diff --git a/requirements/ubuntu-latest_py3.11.txt b/requirements/ubuntu-latest_py3.11.txt index 055cd07e..9be35966 100644 --- a/requirements/ubuntu-latest_py3.11.txt +++ b/requirements/ubuntu-latest_py3.11.txt @@ -4,231 +4,106 @@ # # pip-compile --output-file=requirements/ubuntu-latest_py3.11.txt pyproject.toml # -aiofiles==22.1.0 - # via ypy-websocket aioitertools==0.12.0 # via maggma -aiosqlite==0.21.0 - # via ypy-websocket annotated-types==0.7.0 # via pydantic -anyio==4.9.0 - # via jupyter-server -argon2-cffi==25.1.0 - # via - # jupyter-server - # notebook -argon2-cffi-bindings==21.2.0 - # via argon2-cffi -arrow==1.3.0 - # via isoduration -asttokens==3.0.0 - # via stack-data attrs==25.3.0 # via # jsonlines # jsonschema # referencing -babel==2.17.0 - # via jupyterlab-server bcrypt==4.3.0 # via paramiko -beautifulsoup4==4.13.4 - # via nbconvert bibtexparser==1.4.3 # via pymatgen -bleach[css]==6.2.0 - # via nbconvert blinker==1.9.0 # via flask -boto3==1.39.14 +boto3==1.40.31 # via maggma -botocore==1.39.14 +botocore==1.40.31 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -certifi==2025.7.14 +certifi==2025.8.3 # via requests -cffi==1.17.1 +cffi==2.0.0 # via - # argon2-cffi-bindings # cryptography # pynacl -charset-normalizer==3.4.2 +charset-normalizer==3.4.3 # via requests click==8.2.1 # via flask -comm==0.2.3 - # via ipykernel contourpy==1.3.3 # via matplotlib -cryptography==45.0.5 +cryptography==45.0.7 # via paramiko -crystaltoolkit-extension==0.6.0 - # via crystal_toolkit (pyproject.toml) cycler==0.12.1 # via matplotlib -dash==3.1.1 +dash==3.2.0 # via crystal_toolkit (pyproject.toml) dash-mp-components==0.4.47 # via crystal_toolkit (pyproject.toml) -debugpy==1.8.15 - # via ipykernel -decorator==5.2.1 - # via ipython -defusedxml==0.7.1 - # via nbconvert -dnspython==2.7.0 +dnspython==2.8.0 # via # maggma # pymongo -emmet-core==0.84.9rc0 +emmet-core==0.84.10rc2 # via mp-api -entrypoints==0.4 - # via jupyter-client -executing==2.2.0 - # via stack-data -fastjsonschema==2.21.1 - # via nbformat -flask==3.1.1 +flask==3.1.2 # via # dash # flask-caching flask-caching==2.3.1 # via crystal_toolkit (pyproject.toml) -fonttools==4.59.0 +fonttools==4.59.2 # via matplotlib -fqdn==1.5.1 - # via jsonschema frozendict==2.4.6 # via crystal_toolkit (pyproject.toml) idna==3.10 - # via - # anyio - # jsonschema - # requests + # via requests imageio==2.37.0 # via scikit-image importlib-metadata==8.7.0 # via dash -ipykernel==6.29.5 - # via - # nbclassic - # notebook -ipython==9.4.0 - # via - # ipykernel - # jupyterlab -ipython-genutils==0.2.0 - # via - # nbclassic - # notebook -ipython-pygments-lexers==1.1.1 - # via ipython -isoduration==20.11.0 - # via jsonschema +invoke==2.2.0 + # via paramiko itsdangerous==2.2.0 # via flask -jedi==0.19.2 - # via ipython jinja2==3.1.6 - # via - # flask - # jupyter-server - # jupyterlab - # jupyterlab-server - # nbconvert - # notebook + # via flask jmespath==1.0.1 # via # boto3 # botocore -joblib==1.5.1 +joblib==1.5.2 # via # pymatgen # scikit-learn -json5==0.12.0 - # via jupyterlab-server jsonlines==4.0.0 # via maggma -jsonpointer==3.0.0 - # via jsonschema -jsonschema[format-nongpl]==4.25.0 - # via - # jupyter-events - # jupyterlab-server - # maggma - # nbformat -jsonschema-specifications==2025.4.1 +jsonschema==4.25.1 + # via maggma +jsonschema-specifications==2025.9.1 # via jsonschema -jupyter-client==7.4.9 - # via - # ipykernel - # jupyter-server - # nbclient - # notebook -jupyter-core==5.8.1 - # via - # ipykernel - # jupyter-client - # jupyter-server - # jupyterlab - # nbclient - # nbconvert - # nbformat - # notebook -jupyter-events==0.12.0 - # via - # jupyter-server - # jupyter-server-fileid -jupyter-server==2.16.0 - # via - # jupyter-server-fileid - # jupyterlab - # jupyterlab-server - # notebook-shim -jupyter-server-fileid==0.9.3 - # via jupyter-server-ydoc -jupyter-server-terminals==0.5.3 - # via jupyter-server -jupyter-server-ydoc==0.8.0 - # via jupyterlab -jupyter-ydoc==0.2.5 - # via - # jupyter-server-ydoc - # jupyterlab -jupyterlab==3.6.8 - # via crystaltoolkit-extension -jupyterlab-pygments==0.3.0 - # via nbconvert -jupyterlab-server==2.27.3 - # via jupyterlab -kiwisolver==1.4.8 +kiwisolver==1.4.9 # via matplotlib -lark==1.2.2 - # via rfc3987-syntax latexcodec==3.0.1 # via pybtex lazy-loader==0.4 # via scikit-image -maggma==0.71.5 +maggma==0.72.0 # via mp-api markupsafe==3.0.2 # via # flask # jinja2 - # nbconvert # werkzeug -matplotlib==3.10.3 +matplotlib==3.10.6 # via pymatgen -matplotlib-inline==0.1.7 - # via - # ipykernel - # ipython -mistune==3.1.3 - # via nbconvert mongomock==4.3.0 # via maggma monty==2025.3.3 @@ -237,7 +112,7 @@ monty==2025.3.3 # maggma # mp-api # pymatgen -mp-api==0.45.7 +mp-api==0.45.9 # via crystal_toolkit (pyproject.toml) mpmath==1.3.0 # via sympy @@ -245,40 +120,15 @@ msgpack==1.1.1 # via # maggma # mp-api -narwhals==2.0.0 +narwhals==2.5.0 # via plotly -nbclassic==1.3.1 - # via - # jupyterlab - # notebook -nbclient==0.10.2 - # via nbconvert -nbconvert==7.16.6 - # via - # jupyter-server - # notebook -nbformat==5.10.4 - # via - # jupyter-server - # nbclient - # nbconvert - # notebook nest-asyncio==1.6.0 - # via - # dash - # ipykernel - # jupyter-client - # nbclassic - # notebook + # via dash networkx==3.5 # via # pymatgen # scikit-image -notebook==6.5.7 - # via jupyterlab -notebook-shim==0.2.4 - # via nbclassic -numpy==2.3.2 +numpy==2.3.3 # via # contourpy # imageio @@ -287,79 +137,51 @@ numpy==2.3.2 # monty # pandas # pymatgen + # pymatgen-io-validation # scikit-image # scikit-learn # scipy # shapely # spglib # tifffile -orjson==3.11.1 +orjson==3.11.3 # via # maggma # pymatgen -overrides==7.7.0 - # via jupyter-server packaging==25.0 # via - # ipykernel - # jupyter-events - # jupyter-server - # jupyterlab - # jupyterlab-server # lazy-loader # matplotlib # mongomock - # nbconvert # plotly # scikit-image palettable==3.3.3 # via pymatgen -pandas==2.3.1 +pandas==2.3.2 # via # maggma # pymatgen -pandocfilters==1.5.1 - # via nbconvert -paramiko==3.5.1 +paramiko==4.0.0 # via sshtunnel -parso==0.8.4 - # via jedi -pexpect==4.9.0 - # via ipython pillow==11.3.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.3.8 - # via jupyter-core -plotly==6.2.0 +plotly==6.3.0 # via # dash # pymatgen -prometheus-client==0.22.1 - # via - # jupyter-server - # notebook -prompt-toolkit==3.0.51 - # via ipython -psutil==7.0.0 - # via ipykernel -ptyprocess==0.7.0 - # via - # pexpect - # terminado -pure-eval==0.2.3 - # via stack-data pybtex==0.25.1 # via emmet-core -pycparser==2.22 +pycparser==2.23 # via cffi -pydantic==2.11.7 +pydantic==2.11.9 # via # emmet-core # maggma # pydantic-settings + # pymatgen-io-validation pydantic-core==2.33.2 # via pydantic pydantic-settings==2.10.1 @@ -367,172 +189,103 @@ pydantic-settings==2.10.1 # crystal_toolkit (pyproject.toml) # emmet-core # maggma + # pymatgen-io-validation pydash==8.0.5 # via maggma -pygments==2.19.2 - # via - # ipython - # ipython-pygments-lexers - # nbconvert pymatgen==2025.6.14 # via # crystal_toolkit (pyproject.toml) # emmet-core # mp-api + # pymatgen-io-validation +pymatgen-io-validation==0.1.1 + # via emmet-core pymongo==4.10.1 # via maggma -pynacl==1.5.0 +pynacl==1.6.0 # via paramiko -pyparsing==3.2.3 +pyparsing==3.2.4 # via # bibtexparser # matplotlib python-dateutil==2.9.0.post0 # via - # arrow # botocore - # jupyter-client # maggma # matplotlib # pandas python-dotenv==1.1.1 # via pydantic-settings -python-json-logger==3.3.0 - # via jupyter-events pytz==2025.2 # via # mongomock # pandas pyyaml==6.0.2 - # via - # jupyter-events - # pybtex -pyzmq==27.0.0 - # via - # ipykernel - # jupyter-client - # jupyter-server - # maggma - # notebook + # via pybtex +pyzmq==27.1.0 + # via maggma referencing==0.36.2 # via # jsonschema # jsonschema-specifications - # jupyter-events -requests==2.32.4 +requests==2.32.5 # via # dash - # jupyterlab-server # mp-api # pymatgen -retrying==1.4.1 + # pymatgen-io-validation +retrying==1.4.2 # via dash -rfc3339-validator==0.1.4 - # via - # jsonschema - # jupyter-events -rfc3986-validator==0.1.1 - # via - # jsonschema - # jupyter-events -rfc3987-syntax==1.1.0 - # via jsonschema -rpds-py==0.26.0 +rpds-py==0.27.1 # via # jsonschema # referencing -ruamel-yaml==0.18.14 +ruamel-yaml==0.18.15 # via # maggma # monty # pymatgen ruamel-yaml-clib==0.2.12 # via ruamel-yaml -s3transfer==0.13.1 +s3transfer==0.14.0 # via boto3 scikit-image==0.25.2 # via crystal_toolkit (pyproject.toml) -scikit-learn==1.7.1 +scikit-learn==1.7.2 # via crystal_toolkit (pyproject.toml) -scipy==1.16.1 +scipy==1.16.2 # via # pymatgen # scikit-image # scikit-learn -send2trash==1.8.3 - # via - # jupyter-server - # notebook -sentinels==1.0.0 +sentinels==1.1.1 # via mongomock shapely==2.1.1 # via crystal_toolkit (pyproject.toml) six==1.17.0 - # via - # python-dateutil - # rfc3339-validator -smart-open==7.3.0.post1 + # via python-dateutil +smart-open==7.3.1 # via mp-api -sniffio==1.3.1 - # via anyio -soupsieve==2.7 - # via beautifulsoup4 spglib==2.6.0 # via pymatgen sshtunnel==0.4.0 # via maggma -stack-data==0.6.3 - # via ipython sympy==1.14.0 # via pymatgen tabulate==0.9.0 # via pymatgen -terminado==0.18.1 - # via - # jupyter-server - # jupyter-server-terminals - # notebook threadpoolctl==3.6.0 # via scikit-learn -tifffile==2025.6.11 +tifffile==2025.9.9 # via scikit-image -tinycss2==1.4.0 - # via bleach -tornado==6.5.1 - # via - # ipykernel - # jupyter-client - # jupyter-server - # jupyterlab - # notebook - # terminado tqdm==4.67.1 # via # maggma # pymatgen -traitlets==5.14.3 - # via - # ipykernel - # ipython - # jupyter-client - # jupyter-core - # jupyter-events - # jupyter-server - # matplotlib-inline - # nbclient - # nbconvert - # nbformat - # notebook -types-python-dateutil==2.9.0.20250708 - # via arrow -typing-extensions==4.14.1 - # via - # aiosqlite - # anyio - # beautifulsoup4 +typing-extensions==4.15.0 + # via # dash # emmet-core - # ipython # mp-api # pydantic # pydantic-core @@ -548,36 +301,18 @@ tzdata==2025.2 # via pandas uncertainties==3.2.3 # via pymatgen -uri-template==1.3.0 - # via jsonschema urllib3==2.5.0 # via # botocore # requests -wcwidth==0.2.13 - # via prompt-toolkit webcolors==24.11.1 - # via - # crystal_toolkit (pyproject.toml) - # jsonschema -webencodings==0.5.1 - # via - # bleach - # tinycss2 -websocket-client==1.8.0 - # via jupyter-server + # via crystal_toolkit (pyproject.toml) werkzeug==3.1.3 # via # dash # flask -wrapt==1.17.2 +wrapt==1.17.3 # via smart-open -y-py==0.6.2 - # via - # jupyter-ydoc - # ypy-websocket -ypy-websocket==0.8.4 - # via jupyter-server-ydoc 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 53ce806e..a085150c 100644 --- a/requirements/ubuntu-latest_py3.11_extras.txt +++ b/requirements/ubuntu-latest_py3.11_extras.txt @@ -8,7 +8,7 @@ aiofiles==22.1.0 # via ypy-websocket aiohappyeyeballs==2.6.1 # via aiohttp -aiohttp==3.12.14 +aiohttp==3.12.15 # via dephell aioitertools==0.12.0 # via maggma @@ -20,7 +20,7 @@ alabaster==1.0.0 # via sphinx annotated-types==0.7.0 # via pydantic -anyio==4.9.0 +anyio==4.10.0 # via # httpx # jupyter-server @@ -28,11 +28,11 @@ argon2-cffi==25.1.0 # via # jupyter-server # notebook -argon2-cffi-bindings==21.2.0 +argon2-cffi-bindings==25.1.0 # via argon2-cffi arrow==1.3.0 # via isoduration -ase==3.25.0 +ase==3.26.0 # via # boltztrap2 # dscribe @@ -60,7 +60,7 @@ babel==2.17.0 # sphinx bcrypt==4.3.0 # via paramiko -beautifulsoup4==4.13.4 +beautifulsoup4==4.13.5 # via # dash # gdown @@ -75,9 +75,9 @@ blinker==1.9.0 # via flask boltztrap2==25.3.1 # via ifermi -boto3==1.39.14 +boto3==1.40.31 # via maggma -botocore==1.39.14 +botocore==1.40.31 # via # boto3 # s3transfer @@ -85,14 +85,14 @@ cachelib==0.13.0 # via flask-caching cerberus==1.3.7 # via dephell -certifi==2025.7.14 +certifi==2025.8.3 # via # dephell # httpcore # httpx # netcdf4 # requests -cffi==1.17.1 +cffi==2.0.0 # via # argon2-cffi-bindings # cryptography @@ -101,9 +101,9 @@ cfgv==3.4.0 # via pre-commit cftime==1.6.4.post1 # via netcdf4 -charset-normalizer==3.4.2 +charset-normalizer==3.4.3 # via requests -choreographer==1.0.9 +choreographer==1.0.10 # via kaleido click==8.2.1 # via @@ -124,9 +124,9 @@ commonmark==0.9.1 # via recommonmark contourpy==1.3.3 # via matplotlib -coverage[toml]==7.10.1 +coverage[toml]==7.10.6 # via pytest-cov -cryptography==45.0.5 +cryptography==45.0.7 # via # dash # paramiko @@ -134,9 +134,9 @@ crystaltoolkit-extension==0.6.0 # via crystal_toolkit (pyproject.toml) cycler==0.12.1 # via matplotlib -cython==3.1.2 +cython==3.1.3 # via boltztrap2 -dash[testing]==3.1.1 +dash[testing]==3.2.0 # via # crystal_toolkit (pyproject.toml) # dash-extensions @@ -149,13 +149,13 @@ dash-testing-stub==0.0.2 # via dash dash-vtk==0.0.9 # via crystal_toolkit (pyproject.toml) -dask==2025.7.0 +dask==2025.9.0 # via # distributed # py4dstem dataclass-wizard==0.35.1 # via dash-extensions -debugpy==1.8.15 +debugpy==1.8.16 # via ipykernel decorator==5.2.1 # via ipython @@ -200,9 +200,9 @@ dill==0.4.0 # py4dstem distlib==0.4.0 # via virtualenv -distributed==2025.7.0 +distributed==2025.9.0 # via py4dstem -dnspython==2.7.0 +dnspython==2.8.0 # via # maggma # pymongo @@ -218,19 +218,19 @@ editorconfig==0.17.1 # via jsbeautifier emdfile==0.0.16 # via py4dstem -emmet-core==0.84.9rc0 +emmet-core==0.84.10rc2 # via mp-api entrypoints==0.4 # via jupyter-client -executing==2.2.0 +executing==2.2.1 # via stack-data -fastjsonschema==2.21.1 +fastjsonschema==2.21.2 # via nbformat -filelock==3.18.0 +filelock==3.19.1 # via # gdown # virtualenv -flask==3.1.1 +flask==3.1.2 # via # dash # flask-caching @@ -238,7 +238,7 @@ flask-caching==2.3.1 # via # crystal_toolkit (pyproject.toml) # dash-extensions -fonttools==4.59.0 +fonttools==4.59.2 # via matplotlib fqdn==1.5.1 # via jsonschema @@ -248,13 +248,13 @@ frozenlist==1.7.0 # via # aiohttp # aiosignal -fsspec==2025.7.0 +fsspec==2025.9.0 # via dask gdown==5.2.0 # via py4dstem -gevent==25.5.1 +gevent==25.8.2 # via gunicorn -greenlet==3.2.3 +greenlet==3.2.4 # via # gevent # playwright @@ -274,13 +274,13 @@ habanero==2.3.0 # via crystal_toolkit (pyproject.toml) hdf5plugin==5.1.0 # via py4dstem -hiphive==1.4 +hiphive==1.5 # via crystal_toolkit (pyproject.toml) httpcore==1.0.9 # via httpx httpx==0.28.1 # via habanero -identify==2.6.12 +identify==2.6.14 # via pre-commit idna==3.10 # via @@ -303,11 +303,13 @@ inflect==7.5.0 # via robocrys iniconfig==2.1.0 # via pytest +invoke==2.2.0 + # via paramiko ipykernel==6.29.5 # via # nbclassic # notebook -ipython==9.4.0 +ipython==9.5.0 # via # ipykernel # jupyterlab @@ -339,7 +341,7 @@ jmespath==1.0.1 # via # boto3 # botocore -joblib==1.5.1 +joblib==1.5.2 # via # dscribe # pymatgen @@ -347,19 +349,19 @@ joblib==1.5.1 # scikit-optimize jsbeautifier==1.15.4 # via dash-extensions -json5==0.12.0 +json5==0.12.1 # via jupyterlab-server jsonlines==4.0.0 # via maggma jsonpointer==3.0.0 # via jsonschema -jsonschema[format-nongpl]==4.25.0 +jsonschema[format-nongpl]==4.25.1 # via # jupyter-events # jupyterlab-server # maggma # nbformat -jsonschema-specifications==2025.4.1 +jsonschema-specifications==2025.9.1 # via jsonschema jupyter-client==7.4.9 # via @@ -381,7 +383,7 @@ jupyter-events==0.12.0 # via # jupyter-server # jupyter-server-fileid -jupyter-server==2.16.0 +jupyter-server==2.17.0 # via # jupyter-server-fileid # jupyterlab @@ -403,9 +405,9 @@ jupyterlab-pygments==0.3.0 # via nbconvert jupyterlab-server==2.27.3 # via jupyterlab -kaleido==1.0.0 +kaleido==1.1.0 # via crystal_toolkit (pyproject.toml) -kiwisolver==1.4.8 +kiwisolver==1.4.9 # via matplotlib lark==1.2.2 # via rfc3987-syntax @@ -423,11 +425,11 @@ logistro==1.1.0 # via # choreographer # kaleido -lxml==6.0.0 +lxml==6.0.1 # via dash m2r==0.2.1 # via dephell -maggma==0.71.5 +maggma==0.72.0 # via mp-api markupsafe==3.0.2 # via @@ -437,7 +439,7 @@ markupsafe==3.0.2 # werkzeug matminer==0.9.3 # via robocrys -matplotlib==3.10.3 +matplotlib==3.10.6 # via # ase # boltztrap2 @@ -453,7 +455,7 @@ matplotlib-inline==0.1.7 # ipython meshcut==0.3.0 # via ifermi -mistune==3.1.3 +mistune==3.1.4 # via # m2r # nbconvert @@ -468,11 +470,11 @@ monty==2025.3.3 # mp-api # pymatgen # robocrys -more-itertools==10.7.0 +more-itertools==10.8.0 # via # dash-extensions # inflect -mp-api==0.45.7 +mp-api==0.45.9 # via crystal_toolkit (pyproject.toml) mpire==2.10.2 # via py4dstem @@ -483,7 +485,7 @@ msgpack==1.1.1 # distributed # maggma # mp-api -multidict==6.6.3 +multidict==6.6.4 # via # aiohttp # yarl @@ -491,9 +493,9 @@ multiprocess==0.70.18 # via dash mypy-extensions==1.1.0 # via black -narwhals==2.0.0 +narwhals==2.5.0 # via plotly -nbclassic==1.3.1 +nbclassic==1.3.2 # via # jupyterlab # notebook @@ -564,6 +566,7 @@ numpy==1.26.4 # pyfftw # pylops # pymatgen + # pymatgen-io-validation # robocrys # scikit-image # scikit-learn @@ -578,7 +581,7 @@ numpy==1.26.4 # trimesh numpy-stl==3.2.0 # via meshcut -orjson==3.11.1 +orjson==3.11.3 # via # kaleido # maggma @@ -614,7 +617,7 @@ packaging==25.0 # sphinx palettable==3.3.3 # via pymatgen -pandas==2.3.1 +pandas==2.3.2 # via # hiphive # maggma @@ -622,9 +625,9 @@ pandas==2.3.1 # pymatgen pandocfilters==1.5.1 # via nbconvert -paramiko==3.5.1 +paramiko==4.0.0 # via sshtunnel -parso==0.8.4 +parso==0.8.5 # via jedi partd==1.4.2 # via dask @@ -636,23 +639,23 @@ pexpect==4.9.0 # via # dephell-shells # ipython -phonopy==2.42.0 +phonopy==2.43.2 # via crystal_toolkit (pyproject.toml) pillow==11.3.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.3.8 +platformdirs==4.4.0 # via # black # jupyter-core # virtualenv -playwright==1.54.0 +playwright==1.55.0 # via # crystal_toolkit (pyproject.toml) # pytest-playwright -plotly==6.2.0 +plotly==6.3.0 # via # dash # ifermi @@ -661,13 +664,13 @@ pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.2.0 +pre-commit==4.3.0 # via crystal_toolkit (pyproject.toml) prometheus-client==0.22.1 # via # jupyter-server # notebook -prompt-toolkit==3.0.51 +prompt-toolkit==3.0.52 # via ipython propcache==0.3.2 # via @@ -683,7 +686,7 @@ ptyprocess==0.7.0 # via # pexpect # terminado -pubchempy==1.0.4 +pubchempy==1.0.5 # via robocrys pure-eval==0.2.3 # via stack-data @@ -695,14 +698,15 @@ pybtex==0.25.1 # via # emmet-core # robocrys -pycparser==2.22 +pycparser==2.23 # via cffi -pydantic==2.11.7 +pydantic==2.11.9 # via # dash-extensions # emmet-core # maggma # pydantic-settings + # pymatgen-io-validation pydantic-core==2.33.2 # via pydantic pydantic-settings==2.10.1 @@ -710,6 +714,7 @@ pydantic-settings==2.10.1 # crystal_toolkit (pyproject.toml) # emmet-core # maggma + # pymatgen-io-validation pydash==8.0.5 # via maggma pyee==13.0.0 @@ -735,32 +740,38 @@ pymatgen==2025.6.14 # ifermi # matminer # mp-api + # pymatgen-io-validation # robocrys +pymatgen-io-validation==0.1.1 + # via emmet-core pymongo==4.10.1 # via # maggma # matminer -pynacl==1.5.0 +pynacl==1.6.0 # via paramiko -pyparsing==3.2.3 +pyparsing==3.2.4 # via # bibtexparser # matplotlib pysocks==1.7.1 # via requests -pytest==8.4.1 +pytest==8.4.2 # via # crystal_toolkit (pyproject.toml) # dash # pytest-base-url # pytest-cov # pytest-playwright + # pytest-timeout pytest-base-url==2.1.0 # via pytest-playwright -pytest-cov==6.2.1 +pytest-cov==7.0.0 # via crystal_toolkit (pyproject.toml) -pytest-playwright==0.7.0 +pytest-playwright==0.7.1 # via crystal_toolkit (pyproject.toml) +pytest-timeout==2.4.0 + # via kaleido python-dateutil==2.9.0.post0 # via # arrow @@ -791,7 +802,7 @@ pyyaml==6.0.2 # pre-commit # pyaml # pybtex -pyzmq==27.0.0 +pyzmq==27.1.0 # via # ipykernel # jupyter-client @@ -800,14 +811,14 @@ pyzmq==27.0.0 # notebook recommonmark==0.7.1 # via crystal_toolkit (pyproject.toml) -redis==6.2.0 +redis==6.4.0 # via crystal_toolkit (pyproject.toml) referencing==0.36.2 # via # jsonschema # jsonschema-specifications # jupyter-events -requests[security,socks]==2.32.4 +requests[security,socks]==2.32.5 # via # dash # dephell @@ -820,9 +831,10 @@ requests[security,socks]==2.32.4 # mp-api # percy # pymatgen + # pymatgen-io-validation # pytest-base-url # sphinx -retrying==1.4.1 +retrying==1.4.2 # via dash rfc3339-validator==0.1.4 # via @@ -838,11 +850,11 @@ robocrys==0.2.11 # via crystal_toolkit (pyproject.toml) roman-numerals-py==3.1.0 # via sphinx -rpds-py==0.26.0 +rpds-py==0.27.1 # via # jsonschema # referencing -ruamel-yaml==0.18.14 +ruamel-yaml==0.18.15 # via # dephell # maggma @@ -851,7 +863,7 @@ ruamel-yaml==0.18.14 # robocrys ruamel-yaml-clib==0.2.12 # via ruamel-yaml -s3transfer==0.13.1 +s3transfer==0.14.0 # via boto3 scikit-image==0.25.2 # via @@ -862,14 +874,13 @@ scikit-learn==1.4.2 # via # crystal_toolkit (pyproject.toml) # dscribe - # hiphive # matminer # py4dstem # scikit-optimize # trainstation scikit-optimize==0.10.2 # via py4dstem -scipy==1.16.1 +scipy==1.16.2 # via # ase # boltztrap2 @@ -893,7 +904,7 @@ send2trash==1.8.3 # via # jupyter-server # notebook -sentinels==1.0.0 +sentinels==1.1.1 # via mongomock shapely==2.1.1 # via crystal_toolkit (pyproject.toml) @@ -906,7 +917,7 @@ six==1.17.0 # jsbeautifier # python-dateutil # rfc3339-validator -smart-open==7.3.0.post1 +smart-open==7.3.1 # via mp-api sniffio==1.3.1 # via anyio @@ -914,7 +925,7 @@ snowballstemmer==3.0.1 # via sphinx sortedcontainers==2.4.0 # via distributed -soupsieve==2.7 +soupsieve==2.8 # via beautifulsoup4 sparse==0.17.0 # via dscribe @@ -978,7 +989,7 @@ threadpoolctl==3.6.0 # via # py4dstem # scikit-learn -tifffile==2025.6.11 +tifffile==2025.9.9 # via scikit-image tinycss2==1.4.0 # via bleach @@ -989,7 +1000,7 @@ toolz==1.0.0 # dask # distributed # partd -tornado==6.5.1 +tornado==6.5.2 # via # distributed # ipykernel @@ -1008,7 +1019,7 @@ tqdm==4.67.1 # mpire # py4dstem # pymatgen -trainstation==1.1 +trainstation==1.2 # via hiphive traitlets==5.14.3 # via @@ -1023,13 +1034,13 @@ traitlets==5.14.3 # nbconvert # nbformat # notebook -trimesh==4.7.1 +trimesh==4.8.1 # via ifermi typeguard==4.4.4 # via inflect -types-python-dateutil==2.9.0.20250708 +types-python-dateutil==2.9.0.20250822 # via arrow -typing-extensions==4.14.1 +typing-extensions==4.15.0 # via # aiosignal # aiosqlite @@ -1066,9 +1077,9 @@ urllib3==2.5.0 # habanero # requests # selenium -virtualenv==20.32.0 +virtualenv==20.34.0 # via pre-commit -vtk==9.5.0 +vtk==9.5.1 # via dash-vtk waitress==3.0.2 # via dash @@ -1088,7 +1099,7 @@ werkzeug==3.1.3 # via # dash # flask -wrapt==1.17.2 +wrapt==1.17.3 # via smart-open y-py==0.6.2 # via @@ -1104,9 +1115,9 @@ zict==3.0.0 # via distributed zipp==3.23.0 # via importlib-metadata -zope-event==5.1.1 +zope-event==6.0 # via gevent -zope-interface==7.2 +zope-interface==8.0 # 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 df803e16..ef16663e 100644 --- a/requirements/ubuntu-latest_py3.12.txt +++ b/requirements/ubuntu-latest_py3.12.txt @@ -4,231 +4,106 @@ # # pip-compile --output-file=requirements/ubuntu-latest_py3.12.txt pyproject.toml # -aiofiles==22.1.0 - # via ypy-websocket aioitertools==0.12.0 # via maggma -aiosqlite==0.21.0 - # via ypy-websocket annotated-types==0.7.0 # via pydantic -anyio==4.9.0 - # via jupyter-server -argon2-cffi==25.1.0 - # via - # jupyter-server - # notebook -argon2-cffi-bindings==21.2.0 - # via argon2-cffi -arrow==1.3.0 - # via isoduration -asttokens==3.0.0 - # via stack-data attrs==25.3.0 # via # jsonlines # jsonschema # referencing -babel==2.17.0 - # via jupyterlab-server bcrypt==4.3.0 # via paramiko -beautifulsoup4==4.13.4 - # via nbconvert bibtexparser==1.4.3 # via pymatgen -bleach[css]==6.2.0 - # via nbconvert blinker==1.9.0 # via flask -boto3==1.39.14 +boto3==1.40.31 # via maggma -botocore==1.39.14 +botocore==1.40.31 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -certifi==2025.7.14 +certifi==2025.8.3 # via requests -cffi==1.17.1 +cffi==2.0.0 # via - # argon2-cffi-bindings # cryptography # pynacl -charset-normalizer==3.4.2 +charset-normalizer==3.4.3 # via requests click==8.2.1 # via flask -comm==0.2.3 - # via ipykernel contourpy==1.3.3 # via matplotlib -cryptography==45.0.5 +cryptography==45.0.7 # via paramiko -crystaltoolkit-extension==0.6.0 - # via crystal_toolkit (pyproject.toml) cycler==0.12.1 # via matplotlib -dash==3.1.1 +dash==3.2.0 # via crystal_toolkit (pyproject.toml) dash-mp-components==0.4.47 # via crystal_toolkit (pyproject.toml) -debugpy==1.8.15 - # via ipykernel -decorator==5.2.1 - # via ipython -defusedxml==0.7.1 - # via nbconvert -dnspython==2.7.0 +dnspython==2.8.0 # via # maggma # pymongo -emmet-core==0.84.9rc0 +emmet-core==0.84.10rc2 # via mp-api -entrypoints==0.4 - # via jupyter-client -executing==2.2.0 - # via stack-data -fastjsonschema==2.21.1 - # via nbformat -flask==3.1.1 +flask==3.1.2 # via # dash # flask-caching flask-caching==2.3.1 # via crystal_toolkit (pyproject.toml) -fonttools==4.59.0 +fonttools==4.59.2 # via matplotlib -fqdn==1.5.1 - # via jsonschema frozendict==2.4.6 # via crystal_toolkit (pyproject.toml) idna==3.10 - # via - # anyio - # jsonschema - # requests + # via requests imageio==2.37.0 # via scikit-image importlib-metadata==8.7.0 # via dash -ipykernel==6.29.5 - # via - # nbclassic - # notebook -ipython==9.4.0 - # via - # ipykernel - # jupyterlab -ipython-genutils==0.2.0 - # via - # nbclassic - # notebook -ipython-pygments-lexers==1.1.1 - # via ipython -isoduration==20.11.0 - # via jsonschema +invoke==2.2.0 + # via paramiko itsdangerous==2.2.0 # via flask -jedi==0.19.2 - # via ipython jinja2==3.1.6 - # via - # flask - # jupyter-server - # jupyterlab - # jupyterlab-server - # nbconvert - # notebook + # via flask jmespath==1.0.1 # via # boto3 # botocore -joblib==1.5.1 +joblib==1.5.2 # via # pymatgen # scikit-learn -json5==0.12.0 - # via jupyterlab-server jsonlines==4.0.0 # via maggma -jsonpointer==3.0.0 - # via jsonschema -jsonschema[format-nongpl]==4.25.0 - # via - # jupyter-events - # jupyterlab-server - # maggma - # nbformat -jsonschema-specifications==2025.4.1 +jsonschema==4.25.1 + # via maggma +jsonschema-specifications==2025.9.1 # via jsonschema -jupyter-client==7.4.9 - # via - # ipykernel - # jupyter-server - # nbclient - # notebook -jupyter-core==5.8.1 - # via - # ipykernel - # jupyter-client - # jupyter-server - # jupyterlab - # nbclient - # nbconvert - # nbformat - # notebook -jupyter-events==0.12.0 - # via - # jupyter-server - # jupyter-server-fileid -jupyter-server==2.16.0 - # via - # jupyter-server-fileid - # jupyterlab - # jupyterlab-server - # notebook-shim -jupyter-server-fileid==0.9.3 - # via jupyter-server-ydoc -jupyter-server-terminals==0.5.3 - # via jupyter-server -jupyter-server-ydoc==0.8.0 - # via jupyterlab -jupyter-ydoc==0.2.5 - # via - # jupyter-server-ydoc - # jupyterlab -jupyterlab==3.6.8 - # via crystaltoolkit-extension -jupyterlab-pygments==0.3.0 - # via nbconvert -jupyterlab-server==2.27.3 - # via jupyterlab -kiwisolver==1.4.8 +kiwisolver==1.4.9 # via matplotlib -lark==1.2.2 - # via rfc3987-syntax latexcodec==3.0.1 # via pybtex lazy-loader==0.4 # via scikit-image -maggma==0.71.5 +maggma==0.72.0 # via mp-api markupsafe==3.0.2 # via # flask # jinja2 - # nbconvert # werkzeug -matplotlib==3.10.3 +matplotlib==3.10.6 # via pymatgen -matplotlib-inline==0.1.7 - # via - # ipykernel - # ipython -mistune==3.1.3 - # via nbconvert mongomock==4.3.0 # via maggma monty==2025.3.3 @@ -237,7 +112,7 @@ monty==2025.3.3 # maggma # mp-api # pymatgen -mp-api==0.45.7 +mp-api==0.45.9 # via crystal_toolkit (pyproject.toml) mpmath==1.3.0 # via sympy @@ -245,40 +120,15 @@ msgpack==1.1.1 # via # maggma # mp-api -narwhals==2.0.0 +narwhals==2.5.0 # via plotly -nbclassic==1.3.1 - # via - # jupyterlab - # notebook -nbclient==0.10.2 - # via nbconvert -nbconvert==7.16.6 - # via - # jupyter-server - # notebook -nbformat==5.10.4 - # via - # jupyter-server - # nbclient - # nbconvert - # notebook nest-asyncio==1.6.0 - # via - # dash - # ipykernel - # jupyter-client - # nbclassic - # notebook + # via dash networkx==3.5 # via # pymatgen # scikit-image -notebook==6.5.7 - # via jupyterlab -notebook-shim==0.2.4 - # via nbclassic -numpy==2.3.2 +numpy==2.3.3 # via # contourpy # imageio @@ -287,79 +137,51 @@ numpy==2.3.2 # monty # pandas # pymatgen + # pymatgen-io-validation # scikit-image # scikit-learn # scipy # shapely # spglib # tifffile -orjson==3.11.1 +orjson==3.11.3 # via # maggma # pymatgen -overrides==7.7.0 - # via jupyter-server packaging==25.0 # via - # ipykernel - # jupyter-events - # jupyter-server - # jupyterlab - # jupyterlab-server # lazy-loader # matplotlib # mongomock - # nbconvert # plotly # scikit-image palettable==3.3.3 # via pymatgen -pandas==2.3.1 +pandas==2.3.2 # via # maggma # pymatgen -pandocfilters==1.5.1 - # via nbconvert -paramiko==3.5.1 +paramiko==4.0.0 # via sshtunnel -parso==0.8.4 - # via jedi -pexpect==4.9.0 - # via ipython pillow==11.3.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.3.8 - # via jupyter-core -plotly==6.2.0 +plotly==6.3.0 # via # dash # pymatgen -prometheus-client==0.22.1 - # via - # jupyter-server - # notebook -prompt-toolkit==3.0.51 - # via ipython -psutil==7.0.0 - # via ipykernel -ptyprocess==0.7.0 - # via - # pexpect - # terminado -pure-eval==0.2.3 - # via stack-data pybtex==0.25.1 # via emmet-core -pycparser==2.22 +pycparser==2.23 # via cffi -pydantic==2.11.7 +pydantic==2.11.9 # via # emmet-core # maggma # pydantic-settings + # pymatgen-io-validation pydantic-core==2.33.2 # via pydantic pydantic-settings==2.10.1 @@ -367,169 +189,101 @@ pydantic-settings==2.10.1 # crystal_toolkit (pyproject.toml) # emmet-core # maggma + # pymatgen-io-validation pydash==8.0.5 # via maggma -pygments==2.19.2 - # via - # ipython - # ipython-pygments-lexers - # nbconvert pymatgen==2025.6.14 # via # crystal_toolkit (pyproject.toml) # emmet-core # mp-api + # pymatgen-io-validation +pymatgen-io-validation==0.1.1 + # via emmet-core pymongo==4.10.1 # via maggma -pynacl==1.5.0 +pynacl==1.6.0 # via paramiko -pyparsing==3.2.3 +pyparsing==3.2.4 # via # bibtexparser # matplotlib python-dateutil==2.9.0.post0 # via - # arrow # botocore - # jupyter-client # maggma # matplotlib # pandas python-dotenv==1.1.1 # via pydantic-settings -python-json-logger==3.3.0 - # via jupyter-events pytz==2025.2 # via # mongomock # pandas pyyaml==6.0.2 - # via - # jupyter-events - # pybtex -pyzmq==27.0.0 - # via - # ipykernel - # jupyter-client - # jupyter-server - # maggma - # notebook + # via pybtex +pyzmq==27.1.0 + # via maggma referencing==0.36.2 # via # jsonschema # jsonschema-specifications - # jupyter-events -requests==2.32.4 +requests==2.32.5 # via # dash - # jupyterlab-server # mp-api # pymatgen -retrying==1.4.1 + # pymatgen-io-validation +retrying==1.4.2 # via dash -rfc3339-validator==0.1.4 - # via - # jsonschema - # jupyter-events -rfc3986-validator==0.1.1 - # via - # jsonschema - # jupyter-events -rfc3987-syntax==1.1.0 - # via jsonschema -rpds-py==0.26.0 +rpds-py==0.27.1 # via # jsonschema # referencing -ruamel-yaml==0.18.14 +ruamel-yaml==0.18.15 # via # maggma # monty # pymatgen ruamel-yaml-clib==0.2.12 # via ruamel-yaml -s3transfer==0.13.1 +s3transfer==0.14.0 # via boto3 scikit-image==0.25.2 # via crystal_toolkit (pyproject.toml) -scikit-learn==1.7.1 +scikit-learn==1.7.2 # via crystal_toolkit (pyproject.toml) -scipy==1.16.1 +scipy==1.16.2 # via # pymatgen # scikit-image # scikit-learn -send2trash==1.8.3 - # via - # jupyter-server - # notebook -sentinels==1.0.0 +sentinels==1.1.1 # via mongomock shapely==2.1.1 # via crystal_toolkit (pyproject.toml) six==1.17.0 - # via - # python-dateutil - # rfc3339-validator -smart-open==7.3.0.post1 + # via python-dateutil +smart-open==7.3.1 # via mp-api -sniffio==1.3.1 - # via anyio -soupsieve==2.7 - # via beautifulsoup4 spglib==2.6.0 # via pymatgen sshtunnel==0.4.0 # via maggma -stack-data==0.6.3 - # via ipython sympy==1.14.0 # via pymatgen tabulate==0.9.0 # via pymatgen -terminado==0.18.1 - # via - # jupyter-server - # jupyter-server-terminals - # notebook threadpoolctl==3.6.0 # via scikit-learn -tifffile==2025.6.11 +tifffile==2025.9.9 # via scikit-image -tinycss2==1.4.0 - # via bleach -tornado==6.5.1 - # via - # ipykernel - # jupyter-client - # jupyter-server - # jupyterlab - # notebook - # terminado tqdm==4.67.1 # via # maggma # pymatgen -traitlets==5.14.3 - # via - # ipykernel - # ipython - # jupyter-client - # jupyter-core - # jupyter-events - # jupyter-server - # matplotlib-inline - # nbclient - # nbconvert - # nbformat - # notebook -types-python-dateutil==2.9.0.20250708 - # via arrow -typing-extensions==4.14.1 - # via - # aiosqlite - # anyio - # beautifulsoup4 +typing-extensions==4.15.0 + # via # dash # emmet-core # mp-api @@ -547,36 +301,18 @@ tzdata==2025.2 # via pandas uncertainties==3.2.3 # via pymatgen -uri-template==1.3.0 - # via jsonschema urllib3==2.5.0 # via # botocore # requests -wcwidth==0.2.13 - # via prompt-toolkit webcolors==24.11.1 - # via - # crystal_toolkit (pyproject.toml) - # jsonschema -webencodings==0.5.1 - # via - # bleach - # tinycss2 -websocket-client==1.8.0 - # via jupyter-server + # via crystal_toolkit (pyproject.toml) werkzeug==3.1.3 # via # dash # flask -wrapt==1.17.2 +wrapt==1.17.3 # via smart-open -y-py==0.6.2 - # via - # jupyter-ydoc - # ypy-websocket -ypy-websocket==0.8.4 - # via jupyter-server-ydoc 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 0fddebc2..cf934fe3 100644 --- a/requirements/ubuntu-latest_py3.12_extras.txt +++ b/requirements/ubuntu-latest_py3.12_extras.txt @@ -8,7 +8,7 @@ aiofiles==22.1.0 # via ypy-websocket aiohappyeyeballs==2.6.1 # via aiohttp -aiohttp==3.12.14 +aiohttp==3.12.15 # via dephell aioitertools==0.12.0 # via maggma @@ -20,7 +20,7 @@ alabaster==1.0.0 # via sphinx annotated-types==0.7.0 # via pydantic -anyio==4.9.0 +anyio==4.10.0 # via # httpx # jupyter-server @@ -28,11 +28,11 @@ argon2-cffi==25.1.0 # via # jupyter-server # notebook -argon2-cffi-bindings==21.2.0 +argon2-cffi-bindings==25.1.0 # via argon2-cffi arrow==1.3.0 # via isoduration -ase==3.25.0 +ase==3.26.0 # via # boltztrap2 # dscribe @@ -60,7 +60,7 @@ babel==2.17.0 # sphinx bcrypt==4.3.0 # via paramiko -beautifulsoup4==4.13.4 +beautifulsoup4==4.13.5 # via # dash # gdown @@ -75,9 +75,9 @@ blinker==1.9.0 # via flask boltztrap2==25.3.1 # via ifermi -boto3==1.39.14 +boto3==1.40.31 # via maggma -botocore==1.39.14 +botocore==1.40.31 # via # boto3 # s3transfer @@ -85,14 +85,14 @@ cachelib==0.13.0 # via flask-caching cerberus==1.3.7 # via dephell -certifi==2025.7.14 +certifi==2025.8.3 # via # dephell # httpcore # httpx # netcdf4 # requests -cffi==1.17.1 +cffi==2.0.0 # via # argon2-cffi-bindings # cryptography @@ -101,9 +101,9 @@ cfgv==3.4.0 # via pre-commit cftime==1.6.4.post1 # via netcdf4 -charset-normalizer==3.4.2 +charset-normalizer==3.4.3 # via requests -choreographer==1.0.9 +choreographer==1.0.10 # via kaleido click==8.2.1 # via @@ -124,9 +124,9 @@ commonmark==0.9.1 # via recommonmark contourpy==1.3.3 # via matplotlib -coverage[toml]==7.10.1 +coverage[toml]==7.10.6 # via pytest-cov -cryptography==45.0.5 +cryptography==45.0.7 # via # dash # paramiko @@ -134,9 +134,9 @@ crystaltoolkit-extension==0.6.0 # via crystal_toolkit (pyproject.toml) cycler==0.12.1 # via matplotlib -cython==3.1.2 +cython==3.1.3 # via boltztrap2 -dash[testing]==3.1.1 +dash[testing]==3.2.0 # via # crystal_toolkit (pyproject.toml) # dash-extensions @@ -149,13 +149,13 @@ dash-testing-stub==0.0.2 # via dash dash-vtk==0.0.9 # via crystal_toolkit (pyproject.toml) -dask==2025.7.0 +dask==2025.9.0 # via # distributed # py4dstem dataclass-wizard==0.35.1 # via dash-extensions -debugpy==1.8.15 +debugpy==1.8.16 # via ipykernel decorator==5.2.1 # via ipython @@ -200,9 +200,9 @@ dill==0.4.0 # py4dstem distlib==0.4.0 # via virtualenv -distributed==2025.7.0 +distributed==2025.9.0 # via py4dstem -dnspython==2.7.0 +dnspython==2.8.0 # via # maggma # pymongo @@ -218,19 +218,19 @@ editorconfig==0.17.1 # via jsbeautifier emdfile==0.0.16 # via py4dstem -emmet-core==0.84.9rc0 +emmet-core==0.84.10rc2 # via mp-api entrypoints==0.4 # via jupyter-client -executing==2.2.0 +executing==2.2.1 # via stack-data -fastjsonschema==2.21.1 +fastjsonschema==2.21.2 # via nbformat -filelock==3.18.0 +filelock==3.19.1 # via # gdown # virtualenv -flask==3.1.1 +flask==3.1.2 # via # dash # flask-caching @@ -238,7 +238,7 @@ flask-caching==2.3.1 # via # crystal_toolkit (pyproject.toml) # dash-extensions -fonttools==4.59.0 +fonttools==4.59.2 # via matplotlib fqdn==1.5.1 # via jsonschema @@ -248,13 +248,13 @@ frozenlist==1.7.0 # via # aiohttp # aiosignal -fsspec==2025.7.0 +fsspec==2025.9.0 # via dask gdown==5.2.0 # via py4dstem -gevent==25.5.1 +gevent==25.8.2 # via gunicorn -greenlet==3.2.3 +greenlet==3.2.4 # via # gevent # playwright @@ -274,13 +274,13 @@ habanero==2.3.0 # via crystal_toolkit (pyproject.toml) hdf5plugin==5.1.0 # via py4dstem -hiphive==1.4 +hiphive==1.5 # via crystal_toolkit (pyproject.toml) httpcore==1.0.9 # via httpx httpx==0.28.1 # via habanero -identify==2.6.12 +identify==2.6.14 # via pre-commit idna==3.10 # via @@ -301,11 +301,13 @@ inflect==7.5.0 # via robocrys iniconfig==2.1.0 # via pytest +invoke==2.2.0 + # via paramiko ipykernel==6.29.5 # via # nbclassic # notebook -ipython==9.4.0 +ipython==9.5.0 # via # ipykernel # jupyterlab @@ -337,7 +339,7 @@ jmespath==1.0.1 # via # boto3 # botocore -joblib==1.5.1 +joblib==1.5.2 # via # dscribe # pymatgen @@ -345,19 +347,19 @@ joblib==1.5.1 # scikit-optimize jsbeautifier==1.15.4 # via dash-extensions -json5==0.12.0 +json5==0.12.1 # via jupyterlab-server jsonlines==4.0.0 # via maggma jsonpointer==3.0.0 # via jsonschema -jsonschema[format-nongpl]==4.25.0 +jsonschema[format-nongpl]==4.25.1 # via # jupyter-events # jupyterlab-server # maggma # nbformat -jsonschema-specifications==2025.4.1 +jsonschema-specifications==2025.9.1 # via jsonschema jupyter-client==7.4.9 # via @@ -379,7 +381,7 @@ jupyter-events==0.12.0 # via # jupyter-server # jupyter-server-fileid -jupyter-server==2.16.0 +jupyter-server==2.17.0 # via # jupyter-server-fileid # jupyterlab @@ -401,9 +403,9 @@ jupyterlab-pygments==0.3.0 # via nbconvert jupyterlab-server==2.27.3 # via jupyterlab -kaleido==1.0.0 +kaleido==1.1.0 # via crystal_toolkit (pyproject.toml) -kiwisolver==1.4.8 +kiwisolver==1.4.9 # via matplotlib lark==1.2.2 # via rfc3987-syntax @@ -421,11 +423,11 @@ logistro==1.1.0 # via # choreographer # kaleido -lxml==6.0.0 +lxml==6.0.1 # via dash m2r==0.2.1 # via dephell -maggma==0.71.5 +maggma==0.72.0 # via mp-api markupsafe==3.0.2 # via @@ -435,7 +437,7 @@ markupsafe==3.0.2 # werkzeug matminer==0.9.3 # via robocrys -matplotlib==3.10.3 +matplotlib==3.10.6 # via # ase # boltztrap2 @@ -451,7 +453,7 @@ matplotlib-inline==0.1.7 # ipython meshcut==0.3.0 # via ifermi -mistune==3.1.3 +mistune==3.1.4 # via # m2r # nbconvert @@ -466,11 +468,11 @@ monty==2025.3.3 # mp-api # pymatgen # robocrys -more-itertools==10.7.0 +more-itertools==10.8.0 # via # dash-extensions # inflect -mp-api==0.45.7 +mp-api==0.45.9 # via crystal_toolkit (pyproject.toml) mpire==2.10.2 # via py4dstem @@ -481,7 +483,7 @@ msgpack==1.1.1 # distributed # maggma # mp-api -multidict==6.6.3 +multidict==6.6.4 # via # aiohttp # yarl @@ -489,9 +491,9 @@ multiprocess==0.70.18 # via dash mypy-extensions==1.1.0 # via black -narwhals==2.0.0 +narwhals==2.5.0 # via plotly -nbclassic==1.3.1 +nbclassic==1.3.2 # via # jupyterlab # notebook @@ -562,6 +564,7 @@ numpy==1.26.4 # pyfftw # pylops # pymatgen + # pymatgen-io-validation # robocrys # scikit-image # scikit-learn @@ -576,13 +579,11 @@ numpy==1.26.4 # trimesh numpy-stl==3.2.0 # via meshcut -orjson==3.11.1 +orjson==3.11.3 # via # kaleido # maggma # pymatgen -overrides==7.7.0 - # via jupyter-server packaging==25.0 # via # black @@ -612,7 +613,7 @@ packaging==25.0 # sphinx palettable==3.3.3 # via pymatgen -pandas==2.3.1 +pandas==2.3.2 # via # hiphive # maggma @@ -620,9 +621,9 @@ pandas==2.3.1 # pymatgen pandocfilters==1.5.1 # via nbconvert -paramiko==3.5.1 +paramiko==4.0.0 # via sshtunnel -parso==0.8.4 +parso==0.8.5 # via jedi partd==1.4.2 # via dask @@ -634,23 +635,23 @@ pexpect==4.9.0 # via # dephell-shells # ipython -phonopy==2.42.0 +phonopy==2.43.2 # via crystal_toolkit (pyproject.toml) pillow==11.3.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.3.8 +platformdirs==4.4.0 # via # black # jupyter-core # virtualenv -playwright==1.54.0 +playwright==1.55.0 # via # crystal_toolkit (pyproject.toml) # pytest-playwright -plotly==6.2.0 +plotly==6.3.0 # via # dash # ifermi @@ -659,13 +660,13 @@ pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.2.0 +pre-commit==4.3.0 # via crystal_toolkit (pyproject.toml) prometheus-client==0.22.1 # via # jupyter-server # notebook -prompt-toolkit==3.0.51 +prompt-toolkit==3.0.52 # via ipython propcache==0.3.2 # via @@ -681,7 +682,7 @@ ptyprocess==0.7.0 # via # pexpect # terminado -pubchempy==1.0.4 +pubchempy==1.0.5 # via robocrys pure-eval==0.2.3 # via stack-data @@ -693,14 +694,15 @@ pybtex==0.25.1 # via # emmet-core # robocrys -pycparser==2.22 +pycparser==2.23 # via cffi -pydantic==2.11.7 +pydantic==2.11.9 # via # dash-extensions # emmet-core # maggma # pydantic-settings + # pymatgen-io-validation pydantic-core==2.33.2 # via pydantic pydantic-settings==2.10.1 @@ -708,6 +710,7 @@ pydantic-settings==2.10.1 # crystal_toolkit (pyproject.toml) # emmet-core # maggma + # pymatgen-io-validation pydash==8.0.5 # via maggma pyee==13.0.0 @@ -733,32 +736,38 @@ pymatgen==2025.6.14 # ifermi # matminer # mp-api + # pymatgen-io-validation # robocrys +pymatgen-io-validation==0.1.1 + # via emmet-core pymongo==4.10.1 # via # maggma # matminer -pynacl==1.5.0 +pynacl==1.6.0 # via paramiko -pyparsing==3.2.3 +pyparsing==3.2.4 # via # bibtexparser # matplotlib pysocks==1.7.1 # via requests -pytest==8.4.1 +pytest==8.4.2 # via # crystal_toolkit (pyproject.toml) # dash # pytest-base-url # pytest-cov # pytest-playwright + # pytest-timeout pytest-base-url==2.1.0 # via pytest-playwright -pytest-cov==6.2.1 +pytest-cov==7.0.0 # via crystal_toolkit (pyproject.toml) -pytest-playwright==0.7.0 +pytest-playwright==0.7.1 # via crystal_toolkit (pyproject.toml) +pytest-timeout==2.4.0 + # via kaleido python-dateutil==2.9.0.post0 # via # arrow @@ -789,7 +798,7 @@ pyyaml==6.0.2 # pre-commit # pyaml # pybtex -pyzmq==27.0.0 +pyzmq==27.1.0 # via # ipykernel # jupyter-client @@ -798,14 +807,14 @@ pyzmq==27.0.0 # notebook recommonmark==0.7.1 # via crystal_toolkit (pyproject.toml) -redis==6.2.0 +redis==6.4.0 # via crystal_toolkit (pyproject.toml) referencing==0.36.2 # via # jsonschema # jsonschema-specifications # jupyter-events -requests[security,socks]==2.32.4 +requests[security,socks]==2.32.5 # via # dash # dephell @@ -818,9 +827,10 @@ requests[security,socks]==2.32.4 # mp-api # percy # pymatgen + # pymatgen-io-validation # pytest-base-url # sphinx -retrying==1.4.1 +retrying==1.4.2 # via dash rfc3339-validator==0.1.4 # via @@ -836,11 +846,11 @@ robocrys==0.2.11 # via crystal_toolkit (pyproject.toml) roman-numerals-py==3.1.0 # via sphinx -rpds-py==0.26.0 +rpds-py==0.27.1 # via # jsonschema # referencing -ruamel-yaml==0.18.14 +ruamel-yaml==0.18.15 # via # dephell # maggma @@ -849,7 +859,7 @@ ruamel-yaml==0.18.14 # robocrys ruamel-yaml-clib==0.2.12 # via ruamel-yaml -s3transfer==0.13.1 +s3transfer==0.14.0 # via boto3 scikit-image==0.25.2 # via @@ -860,14 +870,13 @@ scikit-learn==1.4.2 # via # crystal_toolkit (pyproject.toml) # dscribe - # hiphive # matminer # py4dstem # scikit-optimize # trainstation scikit-optimize==0.10.2 # via py4dstem -scipy==1.16.1 +scipy==1.16.2 # via # ase # boltztrap2 @@ -891,7 +900,7 @@ send2trash==1.8.3 # via # jupyter-server # notebook -sentinels==1.0.0 +sentinels==1.1.1 # via mongomock shapely==2.1.1 # via crystal_toolkit (pyproject.toml) @@ -904,7 +913,7 @@ six==1.17.0 # jsbeautifier # python-dateutil # rfc3339-validator -smart-open==7.3.0.post1 +smart-open==7.3.1 # via mp-api sniffio==1.3.1 # via anyio @@ -912,7 +921,7 @@ snowballstemmer==3.0.1 # via sphinx sortedcontainers==2.4.0 # via distributed -soupsieve==2.7 +soupsieve==2.8 # via beautifulsoup4 sparse==0.17.0 # via dscribe @@ -976,7 +985,7 @@ threadpoolctl==3.6.0 # via # py4dstem # scikit-learn -tifffile==2025.6.11 +tifffile==2025.9.9 # via scikit-image tinycss2==1.4.0 # via bleach @@ -987,7 +996,7 @@ toolz==1.0.0 # dask # distributed # partd -tornado==6.5.1 +tornado==6.5.2 # via # distributed # ipykernel @@ -1006,7 +1015,7 @@ tqdm==4.67.1 # mpire # py4dstem # pymatgen -trainstation==1.1 +trainstation==1.2 # via hiphive traitlets==5.14.3 # via @@ -1021,13 +1030,13 @@ traitlets==5.14.3 # nbconvert # nbformat # notebook -trimesh==4.7.1 +trimesh==4.8.1 # via ifermi typeguard==4.4.4 # via inflect -types-python-dateutil==2.9.0.20250708 +types-python-dateutil==2.9.0.20250822 # via arrow -typing-extensions==4.14.1 +typing-extensions==4.15.0 # via # aiosignal # aiosqlite @@ -1063,9 +1072,9 @@ urllib3==2.5.0 # habanero # requests # selenium -virtualenv==20.32.0 +virtualenv==20.34.0 # via pre-commit -vtk==9.5.0 +vtk==9.5.1 # via dash-vtk waitress==3.0.2 # via dash @@ -1085,7 +1094,7 @@ werkzeug==3.1.3 # via # dash # flask -wrapt==1.17.2 +wrapt==1.17.3 # via smart-open y-py==0.6.2 # via @@ -1101,9 +1110,9 @@ zict==3.0.0 # via distributed zipp==3.23.0 # via importlib-metadata -zope-event==5.1.1 +zope-event==6.0 # via gevent -zope-interface==7.2 +zope-interface==8.0 # via gevent # The following packages are considered to be unsafe in a requirements file: