diff --git a/requirements/ubuntu-latest_py3.11.txt b/requirements/ubuntu-latest_py3.11.txt index fdf67f47..0a15a678 100644 --- a/requirements/ubuntu-latest_py3.11.txt +++ b/requirements/ubuntu-latest_py3.11.txt @@ -6,61 +6,73 @@ # annotated-types==0.7.0 # via pydantic +asttokens==3.0.1 + # via stack-data bibtexparser==1.4.3 # via pymatgen blake3==1.0.8 # via emmet-core blinker==1.9.0 # via flask -boto3==1.40.66 +boto3==1.42.33 # via mp-api -botocore==1.40.66 +botocore==1.42.33 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -certifi==2025.10.5 +certifi==2026.1.4 # via requests charset-normalizer==3.4.4 # via requests -click==8.3.0 +click==8.3.1 # via flask contourpy==1.3.3 # via matplotlib cycler==0.12.1 # via matplotlib -dash==3.2.0 +dash==3.4.0 # via crystal_toolkit (pyproject.toml) dash-mp-components==0.5.0rc0 # via crystal_toolkit (pyproject.toml) -emmet-core==0.86.0rc1 +decorator==5.2.1 + # via ipython +emmet-core==0.86.2 # via mp-api +executing==2.2.1 + # via stack-data flask==3.1.2 # via # dash # flask-caching flask-caching==2.3.1 # via crystal_toolkit (pyproject.toml) -fonttools==4.60.1 +fonttools==4.61.1 # via matplotlib -frozendict==2.4.6 +frozendict==2.4.7 # via crystal_toolkit (pyproject.toml) idna==3.11 # via requests imageio==2.37.2 # via scikit-image -importlib-metadata==8.7.0 +importlib-metadata==8.7.1 # via dash +ipython==9.9.0 + # via crystal_toolkit (pyproject.toml) +ipython-pygments-lexers==1.1.1 + # via ipython itsdangerous==2.2.0 # via flask +jedi==0.19.2 + # via ipython jinja2==3.1.6 # via flask -jmespath==1.0.1 +jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.2 +joblib==1.5.3 # via # pymatgen # scikit-learn @@ -75,28 +87,30 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.10.7 +matplotlib==3.10.8 # via pymatgen +matplotlib-inline==0.2.1 + # via ipython monty==2025.3.3 # via # emmet-core # mp-api # pymatgen -mp-api==0.45.12 +mp-api==0.45.15 # via crystal_toolkit (pyproject.toml) mpmath==1.3.0 # via sympy msgpack==1.1.2 # via mp-api -narwhals==2.10.2 +narwhals==2.15.0 # via plotly nest-asyncio==1.6.0 # via dash -networkx==3.5 +networkx==3.6.1 # via # pymatgen # scikit-image -numpy==2.3.4 +numpy==2.4.1 # via # contourpy # imageio @@ -111,9 +125,11 @@ numpy==2.3.4 # shapely # spglib # tifffile -orjson==3.11.4 - # via pymatgen -packaging==25.0 +orjson==3.11.5 + # via + # mp-api + # pymatgen +packaging==26.0 # via # lazy-loader # matplotlib @@ -121,31 +137,45 @@ packaging==25.0 # scikit-image palettable==3.3.3 # via pymatgen -pandas==2.3.3 +pandas==3.0.0 # via pymatgen -pillow==12.0.0 +parso==0.8.5 + # via jedi +pexpect==4.9.0 + # via ipython +pillow==12.1.0 # via # imageio # matplotlib # scikit-image -plotly==6.4.0 +plotly==6.5.2 # via # dash # pymatgen +prompt-toolkit==3.0.52 + # via ipython +ptyprocess==0.7.0 + # via pexpect +pure-eval==0.2.3 + # via stack-data pybtex==0.25.1 # via emmet-core -pydantic==2.12.3 +pydantic==2.12.5 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.4 +pydantic-core==2.41.5 # via pydantic -pydantic-settings==2.11.0 +pydantic-settings==2.12.0 # via # crystal_toolkit (pyproject.toml) # emmet-core # pymatgen-io-validation +pygments==2.19.2 + # via + # ipython + # ipython-pygments-lexers pymatgen==2025.10.7 # via # crystal_toolkit (pyproject.toml) @@ -154,7 +184,7 @@ pymatgen==2025.10.7 # pymatgen-io-validation pymatgen-io-validation==0.1.2 # via emmet-core -pyparsing==3.2.5 +pyparsing==3.3.2 # via # bibtexparser # matplotlib @@ -165,8 +195,6 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.2.1 # via pydantic-settings -pytz==2025.2 - # via pandas pyyaml==6.0.3 # via pybtex requests==2.32.5 @@ -177,19 +205,17 @@ requests==2.32.5 # pymatgen-io-validation retrying==1.4.2 # via dash -ruamel-yaml==0.18.16 +ruamel-yaml==0.19.1 # via # monty # pymatgen -ruamel-yaml-clib==0.2.14 - # via ruamel-yaml -s3transfer==0.14.0 +s3transfer==0.16.0 # via boto3 -scikit-image==0.25.2 +scikit-image==0.26.0 # via crystal_toolkit (pyproject.toml) -scikit-learn==1.7.2 +scikit-learn==1.8.0 # via crystal_toolkit (pyproject.toml) -scipy==1.16.3 +scipy==1.17.0 # via # pymatgen # scikit-image @@ -198,25 +224,32 @@ shapely==2.1.2 # via crystal_toolkit (pyproject.toml) six==1.17.0 # via python-dateutil -smart-open==7.4.4 +smart-open==7.5.0 # via mp-api -spglib==2.6.0 +spglib==2.7.0 # via pymatgen +stack-data==0.6.3 + # via ipython sympy==1.14.0 # via pymatgen tabulate==0.9.0 # via pymatgen threadpoolctl==3.6.0 # via