diff --git a/requirements/requirements-ubuntu-latest_py3.11.txt b/requirements/requirements-ubuntu-latest_py3.11.txt index c4d3aa0e..b3f6d111 100644 --- a/requirements/requirements-ubuntu-latest_py3.11.txt +++ b/requirements/requirements-ubuntu-latest_py3.11.txt @@ -4,23 +4,23 @@ # # pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.11.txt pyproject.toml # -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic arro3-core==0.8.1 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer -certifi==2026.5.20 +certifi==2026.7.22 # via requests -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests contourpy==1.3.3 # via matplotlib @@ -30,7 +30,7 @@ deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 # via deltalake -emmet-core==0.87.1 +emmet-core==0.87.2 # via mp-api (pyproject.toml) fonttools==4.63.0 # via matplotlib @@ -50,9 +50,9 @@ latexcodec==3.0.1 # via pybtex lxml==6.1.1 # via pymatgen-core -matplotlib==3.11.0 +matplotlib==3.11.1 # via pymatgen-core -monty==2026.5.18 +monty==2026.7.16 # via # emmet-core # mp-api (pyproject.toml) @@ -61,7 +61,7 @@ more-itertools==11.1.0 # via inflect mpmath==1.3.0 # via sympy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via pymatgen-core @@ -75,25 +75,25 @@ numpy==2.4.6 # pymatgen-io-validation # scipy # spglib -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # matplotlib # plotly palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via pymatgen-core pillow==12.3.0 # via matplotlib -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pubchempy==1.0.5 # via emmet-core -pyarrow==24.0.0 +pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core @@ -104,7 +104,7 @@ pydantic==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation @@ -112,10 +112,11 @@ pymatgen==2026.5.4 # via # emmet-core # mp-api (pyproject.toml) +pymatgen-core==2026.8.13 + # via + # pymatgen # pymatgen-io-validation -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-io-validation==0.1.4 # via emmet-core pyparsing==3.3.2 # via @@ -126,7 +127,7 @@ python-dateutil==2.9.0.post0 # botocore # matplotlib # pandas -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via pydantic-settings pyyaml==6.0.3 # via pybtex @@ -137,7 +138,7 @@ requests==2.34.2 # pymatgen-io-validation ruamel-yaml==0.19.1 # via monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 scipy==1.17.1 # via pymatgen-core @@ -149,11 +150,11 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -typing-extensions==4.15.0 +typing-extensions==4.16.0 # via # arro3-core # blake3 @@ -164,7 +165,7 @@ typing-extensions==4.15.0 # spglib # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # pydantic # pydantic-settings @@ -174,5 +175,5 @@ urllib3==2.7.0 # via # botocore # requests -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.11_extras.txt b/requirements/requirements-ubuntu-latest_py3.11_extras.txt index bca6684f..e77b5e9f 100644 --- a/requirements/requirements-ubuntu-latest_py3.11_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.11_extras.txt @@ -4,13 +4,13 @@ # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.11_extras.txt pyproject.toml # -aiofile==3.11.1 +aiofile==3.12.3 # via py-key-value-aio alabaster==1.0.0 # via sphinx -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic -anyio==4.13.0 +anyio==4.14.2 # via # httpx # mcp @@ -22,11 +22,11 @@ arro3-core==0.8.1 # via deltalake arrow==1.4.0 # via isoduration -ase==3.28.0 +ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.5.0 +ast-serialize==0.8.0 # via mypy -asttokens==3.0.1 +asttokens==3.0.2 # via stack-data attrs==26.1.0 # via @@ -44,15 +44,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core blinker==1.9.0 # via flask -boltons==25.0.0 +boltons==26.1.0 # via mp-api (pyproject.toml) -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer @@ -60,30 +60,30 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.1.4 +cachetools==7.1.7 # via # mp-api (pyproject.toml) # py-key-value-aio -caio==0.9.25 +caio==0.12.2 # via aiofile -certifi==2026.5.20 +certifi==2026.7.22 # via # httpcore # httpx # requests -cffi==2.0.0 +cffi==2.1.1 # via cryptography cfgv==3.5.0 # via pre-commit -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests -click==8.4.1 +click==8.4.2 # via # flask # uvicorn contourpy==1.3.3 # via matplotlib -coverage[toml]==7.14.1 +coverage[toml]==7.15.4 # via pytest-cov cryptography==50.0.0 # via @@ -95,10 +95,8 @@ custodian==2025.12.14 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==4.18.0 +cyclopts==4.23.0 # via fastmcp-slim -decorator==5.3.1 - # via ipython deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 @@ -116,7 +114,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.1 +emmet-core[all]==0.87.2 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -124,11 +122,11 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==3.4.2 +fastmcp==3.4.7 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==3.4.2 +fastmcp-slim[client,server]==3.4.7 # via fastmcp -filelock==3.29.4 +filelock==3.32.3 # via # python-discovery # virtualenv @@ -146,7 +144,7 @@ fonttools==4.63.0 # via matplotlib fqdn==1.5.1 # via jsonschema -griffelib==2.0.2 +griffelib==2.2.0 # via fastmcp-slim h11==0.16.0 # via @@ -171,7 +169,7 @@ idna==3.18 # httpx # jsonschema # requests -imageio==2.37.3 +imageio==2.37.4 # via scikit-image imagesize==2.0.0 # via sphinx @@ -183,7 +181,7 @@ inflect==7.5.0 # via emmet-core iniconfig==2.3.0 # via pytest -ipython==9.14.1 +ipython==9.16.1 # via mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -195,7 +193,7 @@ jaraco-classes==3.4.0 # via keyring jaraco-context==6.1.2 # via keyring -jaraco-functools==4.5.0 +jaraco-functools==4.6.0 # via keyring jedi==0.20.0 # via ipython @@ -215,7 +213,7 @@ joblib==1.5.3 # via # pymatgen-analysis-diffusion # pymatgen-core -joserfc==1.7.1 +joserfc==1.7.4 # via # authlib # fastmcp-slim @@ -246,7 +244,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image -librt==0.11.0 +librt==0.15.0 # via mypy lobsterpy==0.6.1 # via emmet-core @@ -259,7 +257,7 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.11.0 +matplotlib==3.11.1 # via # ase # phonopy @@ -269,13 +267,13 @@ matplotlib-inline==0.2.2 # via ipython mccabe==0.7.0 # via flake8 -mcp==1.28.1 +mcp==1.29.0 # via fastmcp-slim mdurl==0.1.2 # via markdown-it-py monotonic==1.6 # via bravado -monty==2026.5.18 +monty==2026.7.16 # via # custodian # emmet-core @@ -294,13 +292,13 @@ msgpack==1.2.1 # via # bravado # bravado-core -mypy==2.1.0 +mypy==2.3.1 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via @@ -333,13 +331,13 @@ numpy==2.4.6 # tifffile openapi-pydantic==0.5.1 # via fastmcp-slim -opentelemetry-api==1.42.1 +opentelemetry-api==1.44.0 # via fastmcp-slim -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # fastmcp-slim # lazy-loader @@ -350,7 +348,7 @@ packaging==26.2 # sphinx palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via # pymatgen-core # seaborn @@ -362,9 +360,9 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.2.1 +phonopy==4.4.0 # via emmet-core -phonors==0.2.1 +phonors==0.3.0 # via phonopy pillow==12.3.0 # via @@ -373,21 +371,20 @@ pillow==12.3.0 # scikit-image pint==0.25.3 # via mp-api (pyproject.toml) -platformdirs==4.10.0 +platformdirs==4.11.3 # via # fastmcp-slim # pint - # python-discovery # virtualenv -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.6.0 +pre-commit==4.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.52 +prompt-toolkit==3.0.53 # via ipython psutil==7.2.2 # via @@ -401,7 +398,7 @@ pure-eval==0.2.3 # via stack-data py-key-value-aio[filetree,keyring,memory]==0.4.5 # via fastmcp-slim -pyarrow==24.0.0 +pyarrow==25.0.1 # via # emmet-core # mp-api (pyproject.toml) @@ -425,7 +422,7 @@ pydantic[email]==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim @@ -433,7 +430,7 @@ pydantic-settings==2.14.2 # pymatgen-io-validation pyflakes==3.4.0 # via flake8 -pygments==2.20.0 +pygments==2.21.0 # via # ipython # ipython-pygments-lexers @@ -454,16 +451,18 @@ pymatgen==2026.5.4 # pymatgen-analysis-alloys # pymatgen-analysis-defects # pymatgen-analysis-diffusion - # pymatgen-io-validation pymatgen-analysis-alloys==0.0.9 # via emmet-core pymatgen-analysis-defects==2026.3.20 # via emmet-core pymatgen-analysis-diffusion==2025.11.15 # via emmet-core -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-core==2026.7.16 + # via + # emmet-core + # pymatgen + # pymatgen-io-validation +pymatgen-io-validation==0.1.4 # via emmet-core pymongo==4.17.0 # via @@ -475,7 +474,7 @@ pyparsing==3.3.2 # matplotlib pyperclip==1.11.0 # via fastmcp-slim -pytest==9.1.0 +pytest==9.1.1 # via # mp-api (pyproject.toml) # pytest-asyncio @@ -498,9 +497,9 @@ python-dateutil==2.9.0.post0 # bravado-core # matplotlib # pandas -python-discovery==1.4.2 +python-discovery==1.5.2 # via virtualenv -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via # fastmcp-slim # pydantic-settings @@ -508,7 +507,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.2 +pytz==2026.3.post1 # via bravado-core pyyaml==6.0.3 # via @@ -547,11 +546,11 @@ rich==15.0.0 # cyclopts # fastmcp-slim # rich-rst -rich-rst==2.0.1 +rich-rst==2.1.0 # via cyclopts roman-numerals==4.1.0 # via sphinx -rpds-py==2026.5.1 +rpds-py==2026.6.3 # via # jsonschema # referencing @@ -559,7 +558,7 @@ ruamel-yaml==0.19.1 # via # custodian # monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects @@ -609,11 +608,11 @@ sphinxcontrib-qthelp==2.0.0 # via sphinx sphinxcontrib-serializinghtml==2.0.0 # via sphinx -sse-starlette==3.4.4 +sse-starlette==3.4.8 # via mcp stack-data==0.6.3 # via ipython -starlette==1.3.1 +starlette==1.6.0 # via # fastmcp-slim # mcp @@ -622,7 +621,7 @@ swagger-spec-validator==3.0.4 # via # bravado-core # mp-api (pyproject.toml) -symfc==1.7.2 +symfc==1.7.3 # via phonopy sympy==1.14.0 # via pymatgen-core @@ -630,26 +629,25 @@ tabulate==0.10.0 # via pymatgen-core tifffile==2026.3.3 # via scikit-image -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -traitlets==5.15.1 +traitlets==5.16.1 # via # ipython # matplotlib-inline -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260518 - # via - # mp-api (pyproject.toml) - # types-tqdm -types-setuptools==82.0.0.20260518 +types-requests==2.33.0.20260712 # via mp-api (pyproject.toml) -types-tqdm==4.68.0.20260608 +types-setuptools==84.0.0.20260812 # via mp-api (pyproject.toml) -typing-extensions==4.15.0 +types-tqdm==4.70.0.20260805 + # via mp-api (pyproject.toml) +typing-extensions==4.16.0 # via # anyio # arro3-core + # ase # blake3 # bravado # emmet-core @@ -673,14 +671,14 @@ typing-extensions==4.15.0 # swagger-spec-validator # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # mcp # pydantic # pydantic-settings -tzdata==2026.2 +tzdata==2026.3 # via arrow -uncalled-for==0.3.2 +uncalled-for==0.4.0 # via fastmcp-slim uncertainties==3.2.3 # via pymatgen-core @@ -691,23 +689,23 @@ urllib3==2.7.0 # botocore # requests # types-requests -uvicorn==0.49.0 +uvicorn==0.52.3 # via # fastmcp-slim # mcp -virtualenv==21.5.0 +virtualenv==21.7.4 # via pre-commit watchfiles==1.2.0 # via fastmcp-slim -wcwidth==0.8.1 +wcwidth==0.8.2 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==16.0 +websockets==17.0.1 # via fastmcp-slim werkzeug==3.1.8 # via flask -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated zipp==4.1.0 # via importlib-metadata diff --git a/requirements/requirements-ubuntu-latest_py3.12.txt b/requirements/requirements-ubuntu-latest_py3.12.txt index ce8ece82..49901d77 100644 --- a/requirements/requirements-ubuntu-latest_py3.12.txt +++ b/requirements/requirements-ubuntu-latest_py3.12.txt @@ -4,23 +4,23 @@ # # pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.12.txt pyproject.toml # -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic arro3-core==0.8.1 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer -certifi==2026.5.20 +certifi==2026.7.22 # via requests -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests contourpy==1.3.3 # via matplotlib @@ -30,7 +30,7 @@ deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 # via deltalake -emmet-core==0.87.1 +emmet-core==0.87.2 # via mp-api (pyproject.toml) fonttools==4.63.0 # via matplotlib @@ -50,9 +50,9 @@ latexcodec==3.0.1 # via pybtex lxml==6.1.1 # via pymatgen-core -matplotlib==3.11.0 +matplotlib==3.11.1 # via pymatgen-core -monty==2026.5.18 +monty==2026.7.16 # via # emmet-core # mp-api (pyproject.toml) @@ -61,11 +61,11 @@ more-itertools==11.1.0 # via inflect mpmath==1.3.0 # via sympy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via pymatgen-core -numpy==2.4.6 +numpy==2.5.2 # via # contourpy # matplotlib @@ -75,25 +75,25 @@ numpy==2.4.6 # pymatgen-io-validation # scipy # spglib -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # matplotlib # plotly palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via pymatgen-core pillow==12.3.0 # via matplotlib -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pubchempy==1.0.5 # via emmet-core -pyarrow==24.0.0 +pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core @@ -104,7 +104,7 @@ pydantic==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation @@ -112,10 +112,11 @@ pymatgen==2026.5.4 # via # emmet-core # mp-api (pyproject.toml) +pymatgen-core==2026.8.13 + # via + # pymatgen # pymatgen-io-validation -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-io-validation==0.1.4 # via emmet-core pyparsing==3.3.2 # via @@ -126,7 +127,7 @@ python-dateutil==2.9.0.post0 # botocore # matplotlib # pandas -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via pydantic-settings pyyaml==6.0.3 # via pybtex @@ -137,9 +138,9 @@ requests==2.34.2 # pymatgen-io-validation ruamel-yaml==0.19.1 # via monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 -scipy==1.17.1 +scipy==1.18.0 # via pymatgen-core six==1.17.0 # via python-dateutil @@ -149,11 +150,11 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -typing-extensions==4.15.0 +typing-extensions==4.16.0 # via # emmet-core # mp-api (pyproject.toml) @@ -162,7 +163,7 @@ typing-extensions==4.15.0 # spglib # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # pydantic # pydantic-settings @@ -172,5 +173,5 @@ urllib3==2.7.0 # via # botocore # requests -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.12_extras.txt b/requirements/requirements-ubuntu-latest_py3.12_extras.txt index 584da2bf..ac3469c2 100644 --- a/requirements/requirements-ubuntu-latest_py3.12_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.12_extras.txt @@ -4,13 +4,13 @@ # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.12_extras.txt pyproject.toml # -aiofile==3.11.1 +aiofile==3.12.3 # via py-key-value-aio alabaster==1.0.0 # via sphinx -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic -anyio==4.13.0 +anyio==4.14.2 # via # httpx # mcp @@ -22,11 +22,11 @@ arro3-core==0.8.1 # via deltalake arrow==1.4.0 # via isoduration -ase==3.28.0 +ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.5.0 +ast-serialize==0.8.0 # via mypy -asttokens==3.0.1 +asttokens==3.0.2 # via stack-data attrs==26.1.0 # via @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core blinker==1.9.0 # via flask -boltons==25.0.0 +boltons==26.1.0 # via mp-api (pyproject.toml) -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer @@ -58,30 +58,30 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.1.4 +cachetools==7.1.7 # via # mp-api (pyproject.toml) # py-key-value-aio -caio==0.9.25 +caio==0.12.2 # via aiofile -certifi==2026.5.20 +certifi==2026.7.22 # via # httpcore # httpx # requests -cffi==2.0.0 +cffi==2.1.1 # via cryptography cfgv==3.5.0 # via pre-commit -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests -click==8.4.1 +click==8.4.2 # via # flask # uvicorn contourpy==1.3.3 # via matplotlib -coverage[toml]==7.14.1 +coverage[toml]==7.15.4 # via pytest-cov cryptography==50.0.0 # via @@ -93,10 +93,8 @@ custodian==2025.12.14 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==4.18.0 +cyclopts==4.23.0 # via fastmcp-slim -decorator==5.3.1 - # via ipython deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 @@ -114,7 +112,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.1 +emmet-core[all]==0.87.2 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -122,11 +120,11 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==3.4.2 +fastmcp==3.4.7 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==3.4.2 +fastmcp-slim[client,server]==3.4.7 # via fastmcp -filelock==3.29.4 +filelock==3.32.3 # via # python-discovery # virtualenv @@ -144,7 +142,7 @@ fonttools==4.63.0 # via matplotlib fqdn==1.5.1 # via jsonschema -griffelib==2.0.2 +griffelib==2.2.0 # via fastmcp-slim h11==0.16.0 # via @@ -169,7 +167,7 @@ idna==3.18 # httpx # jsonschema # requests -imageio==2.37.3 +imageio==2.37.4 # via scikit-image imagesize==2.0.0 # via sphinx @@ -179,7 +177,7 @@ inflect==7.5.0 # via emmet-core iniconfig==2.3.0 # via pytest -ipython==9.14.1 +ipython==9.16.1 # via mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -191,7 +189,7 @@ jaraco-classes==3.4.0 # via keyring jaraco-context==6.1.2 # via keyring -jaraco-functools==4.5.0 +jaraco-functools==4.6.0 # via keyring jedi==0.20.0 # via ipython @@ -211,7 +209,7 @@ joblib==1.5.3 # via # pymatgen-analysis-diffusion # pymatgen-core -joserfc==1.7.1 +joserfc==1.7.4 # via # authlib # fastmcp-slim @@ -242,7 +240,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image -librt==0.11.0 +librt==0.15.0 # via mypy lobsterpy==0.6.1 # via emmet-core @@ -255,7 +253,7 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.11.0 +matplotlib==3.11.1 # via # ase # phonopy @@ -265,13 +263,13 @@ matplotlib-inline==0.2.2 # via ipython mccabe==0.7.0 # via flake8 -mcp==1.28.1 +mcp==1.29.0 # via fastmcp-slim mdurl==0.1.2 # via markdown-it-py monotonic==1.6 # via bravado -monty==2026.5.18 +monty==2026.7.16 # via # custodian # emmet-core @@ -290,13 +288,13 @@ msgpack==1.2.1 # via # bravado # bravado-core -mypy==2.1.0 +mypy==2.3.1 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via @@ -304,7 +302,7 @@ networkx==3.6.1 # scikit-image nodeenv==1.10.0 # via pre-commit -numpy==2.4.6 +numpy==2.5.2 # via # ase # contourpy @@ -329,13 +327,13 @@ numpy==2.4.6 # tifffile openapi-pydantic==0.5.1 # via fastmcp-slim -opentelemetry-api==1.42.1 +opentelemetry-api==1.44.0 # via fastmcp-slim -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # fastmcp-slim # lazy-loader @@ -346,7 +344,7 @@ packaging==26.2 # sphinx palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via # pymatgen-core # seaborn @@ -358,9 +356,9 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.2.1 +phonopy==4.4.0 # via emmet-core -phonors==0.2.1 +phonors==0.3.0 # via phonopy pillow==12.3.0 # via @@ -369,21 +367,20 @@ pillow==12.3.0 # scikit-image pint==0.25.3 # via mp-api (pyproject.toml) -platformdirs==4.10.0 +platformdirs==4.11.3 # via # fastmcp-slim # pint - # python-discovery # virtualenv -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.6.0 +pre-commit==4.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.52 +prompt-toolkit==3.0.53 # via ipython psutil==7.2.2 # via @@ -397,7 +394,7 @@ pure-eval==0.2.3 # via stack-data py-key-value-aio[filetree,keyring,memory]==0.4.5 # via fastmcp-slim -pyarrow==24.0.0 +pyarrow==25.0.1 # via # emmet-core # mp-api (pyproject.toml) @@ -421,7 +418,7 @@ pydantic[email]==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim @@ -429,7 +426,7 @@ pydantic-settings==2.14.2 # pymatgen-io-validation pyflakes==3.4.0 # via flake8 -pygments==2.20.0 +pygments==2.21.0 # via # ipython # ipython-pygments-lexers @@ -450,16 +447,18 @@ pymatgen==2026.5.4 # pymatgen-analysis-alloys # pymatgen-analysis-defects # pymatgen-analysis-diffusion - # pymatgen-io-validation pymatgen-analysis-alloys==0.0.9 # via emmet-core pymatgen-analysis-defects==2026.3.20 # via emmet-core pymatgen-analysis-diffusion==2025.11.15 # via emmet-core -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-core==2026.7.16 + # via + # emmet-core + # pymatgen + # pymatgen-io-validation +pymatgen-io-validation==0.1.4 # via emmet-core pymongo==4.17.0 # via @@ -471,7 +470,7 @@ pyparsing==3.3.2 # matplotlib pyperclip==1.11.0 # via fastmcp-slim -pytest==9.1.0 +pytest==9.1.1 # via # mp-api (pyproject.toml) # pytest-asyncio @@ -494,9 +493,9 @@ python-dateutil==2.9.0.post0 # bravado-core # matplotlib # pandas -python-discovery==1.4.2 +python-discovery==1.5.2 # via virtualenv -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via # fastmcp-slim # pydantic-settings @@ -504,7 +503,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.2 +pytz==2026.3.post1 # via bravado-core pyyaml==6.0.3 # via @@ -543,11 +542,11 @@ rich==15.0.0 # cyclopts # fastmcp-slim # rich-rst -rich-rst==2.0.1 +rich-rst==2.1.0 # via cyclopts roman-numerals==4.1.0 # via sphinx -rpds-py==2026.5.1 +rpds-py==2026.6.3 # via # jsonschema # referencing @@ -555,11 +554,11 @@ ruamel-yaml==0.19.1 # via # custodian # monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scipy==1.17.1 +scipy==1.18.0 # via # ase # pymatgen-core @@ -605,11 +604,11 @@ sphinxcontrib-qthelp==2.0.0 # via sphinx sphinxcontrib-serializinghtml==2.0.0 # via sphinx -sse-starlette==3.4.4 +sse-starlette==3.4.8 # via mcp stack-data==0.6.3 # via ipython -starlette==1.3.1 +starlette==1.6.0 # via # fastmcp-slim # mcp @@ -618,33 +617,32 @@ swagger-spec-validator==3.0.4 # via # bravado-core # mp-api (pyproject.toml) -symfc==1.7.2 +symfc==1.7.3 # via phonopy sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tifffile==2026.6.1 +tifffile==2026.8.16 # via scikit-image -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -traitlets==5.15.1 +traitlets==5.16.1 # via # ipython # matplotlib-inline -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260518 - # via - # mp-api (pyproject.toml) - # types-tqdm -types-setuptools==82.0.0.20260518 +types-requests==2.33.0.20260712 # via mp-api (pyproject.toml) -types-tqdm==4.68.0.20260608 +types-setuptools==84.0.0.20260812 # via mp-api (pyproject.toml) -typing-extensions==4.15.0 +types-tqdm==4.70.0.20260805 + # via mp-api (pyproject.toml) +typing-extensions==4.16.0 # via # anyio + # ase # bravado # emmet-core # exceptiongroup @@ -666,14 +664,14 @@ typing-extensions==4.15.0 # swagger-spec-validator # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # mcp # pydantic # pydantic-settings -tzdata==2026.2 +tzdata==2026.3 # via arrow -uncalled-for==0.3.2 +uncalled-for==0.4.0 # via fastmcp-slim uncertainties==3.2.3 # via pymatgen-core @@ -684,21 +682,21 @@ urllib3==2.7.0 # botocore # requests # types-requests -uvicorn==0.49.0 +uvicorn==0.52.3 # via # fastmcp-slim # mcp -virtualenv==21.5.0 +virtualenv==21.7.4 # via pre-commit watchfiles==1.2.0 # via fastmcp-slim -wcwidth==0.8.1 +wcwidth==0.8.2 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==16.0 +websockets==17.0.1 # via fastmcp-slim werkzeug==3.1.8 # via flask -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.13.txt b/requirements/requirements-ubuntu-latest_py3.13.txt index c18c7418..49812856 100644 --- a/requirements/requirements-ubuntu-latest_py3.13.txt +++ b/requirements/requirements-ubuntu-latest_py3.13.txt @@ -4,23 +4,23 @@ # # pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.13.txt pyproject.toml # -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic arro3-core==0.8.1 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer -certifi==2026.5.20 +certifi==2026.7.22 # via requests -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests contourpy==1.3.3 # via matplotlib @@ -30,7 +30,7 @@ deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 # via deltalake -emmet-core==0.87.1 +emmet-core==0.87.2 # via mp-api (pyproject.toml) fonttools==4.63.0 # via matplotlib @@ -50,9 +50,9 @@ latexcodec==3.0.1 # via pybtex lxml==6.1.1 # via pymatgen-core -matplotlib==3.11.0 +matplotlib==3.11.1 # via pymatgen-core -monty==2026.5.18 +monty==2026.7.16 # via # emmet-core # mp-api (pyproject.toml) @@ -61,11 +61,11 @@ more-itertools==11.1.0 # via inflect mpmath==1.3.0 # via sympy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via pymatgen-core -numpy==2.4.6 +numpy==2.5.2 # via # contourpy # matplotlib @@ -75,25 +75,25 @@ numpy==2.4.6 # pymatgen-io-validation # scipy # spglib -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # matplotlib # plotly palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via pymatgen-core pillow==12.3.0 # via matplotlib -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pubchempy==1.0.5 # via emmet-core -pyarrow==24.0.0 +pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core @@ -104,7 +104,7 @@ pydantic==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation @@ -112,10 +112,11 @@ pymatgen==2026.5.4 # via # emmet-core # mp-api (pyproject.toml) +pymatgen-core==2026.8.13 + # via + # pymatgen # pymatgen-io-validation -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-io-validation==0.1.4 # via emmet-core pyparsing==3.3.2 # via @@ -126,7 +127,7 @@ python-dateutil==2.9.0.post0 # botocore # matplotlib # pandas -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via pydantic-settings pyyaml==6.0.3 # via pybtex @@ -137,9 +138,9 @@ requests==2.34.2 # pymatgen-io-validation ruamel-yaml==0.19.1 # via monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 -scipy==1.17.1 +scipy==1.18.0 # via pymatgen-core six==1.17.0 # via python-dateutil @@ -149,11 +150,11 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -typing-extensions==4.15.0 +typing-extensions==4.16.0 # via # emmet-core # mp-api (pyproject.toml) @@ -161,7 +162,7 @@ typing-extensions==4.15.0 # pydantic-core # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # pydantic # pydantic-settings @@ -171,5 +172,5 @@ urllib3==2.7.0 # via # botocore # requests -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.13_extras.txt b/requirements/requirements-ubuntu-latest_py3.13_extras.txt index 18c59367..adc49f8e 100644 --- a/requirements/requirements-ubuntu-latest_py3.13_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.13_extras.txt @@ -4,13 +4,13 @@ # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.13_extras.txt pyproject.toml # -aiofile==3.11.1 +aiofile==3.12.3 # via py-key-value-aio alabaster==1.0.0 # via sphinx -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic -anyio==4.13.0 +anyio==4.14.2 # via # httpx # mcp @@ -22,11 +22,11 @@ arro3-core==0.8.1 # via deltalake arrow==1.4.0 # via isoduration -ase==3.28.0 +ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.5.0 +ast-serialize==0.8.0 # via mypy -asttokens==3.0.1 +asttokens==3.0.2 # via stack-data attrs==26.1.0 # via @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core blinker==1.9.0 # via flask -boltons==25.0.0 +boltons==26.1.0 # via mp-api (pyproject.toml) -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer @@ -58,30 +58,30 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.1.4 +cachetools==7.1.7 # via # mp-api (pyproject.toml) # py-key-value-aio -caio==0.9.25 +caio==0.12.2 # via aiofile -certifi==2026.5.20 +certifi==2026.7.22 # via # httpcore # httpx # requests -cffi==2.0.0 +cffi==2.1.1 # via cryptography cfgv==3.5.0 # via pre-commit -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests -click==8.4.1 +click==8.4.2 # via # flask # uvicorn contourpy==1.3.3 # via matplotlib -coverage[toml]==7.14.1 +coverage[toml]==7.15.4 # via pytest-cov cryptography==50.0.0 # via @@ -93,10 +93,8 @@ custodian==2025.12.14 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==4.18.0 +cyclopts==4.23.0 # via fastmcp-slim -decorator==5.3.1 - # via ipython deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 @@ -114,7 +112,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.1 +emmet-core[all]==0.87.2 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -122,11 +120,11 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==3.4.2 +fastmcp==3.4.7 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==3.4.2 +fastmcp-slim[client,server]==3.4.7 # via fastmcp -filelock==3.29.4 +filelock==3.32.3 # via # python-discovery # virtualenv @@ -144,7 +142,7 @@ fonttools==4.63.0 # via matplotlib fqdn==1.5.1 # via jsonschema -griffelib==2.0.2 +griffelib==2.2.0 # via fastmcp-slim h11==0.16.0 # via @@ -169,7 +167,7 @@ idna==3.18 # httpx # jsonschema # requests -imageio==2.37.3 +imageio==2.37.4 # via scikit-image imagesize==2.0.0 # via sphinx @@ -179,7 +177,7 @@ inflect==7.5.0 # via emmet-core iniconfig==2.3.0 # via pytest -ipython==9.14.1 +ipython==9.16.1 # via mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -191,7 +189,7 @@ jaraco-classes==3.4.0 # via keyring jaraco-context==6.1.2 # via keyring -jaraco-functools==4.5.0 +jaraco-functools==4.6.0 # via keyring jedi==0.20.0 # via ipython @@ -211,7 +209,7 @@ joblib==1.5.3 # via # pymatgen-analysis-diffusion # pymatgen-core -joserfc==1.7.1 +joserfc==1.7.4 # via # authlib # fastmcp-slim @@ -242,7 +240,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image -librt==0.11.0 +librt==0.15.0 # via mypy lobsterpy==0.6.1 # via emmet-core @@ -255,7 +253,7 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.11.0 +matplotlib==3.11.1 # via # ase # phonopy @@ -265,13 +263,13 @@ matplotlib-inline==0.2.2 # via ipython mccabe==0.7.0 # via flake8 -mcp==1.28.1 +mcp==1.29.0 # via fastmcp-slim mdurl==0.1.2 # via markdown-it-py monotonic==1.6 # via bravado -monty==2026.5.18 +monty==2026.7.16 # via # custodian # emmet-core @@ -290,13 +288,13 @@ msgpack==1.2.1 # via # bravado # bravado-core -mypy==2.1.0 +mypy==2.3.1 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via @@ -304,7 +302,7 @@ networkx==3.6.1 # scikit-image nodeenv==1.10.0 # via pre-commit -numpy==2.4.6 +numpy==2.5.2 # via # ase # contourpy @@ -329,13 +327,13 @@ numpy==2.4.6 # tifffile openapi-pydantic==0.5.1 # via fastmcp-slim -opentelemetry-api==1.42.1 +opentelemetry-api==1.44.0 # via fastmcp-slim -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # fastmcp-slim # lazy-loader @@ -346,7 +344,7 @@ packaging==26.2 # sphinx palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via # pymatgen-core # seaborn @@ -358,9 +356,9 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.2.1 +phonopy==4.4.0 # via emmet-core -phonors==0.2.1 +phonors==0.3.0 # via phonopy pillow==12.3.0 # via @@ -369,21 +367,20 @@ pillow==12.3.0 # scikit-image pint==0.25.3 # via mp-api (pyproject.toml) -platformdirs==4.10.0 +platformdirs==4.11.3 # via # fastmcp-slim # pint - # python-discovery # virtualenv -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.6.0 +pre-commit==4.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.52 +prompt-toolkit==3.0.53 # via ipython psutil==7.2.2 # via @@ -397,7 +394,7 @@ pure-eval==0.2.3 # via stack-data py-key-value-aio[filetree,keyring,memory]==0.4.5 # via fastmcp-slim -pyarrow==24.0.0 +pyarrow==25.0.1 # via # emmet-core # mp-api (pyproject.toml) @@ -421,7 +418,7 @@ pydantic[email]==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim @@ -429,7 +426,7 @@ pydantic-settings==2.14.2 # pymatgen-io-validation pyflakes==3.4.0 # via flake8 -pygments==2.20.0 +pygments==2.21.0 # via # ipython # ipython-pygments-lexers @@ -450,16 +447,18 @@ pymatgen==2026.5.4 # pymatgen-analysis-alloys # pymatgen-analysis-defects # pymatgen-analysis-diffusion - # pymatgen-io-validation pymatgen-analysis-alloys==0.0.9 # via emmet-core pymatgen-analysis-defects==2026.3.20 # via emmet-core pymatgen-analysis-diffusion==2025.11.15 # via emmet-core -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-core==2026.7.16 + # via + # emmet-core + # pymatgen + # pymatgen-io-validation +pymatgen-io-validation==0.1.4 # via emmet-core pymongo==4.17.0 # via @@ -471,7 +470,7 @@ pyparsing==3.3.2 # matplotlib pyperclip==1.11.0 # via fastmcp-slim -pytest==9.1.0 +pytest==9.1.1 # via # mp-api (pyproject.toml) # pytest-asyncio @@ -494,9 +493,9 @@ python-dateutil==2.9.0.post0 # bravado-core # matplotlib # pandas -python-discovery==1.4.2 +python-discovery==1.5.2 # via virtualenv -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via # fastmcp-slim # pydantic-settings @@ -504,7 +503,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.2 +pytz==2026.3.post1 # via bravado-core pyyaml==6.0.3 # via @@ -543,11 +542,11 @@ rich==15.0.0 # cyclopts # fastmcp-slim # rich-rst -rich-rst==2.0.1 +rich-rst==2.1.0 # via cyclopts roman-numerals==4.1.0 # via sphinx -rpds-py==2026.5.1 +rpds-py==2026.6.3 # via # jsonschema # referencing @@ -555,11 +554,11 @@ ruamel-yaml==0.19.1 # via # custodian # monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scipy==1.17.1 +scipy==1.18.0 # via # ase # pymatgen-core @@ -605,11 +604,11 @@ sphinxcontrib-qthelp==2.0.0 # via sphinx sphinxcontrib-serializinghtml==2.0.0 # via sphinx -sse-starlette==3.4.4 +sse-starlette==3.4.8 # via mcp stack-data==0.6.3 # via ipython -starlette==1.3.1 +starlette==1.6.0 # via # fastmcp-slim # mcp @@ -618,32 +617,31 @@ swagger-spec-validator==3.0.4 # via # bravado-core # mp-api (pyproject.toml) -symfc==1.7.2 +symfc==1.7.3 # via phonopy sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tifffile==2026.6.1 +tifffile==2026.8.16 # via scikit-image -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -traitlets==5.15.1 +traitlets==5.16.1 # via # ipython # matplotlib-inline -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260518 - # via - # mp-api (pyproject.toml) - # types-tqdm -types-setuptools==82.0.0.20260518 +types-requests==2.33.0.20260712 # via mp-api (pyproject.toml) -types-tqdm==4.68.0.20260608 +types-setuptools==84.0.0.20260812 # via mp-api (pyproject.toml) -typing-extensions==4.15.0 +types-tqdm==4.70.0.20260805 + # via mp-api (pyproject.toml) +typing-extensions==4.16.0 # via + # ase # bravado # emmet-core # fastmcp-slim @@ -660,14 +658,14 @@ typing-extensions==4.15.0 # swagger-spec-validator # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # mcp # pydantic # pydantic-settings -tzdata==2026.2 +tzdata==2026.3 # via arrow -uncalled-for==0.3.2 +uncalled-for==0.4.0 # via fastmcp-slim uncertainties==3.2.3 # via pymatgen-core @@ -678,21 +676,21 @@ urllib3==2.7.0 # botocore # requests # types-requests -uvicorn==0.49.0 +uvicorn==0.52.3 # via # fastmcp-slim # mcp -virtualenv==21.5.0 +virtualenv==21.7.4 # via pre-commit watchfiles==1.2.0 # via fastmcp-slim -wcwidth==0.8.1 +wcwidth==0.8.2 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==16.0 +websockets==17.0.1 # via fastmcp-slim werkzeug==3.1.8 # via flask -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.14.txt b/requirements/requirements-ubuntu-latest_py3.14.txt index 59535233..0c578bd8 100644 --- a/requirements/requirements-ubuntu-latest_py3.14.txt +++ b/requirements/requirements-ubuntu-latest_py3.14.txt @@ -4,23 +4,23 @@ # # pip-compile --output-file=requirements/requirements-ubuntu-latest_py3.14.txt pyproject.toml # -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic arro3-core==0.8.1 # via deltalake bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer -certifi==2026.5.20 +certifi==2026.7.22 # via requests -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests contourpy==1.3.3 # via matplotlib @@ -30,7 +30,7 @@ deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 # via deltalake -emmet-core==0.87.1 +emmet-core==0.87.2 # via mp-api (pyproject.toml) fonttools==4.63.0 # via matplotlib @@ -50,9 +50,9 @@ latexcodec==3.0.1 # via pybtex lxml==6.1.1 # via pymatgen-core -matplotlib==3.11.0 +matplotlib==3.11.1 # via pymatgen-core -monty==2026.5.18 +monty==2026.7.16 # via # emmet-core # mp-api (pyproject.toml) @@ -61,11 +61,11 @@ more-itertools==11.1.0 # via inflect mpmath==1.3.0 # via sympy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via pymatgen-core -numpy==2.4.6 +numpy==2.5.2 # via # contourpy # matplotlib @@ -75,25 +75,25 @@ numpy==2.4.6 # pymatgen-io-validation # scipy # spglib -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # matplotlib # plotly palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via pymatgen-core pillow==12.3.0 # via matplotlib -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pubchempy==1.0.5 # via emmet-core -pyarrow==24.0.0 +pyarrow==25.0.1 # via mp-api (pyproject.toml) pybtex==0.26.1 # via emmet-core @@ -104,7 +104,7 @@ pydantic==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # pymatgen-io-validation @@ -112,10 +112,11 @@ pymatgen==2026.5.4 # via # emmet-core # mp-api (pyproject.toml) +pymatgen-core==2026.8.13 + # via + # pymatgen # pymatgen-io-validation -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-io-validation==0.1.4 # via emmet-core pyparsing==3.3.2 # via @@ -126,7 +127,7 @@ python-dateutil==2.9.0.post0 # botocore # matplotlib # pandas -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via pydantic-settings pyyaml==6.0.3 # via pybtex @@ -137,9 +138,9 @@ requests==2.34.2 # pymatgen-io-validation ruamel-yaml==0.19.1 # via monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 -scipy==1.17.1 +scipy==1.18.0 # via pymatgen-core six==1.17.0 # via python-dateutil @@ -149,11 +150,11 @@ sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -typing-extensions==4.15.0 +typing-extensions==4.16.0 # via # emmet-core # mp-api (pyproject.toml) @@ -161,7 +162,7 @@ typing-extensions==4.15.0 # pydantic-core # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # pydantic # pydantic-settings @@ -171,5 +172,5 @@ urllib3==2.7.0 # via # botocore # requests -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated diff --git a/requirements/requirements-ubuntu-latest_py3.14_extras.txt b/requirements/requirements-ubuntu-latest_py3.14_extras.txt index a776c0e9..6fcbf877 100644 --- a/requirements/requirements-ubuntu-latest_py3.14_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.14_extras.txt @@ -4,13 +4,13 @@ # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.14_extras.txt pyproject.toml # -aiofile==3.11.1 +aiofile==3.12.3 # via py-key-value-aio alabaster==1.0.0 # via sphinx -annotated-types==0.7.0 +annotated-types==0.8.0 # via pydantic -anyio==4.13.0 +anyio==4.14.2 # via # httpx # mcp @@ -22,11 +22,11 @@ arro3-core==0.8.1 # via deltalake arrow==1.4.0 # via isoduration -ase==3.28.0 +ase==3.29.0 # via pymatgen-analysis-diffusion -ast-serialize==0.5.0 +ast-serialize==0.8.0 # via mypy -asttokens==3.0.1 +asttokens==3.0.2 # via stack-data attrs==26.1.0 # via @@ -42,15 +42,15 @@ beartype==0.22.9 # via py-key-value-aio bibtexparser==1.4.4 # via pymatgen-core -blake3==1.0.8 +blake3==1.0.9 # via emmet-core blinker==1.9.0 # via flask -boltons==25.0.0 +boltons==26.1.0 # via mp-api (pyproject.toml) -boto3==1.43.29 +boto3==1.43.73 # via mp-api (pyproject.toml) -botocore==1.43.29 +botocore==1.43.73 # via # boto3 # s3transfer @@ -58,30 +58,30 @@ bravado==12.0.1 # via mp-api (pyproject.toml) bravado-core==6.4.1 # via bravado -cachetools==7.1.4 +cachetools==7.1.7 # via # mp-api (pyproject.toml) # py-key-value-aio -caio==0.9.25 +caio==0.12.2 # via aiofile -certifi==2026.5.20 +certifi==2026.7.22 # via # httpcore # httpx # requests -cffi==2.0.0 +cffi==2.1.1 # via cryptography cfgv==3.5.0 # via pre-commit -charset-normalizer==3.4.7 +charset-normalizer==3.5.1 # via requests -click==8.4.1 +click==8.4.2 # via # flask # uvicorn contourpy==1.3.3 # via matplotlib -coverage[toml]==7.14.1 +coverage[toml]==7.15.4 # via pytest-cov cryptography==50.0.0 # via @@ -93,10 +93,8 @@ custodian==2025.12.14 # via mp-api (pyproject.toml) cycler==0.12.1 # via matplotlib -cyclopts==4.18.0 +cyclopts==4.23.0 # via fastmcp-slim -decorator==5.3.1 - # via ipython deltalake==1.5.1 # via mp-api (pyproject.toml) deprecated==1.3.1 @@ -114,7 +112,7 @@ docutils==0.22.4 # via sphinx email-validator==2.3.0 # via pydantic -emmet-core[all]==0.87.1 +emmet-core[all]==0.87.2 # via mp-api (pyproject.toml) exceptiongroup==1.3.1 # via fastmcp-slim @@ -122,11 +120,11 @@ execnet==2.1.2 # via pytest-xdist executing==2.2.1 # via stack-data -fastmcp==3.4.2 +fastmcp==3.4.7 # via mp-api (pyproject.toml) -fastmcp-slim[client,server]==3.4.2 +fastmcp-slim[client,server]==3.4.7 # via fastmcp -filelock==3.29.4 +filelock==3.32.3 # via # python-discovery # virtualenv @@ -144,7 +142,7 @@ fonttools==4.63.0 # via matplotlib fqdn==1.5.1 # via jsonschema -griffelib==2.0.2 +griffelib==2.2.0 # via fastmcp-slim h11==0.16.0 # via @@ -169,7 +167,7 @@ idna==3.18 # httpx # jsonschema # requests -imageio==2.37.3 +imageio==2.37.4 # via scikit-image imagesize==2.0.0 # via sphinx @@ -179,7 +177,7 @@ inflect==7.5.0 # via emmet-core iniconfig==2.3.0 # via pytest -ipython==9.14.1 +ipython==9.16.1 # via mp-api (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -191,7 +189,7 @@ jaraco-classes==3.4.0 # via keyring jaraco-context==6.1.2 # via keyring -jaraco-functools==4.5.0 +jaraco-functools==4.6.0 # via keyring jedi==0.20.0 # via ipython @@ -211,7 +209,7 @@ joblib==1.5.3 # via # pymatgen-analysis-diffusion # pymatgen-core -joserfc==1.7.1 +joserfc==1.7.4 # via # authlib # fastmcp-slim @@ -242,7 +240,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image -librt==0.11.0 +librt==0.15.0 # via mypy lobsterpy==0.6.1 # via emmet-core @@ -255,7 +253,7 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.11.0 +matplotlib==3.11.1 # via # ase # phonopy @@ -265,13 +263,13 @@ matplotlib-inline==0.2.2 # via ipython mccabe==0.7.0 # via flake8 -mcp==1.28.1 +mcp==1.29.0 # via fastmcp-slim mdurl==0.1.2 # via markdown-it-py monotonic==1.6 # via bravado -monty==2026.5.18 +monty==2026.7.16 # via # custodian # emmet-core @@ -290,13 +288,13 @@ msgpack==1.2.1 # via # bravado # bravado-core -mypy==2.1.0 +mypy==2.3.1 # via mp-api (pyproject.toml) mypy-extensions==1.1.0 # via # mp-api (pyproject.toml) # mypy -narwhals==2.22.1 +narwhals==2.24.0 # via plotly networkx==3.6.1 # via @@ -304,7 +302,7 @@ networkx==3.6.1 # scikit-image nodeenv==1.10.0 # via pre-commit -numpy==2.4.6 +numpy==2.5.2 # via # ase # contourpy @@ -329,13 +327,13 @@ numpy==2.4.6 # tifffile openapi-pydantic==0.5.1 # via fastmcp-slim -opentelemetry-api==1.42.1 +opentelemetry-api==1.44.0 # via fastmcp-slim -orjson==3.11.9 +orjson==3.12.0 # via # mp-api (pyproject.toml) # pymatgen-core -packaging==26.2 +packaging==26.3 # via # fastmcp-slim # lazy-loader @@ -346,7 +344,7 @@ packaging==26.2 # sphinx palettable==3.3.3 # via pymatgen-core -pandas==3.0.3 +pandas==3.0.5 # via # pymatgen-core # seaborn @@ -358,9 +356,9 @@ pathspec==1.1.1 # via mypy pexpect==4.9.0 # via ipython -phonopy==4.2.1 +phonopy==4.4.0 # via emmet-core -phonors==0.2.1 +phonors==0.3.0 # via phonopy pillow==12.3.0 # via @@ -369,21 +367,20 @@ pillow==12.3.0 # scikit-image pint==0.25.3 # via mp-api (pyproject.toml) -platformdirs==4.10.0 +platformdirs==4.11.3 # via # fastmcp-slim # pint - # python-discovery # virtualenv -plotly==6.8.0 +plotly==6.9.0 # via pymatgen-core pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.6.0 +pre-commit==4.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.52 +prompt-toolkit==3.0.53 # via ipython psutil==7.2.2 # via @@ -397,7 +394,7 @@ pure-eval==0.2.3 # via stack-data py-key-value-aio[filetree,keyring,memory]==0.4.5 # via fastmcp-slim -pyarrow==24.0.0 +pyarrow==25.0.1 # via # emmet-core # mp-api (pyproject.toml) @@ -421,7 +418,7 @@ pydantic[email]==2.13.4 # pymatgen-io-validation pydantic-core==2.46.4 # via pydantic -pydantic-settings==2.14.2 +pydantic-settings==2.15.0 # via # emmet-core # fastmcp-slim @@ -429,7 +426,7 @@ pydantic-settings==2.14.2 # pymatgen-io-validation pyflakes==3.4.0 # via flake8 -pygments==2.20.0 +pygments==2.21.0 # via # ipython # ipython-pygments-lexers @@ -450,16 +447,18 @@ pymatgen==2026.5.4 # pymatgen-analysis-alloys # pymatgen-analysis-defects # pymatgen-analysis-diffusion - # pymatgen-io-validation pymatgen-analysis-alloys==0.0.9 # via emmet-core pymatgen-analysis-defects==2026.3.20 # via emmet-core pymatgen-analysis-diffusion==2025.11.15 # via emmet-core -pymatgen-core==2026.5.18 - # via pymatgen -pymatgen-io-validation==0.1.2 +pymatgen-core==2026.7.16 + # via + # emmet-core + # pymatgen + # pymatgen-io-validation +pymatgen-io-validation==0.1.4 # via emmet-core pymongo==4.17.0 # via @@ -471,7 +470,7 @@ pyparsing==3.3.2 # matplotlib pyperclip==1.11.0 # via fastmcp-slim -pytest==9.1.0 +pytest==9.1.1 # via # mp-api (pyproject.toml) # pytest-asyncio @@ -494,9 +493,9 @@ python-dateutil==2.9.0.post0 # bravado-core # matplotlib # pandas -python-discovery==1.4.2 +python-discovery==1.5.2 # via virtualenv -python-dotenv==1.2.2 +python-dotenv==1.2.3 # via # fastmcp-slim # pydantic-settings @@ -504,7 +503,7 @@ python-multipart==0.0.32 # via # fastmcp-slim # mcp -pytz==2026.2 +pytz==2026.3.post1 # via bravado-core pyyaml==6.0.3 # via @@ -543,11 +542,11 @@ rich==15.0.0 # cyclopts # fastmcp-slim # rich-rst -rich-rst==2.0.1 +rich-rst==2.1.0 # via cyclopts roman-numerals==4.1.0 # via sphinx -rpds-py==2026.5.1 +rpds-py==2026.6.3 # via # jsonschema # referencing @@ -555,11 +554,11 @@ ruamel-yaml==0.19.1 # via # custodian # monty -s3transfer==0.18.0 +s3transfer==0.19.2 # via boto3 scikit-image==0.26.0 # via pymatgen-analysis-defects -scipy==1.17.1 +scipy==1.18.0 # via # ase # pymatgen-core @@ -605,11 +604,11 @@ sphinxcontrib-qthelp==2.0.0 # via sphinx sphinxcontrib-serializinghtml==2.0.0 # via sphinx -sse-starlette==3.4.4 +sse-starlette==3.4.8 # via mcp stack-data==0.6.3 # via ipython -starlette==1.3.1 +starlette==1.6.0 # via # fastmcp-slim # mcp @@ -618,32 +617,31 @@ swagger-spec-validator==3.0.4 # via # bravado-core # mp-api (pyproject.toml) -symfc==1.7.2 +symfc==1.7.3 # via phonopy sympy==1.14.0 # via pymatgen-core tabulate==0.10.0 # via pymatgen-core -tifffile==2026.6.1 +tifffile==2026.8.16 # via scikit-image -tqdm==4.68.2 +tqdm==4.70.0 # via pymatgen-core -traitlets==5.15.1 +traitlets==5.16.1 # via # ipython # matplotlib-inline -typeguard==4.5.2 +typeguard==4.6.0 # via inflect -types-requests==2.33.0.20260518 - # via - # mp-api (pyproject.toml) - # types-tqdm -types-setuptools==82.0.0.20260518 +types-requests==2.33.0.20260712 # via mp-api (pyproject.toml) -types-tqdm==4.68.0.20260608 +types-setuptools==84.0.0.20260812 # via mp-api (pyproject.toml) -typing-extensions==4.15.0 +types-tqdm==4.70.0.20260805 + # via mp-api (pyproject.toml) +typing-extensions==4.16.0 # via + # ase # bravado # emmet-core # fastmcp-slim @@ -660,14 +658,14 @@ typing-extensions==4.15.0 # swagger-spec-validator # typeguard # typing-inspection -typing-inspection==0.4.2 +typing-inspection==0.4.4 # via # mcp # pydantic # pydantic-settings -tzdata==2026.2 +tzdata==2026.3 # via arrow -uncalled-for==0.3.2 +uncalled-for==0.4.0 # via fastmcp-slim uncertainties==3.2.3 # via pymatgen-core @@ -678,21 +676,21 @@ urllib3==2.7.0 # botocore # requests # types-requests -uvicorn==0.49.0 +uvicorn==0.52.3 # via # fastmcp-slim # mcp -virtualenv==21.5.0 +virtualenv==21.7.4 # via pre-commit watchfiles==1.2.0 # via fastmcp-slim -wcwidth==0.8.1 +wcwidth==0.8.2 # via prompt-toolkit webcolors==25.10.0 # via jsonschema -websockets==16.0 +websockets==17.0.1 # via fastmcp-slim werkzeug==3.1.8 # via flask -wrapt==2.2.1 +wrapt==2.3.0 # via deprecated