 # via scikit-image -tqdm==4.70.0 +tqdm==4.70.1 # via pymatgen-core traitlets==5.16.1 # via # ipython # matplotlib-inline +truststore==0.10.4 + # via + # httpcore2 + # httpx2 typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260712 +types-requests==2.33.0.20260906 # via mp-api (pyproject.toml) types-setuptools==84.0.0.20260812 # via mp-api (pyproject.toml) -types-tqdm==4.70.0.20260805 +types-tqdm==4.70.0.20260906 # via mp-api (pyproject.toml) typing-extensions==4.16.0 # via + # anyio # ase # bravado # emmet-core @@ -648,6 +658,7 @@ typing-extensions==4.16.0 # flexcache # flexparser # mcp + # mcp-types # mp-api (pyproject.toml) # mypy # opentelemetry-api @@ -663,7 +674,7 @@ typing-inspection==0.4.4 # mcp # pydantic # pydantic-settings -tzdata==2026.3 +tzdata==2026.4 # via arrow uncalled-for==0.4.0 # via fastmcp-slim @@ -676,21 +687,21 @@ urllib3==2.8.0 # botocore # requests # types-requests -uvicorn==0.52.3 +uvicorn==0.54.0 # via # fastmcp-slim # mcp -virtualenv==21.7.13 +virtualenv==21.14.5 # via pre-commit -watchfiles==1.2.0 +watchfiles==1.3.0 # via fastmcp-slim -wcwidth==0.8.2 +wcwidth==0.9.1 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==17.0.1 +websockets==17.1 # via fastmcp-slim -werkzeug==3.1.8 +werkzeug==3.1.9 # via flask -wrapt==2.3.0 +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 17664e28..c1e1d61f 100644 --- a/requirements/requirements-ubuntu-latest_py3.14.txt +++ b/requirements/requirements-ubuntu-latest_py3.14.txt @@ -2,39 +2,41 @@ # This file is autogenerated by pip-compile with Python 3.14 # by the following command: # -# pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.14.txt pyproject.toml +# pip-compile --no-index --output-file=requirements/requirements-ubuntu-latest_py3.14.txt pyproject.toml # annotated-types==0.8.0 # via pydantic -arro3-core==0.8.1 +arro3-core==0.9.0 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.9 +blake3==1.0.10 # via emmet-core -boto3==1.43.73 +boto3==1.43.108 # via mp-api (pyproject.toml) -botocore==1.43.73 +botocore==1.43.108 # via # boto3 # s3transfer certifi==2026.7.22 # via requests -charset-normalizer==3.5.1 +charset-normalizer==3.5.2 # via requests -contourpy==1.3.3 +cloudpickle==3.1.2 + # via joblib +contourpy==1.4.0 # via matplotlib cycler==0.12.1 # via matplotlib deltalake==1.5.1 # via mp-api (pyproject.toml) -deprecated==1.3.1 +deprecated==3.0.0 # via deltalake -emmet-core==0.87.2 +emmet-core==0.87.3rc2 # via mp-api (pyproject.toml) -fonttools==4.63.0 +fonttools==4.66.1 # via matplotlib -idna==3.18 +idna==3.20 # via requests inflect==7.5.0 # via emmet-core @@ -42,15 +44,15 @@ jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.3 +joblib==1.6.0 # via pymatgen-core -kiwisolver==1.5.0 +kiwisolver==1.5.1 # via matplotlib latexcodec==3.0.1 # via pybtex -lxml==6.1.1 +lxml==6.1.3 # via pymatgen-core -matplotlib==3.11.1 +matplotlib==3.11.2 # via pymatgen-core monty==2026.7.16 # via @@ -61,11 +63,11 @@ more-itertools==11.1.0 # via inflect mpmath==1.3.0 # via sympy -narwhals==2.24.0 +narwhals==2.26.0 # via plotly -networkx==3.6.1 +networkx==3.7 # via pymatgen-core -numpy==2.5.2 +numpy==2.5.3 # via # contourpy # matplotlib @@ -85,11 +87,11 @@ packaging==26.3 # plotly palettable==3.3.3 # via pymatgen-core -pandas==3.0.5 +pandas==3.0.6 # via pymatgen-core pillow==12.3.0 # via matplotlib -plotly==6.9.0 +plotly==7.1.0 # via pymatgen-core pubchempy==1.0.5 # via emmet-core @@ -97,28 +99,29 @@ pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core -pydantic==2.13.4 +pydantic==2.13.5 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.4 +pydantic-core==2.46.5 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation -pymatgen==2026.5.4 +pymatgen==2026.9.24 # via # emmet-core # mp-api (pyproject.toml) -pymatgen-core==2026.8.13 +pymatgen-core==2026.10.2 # via + # emmet-core # pymatgen # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pyparsing==3.3.2 +pyparsing==3.3.3 # via # bibtexparser # matplotlib @@ -127,7 +130,7 @@ python-dateutil==2.9.0.post0 # botocore # matplotlib # pandas -python-dotenv==1.2.3 +python-dotenv==1.2.4 # via pydantic-settings pyyaml==6.0.3 # via pybtex @@ -140,7 +143,7 @@ ruamel-yaml==0.19.1 # via monty s3transfer==0.19.2 # via boto3 -scipy==1.18.0 +scipy==1.18.1 # via pymatgen-core six==1.17.0 # via python-dateutil @@ -150,7 +153,7 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tqdm==4.70.0 +tqdm==4.70.1 # via pymatgen-core typeguard==4.6.0 # via inflect @@ -172,5 +175,5 @@ urllib3==2.8.0 # via # botocore # requests -wrapt==2.3.0 +wrapt==2.5.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.14_extras.txt b/requirements/requirements-ubuntu-latest_py3.14_extras.txt index aecebaea..5db9a741 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 --output-file=requirements/requirements-ubuntu-latest_py3.14_extras.txt pyproject.toml +# pip-compile --all-extras --no-index --output-file=requirements/requirements-ubuntu-latest_py3.14_extras.txt pyproject.toml # aiofile==3.12.3 # via py-key-value-aio @@ -10,21 +10,21 @@ alabaster==1.0.0 # via sphinx annotated-types==0.8.0 # via pydantic -anyio==4.14.2 +anyio==4.15.1 # via - # httpx + # httpx2 # mcp # py-key-value-aio # sse-starlette # starlette # watchfiles -arro3-core==0.8.1 +arro3-core==0.9.0 # via deltalake arrow==1.4.0 # via isoduration ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.8.0 +ast-serialize==0.12.0 # via mypy asttokens==3.0.2 # via stack-data @@ -34,7 +34,7 @@ attrs==26.1.0 # jsonschema # jsonschema-path # referencing -authlib==1.7.2 +authlib==1.8.0 # via fastmcp-slim babel==2.18.0 # via sphinx @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.9 +blake3==1.0.10 # via emmet-core blinker==1.9.0 # via flask -boltons==26.1.0 +boltons==26.2.0 # via mp-api (pyproject.toml) -boto3==1.43.73 +boto3==1.43.108 # via mp-api (pyproject.toml) -botocore==1.43.73 +botocore==1.43.108 # via # boto3 # s3transfer @@ -58,32 +58,31 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.1.7 +cachetools==7.2.0 # via # mp-api (pyproject.toml) # py-key-value-aio -caio==0.12.2 +caio==0.12.9 # via aiofile certifi==2026.7.22 - # via - # httpcore - # httpx - # requests + # via requests