scikit-learn -tifffile==2025.10.16 +tifffile==2026.1.14 # via scikit-image tqdm==4.67.1 # via pymatgen +traitlets==5.14.3 + # via + # ipython + # matplotlib-inline typing-extensions==4.15.0 # via # blake3 # dash # emmet-core + # ipython # mp-api # pydantic # pydantic-core @@ -226,21 +259,21 @@ typing-inspection==0.4.2 # via # pydantic # pydantic-settings -tzdata==2025.2 - # via pandas uncertainties==3.2.3 # via pymatgen -urllib3==2.5.0 +urllib3==2.6.3 # via # botocore # requests +wcwidth==0.3.0 + # via prompt-toolkit webcolors==25.10.0 # via crystal_toolkit (pyproject.toml) -werkzeug==3.1.3 +werkzeug==3.1.5 # via # dash # flask -wrapt==2.0.0 +wrapt==2.0.1 # via smart-open zipp==3.23.0 # via importlib-metadata diff --git a/requirements/ubuntu-latest_py3.11_extras.txt b/requirements/ubuntu-latest_py3.11_extras.txt index aae6db26..301402c6 100644 --- a/requirements/ubuntu-latest_py3.11_extras.txt +++ b/requirements/ubuntu-latest_py3.11_extras.txt @@ -8,17 +8,17 @@ aiofiles==22.1.0 # via ypy-websocket aiohappyeyeballs==2.6.1 # via aiohttp -aiohttp==3.13.2 +aiohttp==3.13.3 # via dephell aiosignal==1.4.0 # via aiohttp -aiosqlite==0.21.0 +aiosqlite==0.22.1 # via ypy-websocket alabaster==1.0.0 # via sphinx annotated-types==0.7.0 # via pydantic -anyio==4.11.0 +anyio==4.12.1 # via jupyter-server argon2-cffi==25.1.0 # via @@ -28,12 +28,12 @@ argon2-cffi-bindings==25.1.0 # via argon2-cffi arrow==1.4.0 # via isoduration -ase==3.26.0 +ase==3.27.0 # via # boltztrap2 # dscribe # hiphive -asttokens==3.0.0 +asttokens==3.0.1 # via stack-data attrs==25.4.0 # via @@ -53,14 +53,14 @@ babel==2.17.0 # via # jupyterlab-server # sphinx -beautifulsoup4==4.14.2 +beautifulsoup4==4.14.3 # via # dash # gdown # nbconvert bibtexparser==1.4.3 # via pymatgen -black==25.9.0 +black==26.1.0 # via crystal_toolkit (pyproject.toml) blake3==1.0.8 # via emmet-core @@ -68,19 +68,19 @@ bleach[css]==6.3.0 # via nbconvert blinker==1.9.0 # via flask -boltztrap2==25.3.1 +boltztrap2==25.11.1 # via ifermi -boto3==1.40.66 +boto3==1.42.33 # via mp-api -botocore==1.40.66 +botocore==1.42.33 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -cerberus==1.3.7 +cerberus==1.3.8 # via dephell -certifi==2025.10.5 +certifi==2026.1.4 # via # dephell # netcdf4 @@ -89,15 +89,15 @@ cffi==2.0.0 # via # argon2-cffi-bindings # cryptography -cfgv==3.4.0 +cfgv==3.5.0 # via pre-commit cftime==1.6.5 # via netcdf4 charset-normalizer==3.4.4 # via requests -choreographer==1.2.0 +choreographer==1.2.1 # via kaleido -click==8.3.0 +click==8.3.1 # via # black # dask @@ -116,7 +116,7 @@ commonmark==0.9.1 # via recommonmark contourpy==1.3.3 # via matplotlib -coverage[toml]==7.11.0 +coverage[toml]==7.13.1 # via pytest-cov cryptography==46.0.3 # via dash @@ -124,9 +124,9 @@ crystaltoolkit-extension==0.6.0 # via crystal_toolkit (pyproject.toml) cycler==0.12.1 # via matplotlib -cython==3.1.6 +cython==3.2.4 # via boltztrap2 -dash[testing]==3.2.0 +dash[testing]==3.4.0 # via # crystal_toolkit (pyproject.toml) # dash-extensions @@ -139,13 +139,13 @@ dash-testing-stub==0.0.2 # via dash dash-vtk==0.0.9 # via crystal_toolkit (pyproject.toml) -dask==2025.10.0 +dask==2026.1.1 # via # distributed # py4dstem -dataclass-wizard==0.35.1 +dataclass-wizard==0.39.1 # via dash-extensions -debugpy==1.8.17 +debugpy==1.8.19 # via ipykernel decorator==5.2.1 # via ipython @@ -184,17 +184,17 @@ dephell-venvs==0.1.18 # via dephell dephell-versioning==0.1.2 # via dephell -dill==0.4.0 +dill==0.4.1 # via # multiprocess # py4dstem distlib==0.4.0 # via virtualenv -distributed==2025.10.0 +distributed==2026.1.1 # via py4dstem dnspython==2.8.0 # via pymongo -docutils==0.21.2 +docutils==0.22.4 # via # m2r # recommonmark @@ -206,7 +206,7 @@ editorconfig==0.17.1 # via jsbeautifier emdfile==0.0.16 # via py4dstem -emmet-core==0.86.0rc1 +emmet-core==0.86.2 # via mp-api entrypoints==0.4 # via jupyter-client @@ -214,7 +214,7 @@ executing==2.2.1 # via stack-data fastjsonschema==2.21.2 # via nbformat -filelock==3.20.0 +filelock==3.20.3 # via # gdown # virtualenv @@ -226,23 +226,23 @@ flask-caching==2.3.1 # via # crystal_toolkit (pyproject.toml) # dash-extensions -fonttools==4.60.1 +fonttools==4.61.1 # via matplotlib fqdn==1.5.1 # via jsonschema -frozendict==2.4.6 +frozendict==2.4.7 # via crystal_toolkit (pyproject.toml) frozenlist==1.8.0 # via # aiohttp # aiosignal -fsspec==2025.10.0 +fsspec==2026.1.0 # via dask -gdown==5.2.0 +gdown==5.2.1 # via py4dstem gevent==25.9.1 # via gunicorn -greenlet==3.2.4 +greenlet==3.3.0 # via # gevent # playwright @@ -262,7 +262,7 @@ hdf5plugin==6.0.0 # via py4dstem hiphive==1.5 # via crystal_toolkit (pyproject.toml) -identify==2.6.15 +identify==2.6.16 # via pre-commit idna==3.11 # via @@ -276,7 +276,7 @@ imageio==2.37.2 # via scikit-image imagesize==1.4.1 # via sphinx -importlib-metadata==8.7.0 +importlib-metadata==8.7.1 # via # dash # dask @@ -288,8 +288,9 @@ ipykernel==6.29.5 # via # nbclassic # notebook -ipython==9.6.0 +ipython==9.9.0 # via + # crystal_toolkit (pyproject.toml) # ipykernel # jupyterlab ipython-genutils==0.2.0 @@ -316,11 +317,11 @@ jinja2==3.1.6 # nbconvert # notebook # sphinx -jmespath==1.0.1 +jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.2 +joblib==1.5.3 # via # dscribe # pymatgen @@ -328,11 +329,11 @@ joblib==1.5.2 # scikit-optimize jsbeautifier==1.15.4 # via dash-extensions -json5==0.12.1 +json5==0.13.0 # via jupyterlab-server jsonpointer==3.0.0 # via jsonschema -jsonschema[format-nongpl]==4.25.1 +jsonschema[format-nongpl]==4.26.0 # via # jupyter-events # jupyterlab-server @@ -367,7 +368,7 @@ jupyter-server==2.17.0 # notebook-shim jupyter-server-fileid==0.9.3 # via jupyter-server-ydoc -jupyter-server-terminals==0.5.3 +jupyter-server-terminals==0.5.4 # via jupyter-server jupyter-server-ydoc==0.8.0 # via jupyterlab @@ -391,7 +392,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.4 # via scikit-image -llvmlite==0.45.1 +llvmlite==0.46.0 # via numba locket==1.0.0 # via @@ -411,9 +412,9 @@ markupsafe==3.0.3 # jinja2 # nbconvert # werkzeug -matminer==0.9.3 +matminer==0.10.0 # via robocrys -matplotlib==3.10.7 +matplotlib==3.10.8 # via # ase # boltztrap2 @@ -429,7 +430,7 @@ matplotlib-inline==0.2.1 # ipython meshcut==0.3.0 # via ifermi -mistune==3.1.4 +mistune==3.2.0 # via # m2r # nbconvert @@ -445,7 +446,7 @@ more-itertools==10.8.0 # via # dash-extensions # inflect -mp-api==0.45.12 +mp-api==0.45.15 # via crystal_toolkit (pyproject.toml) mpire==2.10.2 # via py4dstem @@ -459,17 +460,17 @@ multidict==6.7.0 # via # aiohttp # yarl -multiprocess==0.70.18 +multiprocess==0.70.19 # via dash mypy-extensions==1.1.0 # via black -narwhals==2.10.2 +narwhals==2.15.0 # via plotly nbclassic==1.3.3 # via # jupyterlab # notebook -nbclient==0.10.2 +nbclient==0.10.4 # via nbconvert nbconvert==7.16.6 # via @@ -490,21 +491,21 @@ nest-asyncio==1.6.0 # jupyter-client # nbclassic # notebook -netcdf4==1.7.3 +netcdf4==1.7.4 # via boltztrap2 -networkx==3.5 +networkx==3.6.1 # via # ifermi # pymatgen # robocrys # scikit-image -nodeenv==1.9.1 +nodeenv==1.10.0 # via pre-commit notebook==6.5.7 # via jupyterlab notebook-shim==0.2.4 # via nbclassic -numba==0.62.1 +numba==0.63.1 # via # hiphive # sparse @@ -550,13 +551,14 @@ numpy==1.26.4 # trimesh numpy-stl==3.2.0 # via meshcut -orjson==3.11.4 +orjson==3.11.5 # via # kaleido + # mp-api # pymatgen overrides==7.7.0 # via jupyter-server -packaging==25.0 +packaging==26.0 # via # black # dask @@ -594,7 +596,7 @@ parso==0.8.5 # via jedi partd==1.4.2 # via dask -pathspec==0.12.1 +pathspec==1.0.3 # via black percy==2.0.2 # via dash @@ -602,23 +604,23 @@ pexpect==4.9.0 # via # dephell-shells # ipython -phonopy==2.43.6 +phonopy==2.47.1 # via crystal_toolkit (pyproject.toml) -pillow==12.0.0 +pillow==12.1.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.5.0 +platformdirs==4.5.1 # via # black # jupyter-core # virtualenv -playwright==1.55.0 +playwright==1.57.0 # via # crystal_toolkit (pyproject.toml) # pytest-playwright -plotly==6.4.0 +plotly==6.5.2 # via # dash # ifermi @@ -627,9 +629,9 @@ pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.3.0 +pre-commit==4.5.1 # via crystal_toolkit (pyproject.toml) -prometheus-client==0.23.1 +prometheus-client==0.24.1 # via # jupyter-server # notebook @@ -639,7 +641,7 @@ propcache==0.4.1 # via # aiohttp # yarl -psutil==7.1.3 +psutil==7.2.1 # via # dash # distributed @@ -661,17 +663,17 @@ pybtex==0.25.1 # via # emmet-core # robocrys -pycparser==2.23 +pycparser==3.0 # via cffi -pydantic==2.12.3 +pydantic==2.12.5 # via # dash-extensions # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.4 +pydantic-core==2.41.5 # via pydantic -pydantic-settings==2.11.0 +pydantic-settings==2.12.0 # via # crystal_toolkit (pyproject.toml) # emmet-core @@ -690,7 +692,7 @@ pygments==2.19.2 # nbconvert # pytest # sphinx -pylops==2.5.0 +pylops==2.6.0 # via py4dstem pymatgen==2025.10.7 # via @@ -703,15 +705,15 @@ pymatgen==2025.10.7 # robocrys pymatgen-io-validation==0.1.2 # via emmet-core -pymongo==4.15.3 +pymongo==4.16.0 # via matminer -pyparsing==3.2.5 +pyparsing==3.3.2 # via # bibtexparser # matplotlib pysocks==1.7.1 # via requests -pytest==8.4.2 +pytest==9.0.2 # via # crystal_toolkit (pyproject.toml) # dash @@ -723,7 +725,7 @@ pytest-base-url==2.1.0 # via pytest-playwright pytest-cov==7.0.0 # via crystal_toolkit (pyproject.toml) -pytest-playwright==0.7.1 +pytest-playwright==0.7.2 # via crystal_toolkit (pyproject.toml) pytest-timeout==2.4.0 # via kaleido @@ -742,7 +744,7 @@ python-slugify==8.0.4 # via pytest-playwright python-utils==3.9.1 # via numpy-stl -pytokens==0.2.0 +pytokens==0.4.0 # via black pytz==2025.2 # via pandas @@ -764,7 +766,7 @@ pyzmq==27.1.0 # notebook recommonmark==0.7.1 # via crystal_toolkit (pyproject.toml) -redis==7.0.1 +redis==7.1.0 # via crystal_toolkit (pyproject.toml) referencing==0.37.0 # via @@ -800,25 +802,22 @@ rfc3986-validator==0.1.1 # jupyter-events rfc3987-syntax==1.1.0 # via jsonschema -robocrys==0.2.11 +robocrys==0.2.13 # via crystal_toolkit (pyproject.toml) -roman-numerals-py==3.1.0 +roman-numerals==4.1.0 # via sphinx -rpds-py==0.28.0 +rpds-py==0.30.0 # via # jsonschema # referencing -ruamel-yaml==0.18.16 +ruamel-yaml==0.19.1 # via # dephell # monty # pymatgen - # robocrys -ruamel-yaml-clib==0.2.14 - # via ruamel-yaml -s3transfer==0.14.0 +s3transfer==0.16.0 # via boto3 -scikit-image==0.25.2 +scikit-image==0.26.0 # via # crystal_toolkit (pyproject.toml) # ifermi @@ -833,13 +832,14 @@ scikit-learn==1.4.2 # trainstation scikit-optimize==0.10.2 # via py4dstem -scipy==1.16.3 +scipy==1.17.0 # via # ase # boltztrap2 # dscribe # hiphive # ifermi + # matminer # meshcut # ncempy # py4dstem @@ -855,7 +855,7 @@ selenium==3.141.0 # via # crystal_toolkit (pyproject.toml) # dash -send2trash==1.8.3 +send2trash==2.1.0 # via # jupyter-server # notebook @@ -870,19 +870,17 @@ six==1.17.0 # jsbeautifier # python-dateutil # rfc3339-validator -smart-open==7.4.4 +smart-open==7.5.0 # via mp-api -sniffio==1.3.1 - # via anyio snowballstemmer==3.0.1 # via sphinx sortedcontainers==2.4.0 # via distributed -soupsieve==2.8 +soupsieve==2.8.3 # via beautifulsoup4 sparse==0.17.0 # via dscribe -spglib==2.6.0 +spglib==2.7.0 # via # boltztrap2 # hiphive @@ -891,12 +889,12 @@ spglib==2.6.0 # pymatgen # robocrys # symfc -sphinx==8.2.3 +sphinx==9.0.4 # via # recommonmark # sphinx-rtd-theme # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 +sphinx-rtd-theme==3.1.0 # via crystal_toolkit (pyproject.toml) sphinxcontrib-applehelp==2.0.0 # via sphinx @@ -914,7 +912,7 @@ sphinxcontrib-serializinghtml==2.0.0 # via sphinx stack-data==0.6.3 # via ipython -symfc==1.5.4 +symfc==1.6.0 # via phonopy sympy==1.14.0 # via @@ -925,9 +923,9 @@ tabulate==0.9.0 # via # ifermi # pymatgen -tblib==3.2.1 +tblib==3.2.2 # via distributed -termcolor==3.2.0 +termcolor==3.3.0 # via yaspin terminado==0.18.1 # via @@ -940,18 +938,18 @@ threadpoolctl==3.6.0 # via # py4dstem # scikit-learn -tifffile==2025.10.16 +tifffile==2026.1.14 # via scikit-image tinycss2==1.4.0 # via bleach -tomlkit==0.13.3 +tomlkit==0.14.0 # via dephell toolz==1.1.0 # via # dask # distributed # partd -tornado==6.5.2 +tornado==6.5.4 # via # distributed # ipykernel @@ -984,14 +982,13 @@ traitlets==5.14.3 # nbconvert # nbformat # notebook -trimesh==4.9.0 +trimesh==4.11.1 # via ifermi typeguard==4.4.4 # via inflect typing-extensions==4.15.0 # via # aiosignal - # aiosqlite # anyio # beautifulsoup4 # blake3 @@ -1012,7 +1009,7 @@ typing-inspection==0.4.2 # via # pydantic # pydantic-settings -tzdata==2025.2 +tzdata==2025.3 # via # arrow # pandas @@ -1027,13 +1024,13 @@ urllib3==1.26.20 # distributed # requests # selenium -virtualenv==20.35.4 +virtualenv==20.36.1 # via pre-commit vtk==9.5.2 # via dash-vtk waitress==3.0.2 # via dash -wcwidth==0.2.14 +wcwidth==0.3.0 # via prompt-toolkit webcolors==25.10.0 # via @@ -1045,11 +1042,11 @@ webencodings==0.5.1 # tinycss2 websocket-client==1.9.0 # via jupyter-server -werkzeug==3.1.3 +werkzeug==3.1.5 # via # dash # flask -wrapt==2.0.0 +wrapt==2.0.1 # via smart-open y-py==0.6.2 # via @@ -1057,7 +1054,7 @@ y-py==0.6.2 # ypy-websocket yarl==1.22.0 # via aiohttp -yaspin==3.3.0 +yaspin==3.4.0 # via dephell ypy-websocket==0.8.4 # via jupyter-server-ydoc @@ -1065,9 +1062,9 @@ zict==3.0.0 # via distributed zipp==3.23.0 # via importlib-metadata -zope-event==6.0 +zope-event==6.1 # via gevent -zope-interface==8.0.1 +zope-interface==8.2 # via gevent # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/ubuntu-latest_py3.12.txt b/requirements/ubuntu-latest_py3.12.txt index 33230bd3..e33e504b 100644 --- a/requirements/ubuntu-latest_py3.12.txt +++ b/requirements/ubuntu-latest_py3.12.txt @@ -6,61 +6,73 @@ # annotated-types==0.7.0 # via pydantic +asttokens==3.0.1 + # via stack-data bibtexparser==1.4.3 # via pymatgen blake3==1.0.8 # via emmet-core blinker==1.9.0 # via flask -boto3==1.40.66 +boto3==1.42.33 # via mp-api -botocore==1.40.66 +botocore==1.42.33 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -certifi==2025.10.5 +certifi==2026.1.4 # via requests charset-normalizer==3.4.4 # via requests -click==8.3.0 +click==8.3.1 # via flask contourpy==1.3.3 # via matplotlib cycler==0.12.1 # via matplotlib -dash==3.2.0 +dash==3.4.0 # via crystal_toolkit (pyproject.toml) dash-mp-components==0.5.0rc0 # via crystal_toolkit (pyproject.toml) -emmet-core==0.86.0rc1 +decorator==5.2.1 + # via ipython +emmet-core==0.86.2 # via mp-api +executing==2.2.1 + # via stack-data flask==3.1.2 # via # dash # flask-caching flask-caching==2.3.1 # via crystal_toolkit (pyproject.toml) -fonttools==4.60.1 +fonttools==4.61.1 # via matplotlib -frozendict==2.4.6 +frozendict==2.4.7 # via crystal_toolkit (pyproject.toml) idna==3.11 # via requests imageio==2.37.2 # via scikit-image -importlib-metadata==8.7.0 +importlib-metadata==8.7.1 # via dash +ipython==9.9.0 + # via crystal_toolkit (pyproject.toml) +ipython-pygments-lexers==1.1.1 + # via ipython itsdangerous==2.2.0 # via flask +jedi==0.19.2 + # via ipython jinja2==3.1.6 # via flask -jmespath==1.0.1 +jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.2 +joblib==1.5.3 # via # pymatgen # scikit-learn @@ -75,28 +87,30 @@ markupsafe==3.0.3 # flask # jinja2 # werkzeug -matplotlib==3.10.7 +matplotlib==3.10.8 # via pymatgen +matplotlib-inline==0.2.1 + # via ipython monty==2025.3.3 # via # emmet-core # mp-api # pymatgen -mp-api==0.45.12 +mp-api==0.45.15 # via crystal_toolkit (pyproject.toml) mpmath==1.3.0 # via sympy msgpack==1.1.2 # via mp-api -narwhals==2.10.2 +narwhals==2.15.0 # via plotly nest-asyncio==1.6.0 # via dash -networkx==3.5 +networkx==3.6.1 # via # pymatgen # scikit-image -numpy==2.3.4 +numpy==2.4.1 # via # contourpy # imageio @@ -111,9 +125,11 @@ numpy==2.3.4 # shapely # spglib # tifffile -orjson==3.11.4 - # via pymatgen -packaging==25.0 +orjson==3.11.5 + # via + # mp-api + # pymatgen +packaging==26.0 # via # lazy-loader # matplotlib @@ -121,31 +137,45 @@ packaging==25.0 # scikit-image palettable==3.3.3 # via pymatgen -pandas==2.3.3 +pandas==3.0.0 # via pymatgen -pillow==12.0.0 +parso==0.8.5 + # via jedi +pexpect==4.9.0 + # via ipython +pillow==12.1.0 # via # imageio # matplotlib # scikit-image -plotly==6.4.0 +plotly==6.5.2 # via # dash # pymatgen +prompt-toolkit==3.0.52 + # via ipython +ptyprocess==0.7.0 + # via pexpect +pure-eval==0.2.3 + # via stack-data pybtex==0.25.1 # via emmet-core -pydantic==2.12.3 +pydantic==2.12.5 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.4 +pydantic-core==2.41.5 # via pydantic -pydantic-settings==2.11.0 +pydantic-settings==2.12.0 # via # crystal_toolkit (pyproject.toml) # emmet-core # pymatgen-io-validation +pygments==2.19.2 + # via + # ipython + # ipython-pygments-lexers pymatgen==2025.10.7 # via # crystal_toolkit (pyproject.toml) @@ -154,7 +184,7 @@ pymatgen==2025.10.7 # pymatgen-io-validation pymatgen-io-validation==0.1.2 # via emmet-core -pyparsing==3.2.5 +pyparsing==3.3.2 # via # bibtexparser # matplotlib @@ -165,8 +195,6 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.2.1 # via pydantic-settings -pytz==2025.2 - # via pandas pyyaml==6.0.3 # via pybtex requests==2.32.5 @@ -177,19 +205,17 @@ requests==2.32.5 # pymatgen-io-validation retrying==1.4.2 # via dash -ruamel-yaml==0.18.16 +ruamel-yaml==0.19.1 # via # monty # pymatgen -ruamel-yaml-clib==0.2.14 - # via ruamel-yaml -s3transfer==0.14.0 +s3transfer==0.16.0 # via boto3 -scikit-image==0.25.2 +scikit-image==0.26.0 # via crystal_toolkit (pyproject.toml) -scikit-learn==1.7.2 +scikit-learn==1.8.0 # via crystal_toolkit (pyproject.toml) -scipy==1.16.3 +scipy==1.17.0 # via # pymatgen # scikit-image @@ -198,20 +224,26 @@ shapely==2.1.2 # via crystal_toolkit (pyproject.toml) six==1.17.0 # via python-dateutil -smart-open==7.4.4 +smart-open==7.5.0 # via mp-api -spglib==2.6.0 +spglib==2.7.0 # via pymatgen +stack-data==0.6.3 + # via ipython sympy==1.14.0 # via pymatgen tabulate==0.9.0 # via pymatgen