cffi==2.1.1 # via cryptography cfgv==3.5.0 # via pre-commit -charset-normalizer==3.5.1 +charset-normalizer==3.5.2 # via requests -click==8.4.2 +click==8.5.0 # via # flask # uvicorn -contourpy==1.3.3 +cloudpickle==3.1.2 + # via joblib +contourpy==1.4.0 # via matplotlib -coverage[toml]==7.15.4 +coverage[toml]==7.16.2 # via pytest-cov -cryptography==50.0.0 +cryptography==50.0.2 # via # authlib # joserfc @@ -93,11 +92,11 @@ custodian==2025.12.14 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==4.23.0 +cyclopts==5.1.1 # via fastmcp-slim deltalake==1.5.1 # via mp-api (pyproject.toml) -deprecated==1.3.1 +deprecated==3.0.0 # via deltalake distlib==0.4.3 # via virtualenv @@ -112,7 +111,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.2 +emmet-core[all]==0.87.3rc2 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -120,17 +119,17 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==3.4.7 +fastmcp==4.0.10 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==3.4.7 +fastmcp-slim[client,server]==4.0.10 # via fastmcp -filelock==3.32.3 +filelock==4.0.9 # via # python-discovery # virtualenv filetype==1.2.0 # via mp-api (pyproject.toml) -flake8==7.3.0 +flake8==7.4.1 # via mp-api (pyproject.toml) flask==3.1.3 # via mp-api (pyproject.toml) @@ -138,38 +137,36 @@ flexcache==0.3 # via pint flexparser==0.4 # via pint -fonttools==4.63.0 +fonttools==4.66.1 # via matplotlib -fqdn==1.5.1 +fqdn==1.6.0 # via jsonschema -griffelib==2.2.0 +griffelib==2.3.0 # via fastmcp-slim h11==0.16.0 # via - # httpcore + # httpcore2 # uvicorn h5py==3.16.0 # via phonopy -httpcore==1.0.9 - # via httpx -httpx==0.28.1 +httpcore2==2.13.1 + # via httpx2 +httpx2==2.13.1 # via # fastmcp-slim # mcp -httpx-sse==0.4.3 - # via mcp -identify==2.6.19 +identify==2.6.20 # via pre-commit -idna==3.18 +idna==3.20 # via # anyio # email-validator - # httpx + # httpx2 # jsonschema # requests -imageio==2.37.4 +imageio==2.38.0 # via scikit-image -imagesize==2.0.0 +imagesize==2.0.1 # via sphinx importlib-resources==7.1.0 # via swagger-spec-validator @@ -177,7 +174,7 @@ inflect==7.5.0 # via emmet-core iniconfig==2.3.0 # via pytest -ipython==9.16.1 +ipython==9.17.1 # via mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -205,11 +202,11 @@ jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.3 +joblib==1.6.0 # via # pymatgen-analysis-diffusion # pymatgen-core -joserfc==1.7.4 +joserfc==1.7.5 # via # authlib # fastmcp-slim @@ -232,19 +229,19 @@ jsonschema-specifications==2025.9.1 # via jsonschema keyring==25.7.0 # via py-key-value-aio -kiwisolver==1.5.0 +kiwisolver==1.5.1 # via matplotlib lark==1.3.1 # via rfc3987-syntax latexcodec==3.0.1 # via pybtex -lazy-loader==0.5 +lazy-loader==0.6 # via scikit-image -librt==0.15.0 +librt==0.16.0 # via mypy lobsterpy==0.6.1 # via emmet-core -lxml==6.1.1 +lxml==6.1.3 # via pymatgen-core markdown-it-py==4.2.0 # via rich @@ -253,7 +250,7 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.11.1 +matplotlib==3.11.2 # via # ase # phonopy @@ -263,8 +260,12 @@ matplotlib-inline==0.2.2 # via ipython mccabe==0.7.0 # via flake8 -mcp==1.29.0 +mcp==2.2.0 # via fastmcp-slim +mcp-types==2.2.0 + # via + # fastmcp-slim + # mcp mdurl==0.1.2 # via markdown-it-py monotonic==1.6 @@ -284,25 +285,25 @@ mp-pyrho==0.5.1 # via pymatgen-analysis-defects mpmath==1.3.0 # via sympy -msgpack==1.2.1 +msgpack==1.2.3 # via # bravado # bravado-core -mypy==2.3.1 +mypy==2.4.0 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==2.24.0 +narwhals==2.26.0 # via plotly -networkx==3.6.1 +networkx==3.7 # via # pymatgen-core # scikit-image -nodeenv==1.10.0 +nodeenv==1.11.0 # via pre-commit -numpy==2.5.2 +numpy==2.5.3 # via # ase # contourpy @@ -325,10 +326,12 @@ numpy==2.5.2 # spglib # symfc # tifffile -openapi-pydantic==0.5.1 - # via fastmcp-slim -opentelemetry-api==1.44.0 +openapi-pydantic==0.6.0 # via fastmcp-slim +opentelemetry-api==1.45.0 + # via + # fastmcp-slim + # mcp orjson==3.12.0 # via # mp-api (pyproject.toml) @@ -341,10 +344,12 @@ packaging==26.3 # plotly # pytest # scikit-image + # seekpath # sphinx + # virtualenv palettable==3.3.3 # via pymatgen-core -pandas==3.0.5 +pandas==3.0.6 # via # pymatgen-core # seaborn @@ -356,23 +361,23 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.4.0 +phonopy==4.8.0 # via emmet-core -phonors==0.3.0 +phonors==0.6.0 # via phonopy pillow==12.3.0 # via # imageio # matplotlib # scikit-image -pint==0.25.3 +pint==0.26.1 # via mp-api (pyproject.toml) -platformdirs==4.11.3 +platformdirs==4.12.2 # via # fastmcp-slim # pint # virtualenv -plotly==6.9.0 +plotly==7.1.0 # via pymatgen-core pluggy==1.6.0 # via @@ -390,9 +395,9 @@ ptyprocess==0.7.0 # via pexpect pubchempy==1.0.5 # via emmet-core -pure-eval==0.2.3 +pure-eval==0.2.4 # via stack-data -py-key-value-aio[filetree,keyring,memory]==0.4.5 +py-key-value-aio[filetree,keyring,memory]==0.4.6 # via fastmcp-slim pyarrow==25.0.1 # via @@ -402,29 +407,29 @@ pybtex==0.26.1 # via emmet-core pycodcif==3.0.1 # via emmet-core -pycodestyle==2.14.0 +pycodestyle==2.15.0 # via # flake8 # mp-api (pyproject.toml) pycparser==3.0 # via cffi -pydantic[email]==2.13.4 +pydantic[email]==2.13.5 # via # emmet-core # fastmcp-slim # mcp + # mcp-types # openapi-pydantic # pydantic-settings # pymatgen-io-validation -pydantic-core==2.46.4 +pydantic-core==2.46.5 # via pydantic pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim - # mcp # pymatgen-io-validation -pyflakes==3.4.0 +pyflakes==4.0.1 # via flake8 pygments==2.21.0 # via @@ -438,7 +443,7 @@ pyisemail==2.0.1 # via mp-api (pyproject.toml) pyjwt[crypto]==2.15.1 # via mcp -pymatgen==2026.5.4 +pymatgen==2026.9.24 # via # emmet-core # lobsterpy @@ -451,20 +456,20 @@ pymatgen-analysis-alloys==0.0.9 # via emmet-core pymatgen-analysis-defects==2026.3.20 # via emmet-core -pymatgen-analysis-diffusion==2025.11.15 +pymatgen-analysis-diffusion==2026.9.23 # via emmet-core -pymatgen-core==2026.7.16 +pymatgen-core==2026.10.2 # via # emmet-core # pymatgen # pymatgen-io-validation pymatgen-io-validation==0.1.4 # via emmet-core -pymongo==4.17.0 +pymongo==4.18.2 # via # emmet-core # mp-api (pyproject.toml) -pyparsing==3.3.2 +pyparsing==3.3.3 # via # bibtexparser # matplotlib @@ -481,7 +486,7 @@ pytest-asyncio==1.4.0 # via mp-api (pyproject.toml) pytest-cov==7.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.15.1 +pytest-mock==3.16.0 # via mp-api (pyproject.toml) pytest-xdist==3.8.0 # via mp-api (pyproject.toml) @@ -493,9 +498,9 @@ python-dateutil==2.9.0.post0 # bravado-core # matplotlib # pandas -python-discovery==1.5.2 +python-discovery==1.6.1 # via virtualenv -python-dotenv==1.2.3 +python-dotenv==1.2.4 # via # fastmcp-slim # pydantic-settings @@ -503,7 +508,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.3.post1 +pytz==2026.4 # via bravado-core pyyaml==6.0.3 # via @@ -529,7 +534,7 @@ requests==2.34.2 # pymatgen-io-validation # requests-futures # sphinx -requests-futures==1.0.2 +requests-futures==1.1.0 # via mp-api (pyproject.toml) rfc3339-validator==0.1.4 # via jsonschema @@ -542,7 +547,7 @@ rich==15.0.0 # cyclopts # fastmcp-slim # rich-rst -rich-rst==2.1.0 +rich-rst==2.2.0 # via cyclopts roman-numerals==4.1.0 # via sphinx @@ -558,7 +563,7 @@ s3transfer==0.19.2 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scipy==1.18.0 +scipy==1.18.1 # via # ase # pymatgen-core @@ -568,11 +573,11 @@ seaborn==0.13.2 # via pymatgen-analysis-diffusion secretstorage==3.5.0 # via keyring -seekpath==2.2.1 +seekpath==2.2.2 # via emmet-core shapely==2.1.2 # via pymatgen-analysis-alloys -simplejson==4.1.1 +simplejson==4.1.2 # via # bravado # bravado-core @@ -604,11 +609,11 @@ sphinxcontrib-qthelp==2.0.0 # via sphinx sphinxcontrib-serializinghtml==2.0.0 # via sphinx -sse-starlette==3.4.8 +sse-starlette==3.5.0 # via mcp stack-data==0.6.3 # via ipython -starlette==1.6.0 +starlette==1.7.0 # via # fastmcp-slim # mcp @@ -623,24 +628,29 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tifffile==2026.8.16 +tifffile==2026.9.20 # via scikit-image -tqdm==4.70.0 +tqdm==4.70.1 # via pymatgen-core traitlets==5.16.1 # via # ipython # matplotlib-inline +truststore==0.10.4 + # via + # httpcore2 + # httpx2 typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260712 +types-requests==2.33.0.20260906 # via mp-api (pyproject.toml) types-setuptools==84.0.0.20260812 # via mp-api (pyproject.toml) -types-tqdm==4.70.0.20260805 +types-tqdm==4.70.0.20260906 # via mp-api (pyproject.toml) typing-extensions==4.16.0 # via + # anyio # ase # bravado # emmet-core @@ -648,6 +658,7 @@ typing-extensions==4.16.0 # flexcache # flexparser # mcp + # mcp-types # mp-api (pyproject.toml) # mypy # opentelemetry-api @@ -663,7 +674,7 @@ typing-inspection==0.4.4 # mcp # pydantic # pydantic-settings -tzdata==2026.3 +tzdata==2026.4 # via arrow uncalled-for==0.4.0 # via fastmcp-slim @@ -676,21 +687,21 @@ urllib3==2.8.0 # botocore # requests # types-requests -uvicorn==0.52.3 +uvicorn==0.54.0 # via # fastmcp-slim # mcp -virtualenv==21.7.13 +virtualenv==21.14.5 # via pre-commit -watchfiles==1.2.0 +watchfiles==1.3.0 # via fastmcp-slim -wcwidth==0.8.2 +wcwidth==0.9.1 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==17.0.1 +websockets==17.1 # via fastmcp-slim -werkzeug==3.1.8 +werkzeug==3.1.9 # via flask -wrapt==2.3.0 +wrapt==2.5.0 # via deprecated