threadpoolctl==3.6.0 # via scikit-learn -tifffile==2025.10.16 +tifffile==2026.1.14 # via scikit-image tqdm==4.67.1 # via pymatgen +traitlets==5.14.3 + # via + # ipython + # matplotlib-inline typing-extensions==4.15.0 # via # dash @@ -225,21 +257,21 @@ typing-inspection==0.4.2 # via # pydantic # pydantic-settings -tzdata==2025.2 - # via pandas uncertainties==3.2.3 # via pymatgen -urllib3==2.5.0 +urllib3==2.6.3 # via # botocore # requests +wcwidth==0.3.0 + # via prompt-toolkit webcolors==25.10.0 # via crystal_toolkit (pyproject.toml) -werkzeug==3.1.3 +werkzeug==3.1.5 # via # dash # flask -wrapt==2.0.0 +wrapt==2.0.1 # via smart-open zipp==3.23.0 # via importlib-metadata diff --git a/requirements/ubuntu-latest_py3.12_extras.txt b/requirements/ubuntu-latest_py3.12_extras.txt index 0aa3062f..9915215f 100644 --- a/requirements/ubuntu-latest_py3.12_extras.txt +++ b/requirements/ubuntu-latest_py3.12_extras.txt @@ -8,17 +8,17 @@ aiofiles==22.1.0 # via ypy-websocket aiohappyeyeballs==2.6.1 # via aiohttp -aiohttp==3.13.2 +aiohttp==3.13.3 # via dephell aiosignal==1.4.0 # via aiohttp -aiosqlite==0.21.0 +aiosqlite==0.22.1 # via ypy-websocket alabaster==1.0.0 # via sphinx annotated-types==0.7.0 # via pydantic -anyio==4.11.0 +anyio==4.12.1 # via jupyter-server argon2-cffi==25.1.0 # via @@ -28,12 +28,12 @@ argon2-cffi-bindings==25.1.0 # via argon2-cffi arrow==1.4.0 # via isoduration -ase==3.26.0 +ase==3.27.0 # via # boltztrap2 # dscribe # hiphive -asttokens==3.0.0 +asttokens==3.0.1 # via stack-data attrs==25.4.0 # via @@ -53,14 +53,14 @@ babel==2.17.0 # via # jupyterlab-server # sphinx -beautifulsoup4==4.14.2 +beautifulsoup4==4.14.3 # via # dash # gdown # nbconvert bibtexparser==1.4.3 # via pymatgen -black==25.9.0 +black==26.1.0 # via crystal_toolkit (pyproject.toml) blake3==1.0.8 # via emmet-core @@ -68,19 +68,19 @@ bleach[css]==6.3.0 # via nbconvert blinker==1.9.0 # via flask -boltztrap2==25.3.1 +boltztrap2==25.11.1 # via ifermi -boto3==1.40.66 +boto3==1.42.33 # via mp-api -botocore==1.40.66 +botocore==1.42.33 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -cerberus==1.3.7 +cerberus==1.3.8 # via dephell -certifi==2025.10.5 +certifi==2026.1.4 # via # dephell # netcdf4 @@ -89,15 +89,15 @@ cffi==2.0.0 # via # argon2-cffi-bindings # cryptography -cfgv==3.4.0 +cfgv==3.5.0 # via pre-commit cftime==1.6.5 # via netcdf4 charset-normalizer==3.4.4 # via requests -choreographer==1.2.0 +choreographer==1.2.1 # via kaleido -click==8.3.0 +click==8.3.1 # via # black # dask @@ -116,7 +116,7 @@ commonmark==0.9.1 # via recommonmark contourpy==1.3.3 # via matplotlib -coverage[toml]==7.11.0 +coverage[toml]==7.13.1 # via pytest-cov cryptography==46.0.3 # via dash @@ -124,9 +124,9 @@ crystaltoolkit-extension==0.6.0 # via crystal_toolkit (pyproject.toml) cycler==0.12.1 # via matplotlib -cython==3.1.6 +cython==3.2.4 # via boltztrap2 -dash[testing]==3.2.0 +dash[testing]==3.4.0 # via # crystal_toolkit (pyproject.toml) # dash-extensions @@ -139,13 +139,13 @@ dash-testing-stub==0.0.2 # via dash dash-vtk==0.0.9 # via crystal_toolkit (pyproject.toml) -dask==2025.10.0 +dask==2026.1.1 # via # distributed # py4dstem -dataclass-wizard==0.35.1 +dataclass-wizard==0.39.1 # via dash-extensions -debugpy==1.8.17 +debugpy==1.8.19 # via ipykernel decorator==5.2.1 # via ipython @@ -184,17 +184,17 @@ dephell-venvs==0.1.18 # via dephell dephell-versioning==0.1.2 # via dephell -dill==0.4.0 +dill==0.4.1 # via # multiprocess # py4dstem distlib==0.4.0 # via virtualenv -distributed==2025.10.0 +distributed==2026.1.1 # via py4dstem dnspython==2.8.0 # via pymongo -docutils==0.21.2 +docutils==0.22.4 # via # m2r # recommonmark @@ -206,7 +206,7 @@ editorconfig==0.17.1 # via jsbeautifier emdfile==0.0.16 # via py4dstem -emmet-core==0.86.0rc1 +emmet-core==0.86.2 # via mp-api entrypoints==0.4 # via jupyter-client @@ -214,7 +214,7 @@ executing==2.2.1 # via stack-data fastjsonschema==2.21.2 # via nbformat -filelock==3.20.0 +filelock==3.20.3 # via # gdown # virtualenv @@ -226,23 +226,23 @@ flask-caching==2.3.1 # via # crystal_toolkit (pyproject.toml) # dash-extensions -fonttools==4.60.1 +fonttools==4.61.1 # via matplotlib fqdn==1.5.1 # via jsonschema -frozendict==2.4.6 +frozendict==2.4.7 # via crystal_toolkit (pyproject.toml) frozenlist==1.8.0 # via # aiohttp # aiosignal -fsspec==2025.10.0 +fsspec==2026.1.0 # via dask -gdown==5.2.0 +gdown==5.2.1 # via py4dstem gevent==25.9.1 # via gunicorn -greenlet==3.2.4 +greenlet==3.3.0 # via # gevent # playwright @@ -262,7 +262,7 @@ hdf5plugin==6.0.0 # via py4dstem hiphive==1.5 # via crystal_toolkit (pyproject.toml) -identify==2.6.15 +identify==2.6.16 # via pre-commit idna==3.11 # via @@ -276,7 +276,7 @@ imageio==2.37.2 # via scikit-image imagesize==1.4.1 # via sphinx -importlib-metadata==8.7.0 +importlib-metadata==8.7.1 # via dash inflect==7.5.0 # via robocrys @@ -286,8 +286,9 @@ ipykernel==6.29.5 # via # nbclassic # notebook -ipython==9.6.0 +ipython==9.9.0 # via + # crystal_toolkit (pyproject.toml) # ipykernel # jupyterlab ipython-genutils==0.2.0 @@ -314,11 +315,11 @@ jinja2==3.1.6 # nbconvert # notebook # sphinx -jmespath==1.0.1 +jmespath==1.1.0 # via # boto3 # botocore -joblib==1.5.2 +joblib==1.5.3 # via # dscribe # pymatgen @@ -326,11 +327,11 @@ joblib==1.5.2 # scikit-optimize jsbeautifier==1.15.4 # via dash-extensions -json5==0.12.1 +json5==0.13.0 # via jupyterlab-server jsonpointer==3.0.0 # via jsonschema -jsonschema[format-nongpl]==4.25.1 +jsonschema[format-nongpl]==4.26.0 # via # jupyter-events # jupyterlab-server @@ -365,7 +366,7 @@ jupyter-server==2.17.0 # notebook-shim jupyter-server-fileid==0.9.3 # via jupyter-server-ydoc -jupyter-server-terminals==0.5.3 +jupyter-server-terminals==0.5.4 # via jupyter-server jupyter-server-ydoc==0.8.0 # via jupyterlab @@ -389,7 +390,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.4 # via scikit-image -llvmlite==0.45.1 +llvmlite==0.46.0 # via numba locket==1.0.0 # via @@ -409,9 +410,9 @@ markupsafe==3.0.3 # jinja2 # nbconvert # werkzeug -matminer==0.9.3 +matminer==0.10.0 # via robocrys -matplotlib==3.10.7 +matplotlib==3.10.8 # via # ase # boltztrap2 @@ -427,7 +428,7 @@ matplotlib-inline==0.2.1 # ipython meshcut==0.3.0 # via ifermi -mistune==3.1.4 +mistune==3.2.0 # via # m2r # nbconvert @@ -443,7 +444,7 @@ more-itertools==10.8.0 # via # dash-extensions # inflect -mp-api==0.45.12 +mp-api==0.45.15 # via crystal_toolkit (pyproject.toml) mpire==2.10.2 # via py4dstem @@ -457,17 +458,17 @@ multidict==6.7.0 # via # aiohttp # yarl -multiprocess==0.70.18 +multiprocess==0.70.19 # via dash mypy-extensions==1.1.0 # via black -narwhals==2.10.2 +narwhals==2.15.0 # via plotly nbclassic==1.3.3 # via # jupyterlab # notebook -nbclient==0.10.2 +nbclient==0.10.4 # via nbconvert nbconvert==7.16.6 # via @@ -488,21 +489,21 @@ nest-asyncio==1.6.0 # jupyter-client # nbclassic # notebook -netcdf4==1.7.3 +netcdf4==1.7.4 # via boltztrap2 -networkx==3.5 +networkx==3.6.1 # via # ifermi # pymatgen # robocrys # scikit-image -nodeenv==1.9.1 +nodeenv==1.10.0 # via pre-commit notebook==6.5.7 # via jupyterlab notebook-shim==0.2.4 # via nbclassic -numba==0.62.1 +numba==0.63.1 # via # hiphive # sparse @@ -548,11 +549,12 @@ numpy==1.26.4 # trimesh numpy-stl==3.2.0 # via meshcut -orjson==3.11.4 +orjson==3.11.5 # via # kaleido + # mp-api # pymatgen -packaging==25.0 +packaging==26.0 # via # black # dask @@ -590,7 +592,7 @@ parso==0.8.5 # via jedi partd==1.4.2 # via dask -pathspec==0.12.1 +pathspec==1.0.3 # via black percy==2.0.2 # via dash @@ -598,23 +600,23 @@ pexpect==4.9.0 # via # dephell-shells # ipython -phonopy==2.43.6 +phonopy==2.47.1 # via crystal_toolkit (pyproject.toml) -pillow==12.0.0 +pillow==12.1.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.5.0 +platformdirs==4.5.1 # via # black # jupyter-core # virtualenv -playwright==1.55.0 +playwright==1.57.0 # via # crystal_toolkit (pyproject.toml) # pytest-playwright -plotly==6.4.0 +plotly==6.5.2 # via # dash # ifermi @@ -623,9 +625,9 @@ pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.3.0 +pre-commit==4.5.1 # via crystal_toolkit (pyproject.toml) -prometheus-client==0.23.1 +prometheus-client==0.24.1 # via # jupyter-server # notebook @@ -635,7 +637,7 @@ propcache==0.4.1 # via # aiohttp # yarl -psutil==7.1.3 +psutil==7.2.1 # via # dash # distributed @@ -657,17 +659,17 @@ pybtex==0.25.1 # via # emmet-core # robocrys -pycparser==2.23 +pycparser==3.0 # via cffi -pydantic==2.12.3 +pydantic==2.12.5 # via # dash-extensions # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.4 +pydantic-core==2.41.5 # via pydantic -pydantic-settings==2.11.0 +pydantic-settings==2.12.0 # via # crystal_toolkit (pyproject.toml) # emmet-core @@ -686,7 +688,7 @@ pygments==2.19.2 # nbconvert # pytest # sphinx -pylops==2.5.0 +pylops==2.6.0 # via py4dstem pymatgen==2025.10.7 # via @@ -699,15 +701,15 @@ pymatgen==2025.10.7 # robocrys pymatgen-io-validation==0.1.2 # via emmet-core -pymongo==4.15.3 +pymongo==4.16.0 # via matminer -pyparsing==3.2.5 +pyparsing==3.3.2 # via # bibtexparser # matplotlib pysocks==1.7.1 # via requests -pytest==8.4.2 +pytest==9.0.2 # via # crystal_toolkit (pyproject.toml) # dash @@ -719,7 +721,7 @@ pytest-base-url==2.1.0 # via pytest-playwright pytest-cov==7.0.0 # via crystal_toolkit (pyproject.toml) -pytest-playwright==0.7.1 +pytest-playwright==0.7.2 # via crystal_toolkit (pyproject.toml) pytest-timeout==2.4.0 # via kaleido @@ -738,7 +740,7 @@ python-slugify==8.0.4 # via pytest-playwright python-utils==3.9.1 # via numpy-stl -pytokens==0.2.0 +pytokens==0.4.0 # via black pytz==2025.2 # via pandas @@ -760,7 +762,7 @@ pyzmq==27.1.0 # notebook recommonmark==0.7.1 # via crystal_toolkit (pyproject.toml) -redis==7.0.1 +redis==7.1.0 # via crystal_toolkit (pyproject.toml) referencing==0.37.0 # via @@ -796,25 +798,22 @@ rfc3986-validator==0.1.1 # jupyter-events rfc3987-syntax==1.1.0 # via jsonschema -robocrys==0.2.11 +robocrys==0.2.13 # via crystal_toolkit (pyproject.toml) -roman-numerals-py==3.1.0 +roman-numerals==4.1.0 # via sphinx -rpds-py==0.28.0 +rpds-py==0.30.0 # via # jsonschema # referencing -ruamel-yaml==0.18.16 +ruamel-yaml==0.19.1 # via # dephell # monty # pymatgen - # robocrys -ruamel-yaml-clib==0.2.14 - # via ruamel-yaml -s3transfer==0.14.0 +s3transfer==0.16.0 # via boto3 -scikit-image==0.25.2 +scikit-image==0.26.0 # via # crystal_toolkit (pyproject.toml) # ifermi @@ -829,13 +828,14 @@ scikit-learn==1.4.2 # trainstation scikit-optimize==0.10.2 # via py4dstem -scipy==1.16.3 +scipy==1.17.0 # via # ase # boltztrap2 # dscribe # hiphive # ifermi + # matminer # meshcut # ncempy # py4dstem @@ -851,7 +851,7 @@ selenium==3.141.0 # via # crystal_toolkit (pyproject.toml) # dash -send2trash==1.8.3 +send2trash==2.1.0 # via # jupyter-server # notebook @@ -866,19 +866,17 @@ six==1.17.0 # jsbeautifier # python-dateutil # rfc3339-validator -smart-open==7.4.4 +smart-open==7.5.0 # via mp-api -sniffio==1.3.1 - # via anyio snowballstemmer==3.0.1 # via sphinx sortedcontainers==2.4.0 # via distributed -soupsieve==2.8 +soupsieve==2.8.3 # via beautifulsoup4 sparse==0.17.0 # via dscribe -spglib==2.6.0 +spglib==2.7.0 # via # boltztrap2 # hiphive @@ -887,12 +885,12 @@ spglib==2.6.0 # pymatgen # robocrys # symfc -sphinx==8.2.3 +sphinx==9.1.0 # via # recommonmark # sphinx-rtd-theme # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 +sphinx-rtd-theme==3.1.0 # via crystal_toolkit (pyproject.toml) sphinxcontrib-applehelp==2.0.0 # via sphinx @@ -910,7 +908,7 @@ sphinxcontrib-serializinghtml==2.0.0 # via sphinx stack-data==0.6.3 # via ipython -symfc==1.5.4 +symfc==1.6.0 # via phonopy sympy==1.14.0 # via @@ -921,9 +919,9 @@ tabulate==0.9.0 # via # ifermi # pymatgen -tblib==3.2.1 +tblib==3.2.2 # via distributed -termcolor==3.2.0 +termcolor==3.3.0 # via yaspin terminado==0.18.1 # via @@ -936,18 +934,18 @@ threadpoolctl==3.6.0 # via # py4dstem # scikit-learn -tifffile==2025.10.16 +tifffile==2026.1.14 # via scikit-image tinycss2==1.4.0 # via bleach -tomlkit==0.13.3 +tomlkit==0.14.0 # via dephell toolz==1.1.0 # via # dask # distributed # partd -tornado==6.5.2 +tornado==6.5.4 # via # distributed # ipykernel @@ -980,14 +978,13 @@ traitlets==5.14.3 # nbconvert # nbformat # notebook -trimesh==4.9.0 +trimesh==4.11.1 # via ifermi typeguard==4.4.4 # via inflect typing-extensions==4.15.0 # via # aiosignal - # aiosqlite # anyio # beautifulsoup4 # dash @@ -1006,7 +1003,7 @@ typing-inspection==0.4.2 # via # pydantic # pydantic-settings -tzdata==2025.2 +tzdata==2025.3 # via # arrow # pandas @@ -1021,13 +1018,13 @@ urllib3==1.26.20 # distributed # requests # selenium -virtualenv==20.35.4 +virtualenv==20.36.1 # via pre-commit vtk==9.5.2 # via dash-vtk waitress==3.0.2 # via dash -wcwidth==0.2.14 +wcwidth==0.3.0 # via prompt-toolkit webcolors==25.10.0 # via @@ -1039,11 +1036,11 @@ webencodings==0.5.1 # tinycss2 websocket-client==1.9.0 # via jupyter-server -werkzeug==3.1.3 +werkzeug==3.1.5 # via # dash # flask -wrapt==2.0.0 +wrapt==2.0.1 # via smart-open y-py==0.6.2 # via @@ -1051,7 +1048,7 @@ y-py==0.6.2 # ypy-websocket yarl==1.22.0 # via aiohttp -yaspin==3.3.0 +yaspin==3.4.0 # via dephell ypy-websocket==0.8.4 # via jupyter-server-ydoc @@ -1059,9 +1056,9 @@ zict==3.0.0 # via distributed zipp==3.23.0 # via importlib-metadata -zope-event==6.0 +zope-event==6.1 # via gevent -zope-interface==8.0.1 +zope-interface==8.2 # via gevent # The following packages are considered to be unsafe in a requirements file: