diff --git a/requirements/ubuntu-latest_py3.11.txt b/requirements/ubuntu-latest_py3.11.txt index 7d4883d8..c76b6145 100644 --- a/requirements/ubuntu-latest_py3.11.txt +++ b/requirements/ubuntu-latest_py3.11.txt @@ -9,24 +9,24 @@ annotated-types==0.7.0 asttokens==3.0.1 # via stack-data bibtexparser==1.4.4 - # via pymatgen + # via pymatgen-core blake3==1.0.8 # via emmet-core blinker==1.9.0 # via flask -boto3==1.42.68 +boto3==1.42.95 # via mp-api -botocore==1.42.68 +botocore==1.42.95 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -certifi==2026.2.25 +certifi==2026.4.22 # via requests -charset-normalizer==3.4.5 +charset-normalizer==3.4.7 # via requests -click==8.3.1 +click==8.3.3 # via flask contourpy==1.3.3 # via matplotlib @@ -34,7 +34,7 @@ cycler==0.12.1 # via matplotlib dash==3.4.0 # via crystal_toolkit (pyproject.toml) -dash-mp-components==0.5.1rc5 +dash-mp-components==0.5.1rc9 # via crystal_toolkit (pyproject.toml) decorator==5.2.1 # via ipython @@ -46,19 +46,19 @@ flask==3.1.3 # via # dash # flask-caching -flask-caching==2.3.1 +flask-caching==2.4.0 # via crystal_toolkit (pyproject.toml) fonttools==4.62.1 # via matplotlib frozendict==2.4.7 # via crystal_toolkit (pyproject.toml) -idna==3.11 +idna==3.13 # via requests imageio==2.37.3 # via scikit-image -importlib-metadata==8.7.1 +importlib-metadata==9.0.0 # via dash -ipython==9.10.0 +ipython==9.13.0 # via crystal_toolkit (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -74,7 +74,7 @@ jmespath==1.1.0 # botocore joblib==1.5.3 # via - # pymatgen + # pymatgen-core # scikit-learn kiwisolver==1.5.0 # via matplotlib @@ -82,40 +82,42 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image +lxml==6.1.0 + # via pymatgen-core markupsafe==3.0.3 # via # flask # jinja2 # werkzeug -matplotlib==3.10.8 - # via pymatgen +matplotlib==3.10.9 + # via pymatgen-core matplotlib-inline==0.2.1 # via ipython monty==2026.2.18 # via # emmet-core # mp-api - # pymatgen + # pymatgen-core mp-api==0.46.0 # via crystal_toolkit (pyproject.toml) mpmath==1.3.0 # via sympy -narwhals==2.18.0 +narwhals==2.20.0 # via plotly nest-asyncio==1.6.0 # via dash networkx==3.6.1 # via - # pymatgen + # pymatgen-core # scikit-image -numpy==2.4.3 +numpy==2.4.4 # via # contourpy # imageio # matplotlib # monty # pandas - # pymatgen + # pymatgen-core # pymatgen-io-validation # scikit-image # scikit-learn @@ -123,63 +125,67 @@ numpy==2.4.3 # shapely # spglib # tifffile -orjson==3.11.7 +orjson==3.11.8 # via # mp-api - # pymatgen -packaging==26.0 + # pymatgen-core +packaging==26.1 # via # lazy-loader # matplotlib # plotly # scikit-image palettable==3.3.3 - # via pymatgen -pandas==3.0.1 - # via pymatgen + # via pymatgen-core +pandas==3.0.2 + # via pymatgen-core parso==0.8.6 # via jedi pexpect==4.9.0 # via ipython -pillow==12.1.1 +pillow==12.2.0 # via # imageio # matplotlib # scikit-image -plotly==6.6.0 +plotly==6.7.0 # via # dash - # pymatgen + # pymatgen-core prompt-toolkit==3.0.52 # via ipython +psutil==7.2.2 + # via ipython ptyprocess==0.7.0 # via pexpect pure-eval==0.2.3 # via stack-data -pybtex==0.25.1 +pybtex==0.26.1 # via emmet-core -pydantic==2.12.5 +pydantic==2.13.3 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.5 +pydantic-core==2.46.3 # via pydantic -pydantic-settings==2.13.1 +pydantic-settings==2.14.0 # via # crystal_toolkit (pyproject.toml) # emmet-core # pymatgen-io-validation -pygments==2.19.2 +pygments==2.20.0 # via # ipython # ipython-pygments-lexers -pymatgen==2025.10.7 +pymatgen==2026.3.23 # via # crystal_toolkit (pyproject.toml) # emmet-core # mp-api # pymatgen-io-validation +pymatgen-core==2026.4.16 + # via pymatgen pymatgen-io-validation==0.1.2 # via emmet-core pyparsing==3.3.2 @@ -195,19 +201,17 @@ python-dotenv==1.2.2 # via pydantic-settings pyyaml==6.0.3 # via pybtex -requests==2.32.5 +requests==2.33.1 # via # dash # mp-api - # pymatgen + # pymatgen-core # pymatgen-io-validation retrying==1.4.2 # via dash ruamel-yaml==0.19.1 - # via - # monty - # pymatgen -s3transfer==0.16.0 + # via monty +s3transfer==0.16.1 # via boto3 scikit-image==0.26.0 # via crystal_toolkit (pyproject.toml) @@ -215,7 +219,7 @@ scikit-learn==1.8.0 # via crystal_toolkit (pyproject.toml) scipy==1.17.1 # via - # pymatgen + # pymatgen-core # scikit-image # scikit-learn shapely==2.1.2 @@ -223,19 +227,19 @@ shapely==2.1.2 six==1.17.0 # via python-dateutil spglib==2.7.0 - # via pymatgen + # via pymatgen-core stack-data==0.6.3 # via ipython sympy==1.14.0 - # via pymatgen + # via pymatgen-core tabulate==0.10.0 - # via pymatgen + # via pymatgen-core threadpoolctl==3.6.0 # via scikit-learn tifffile==2026.3.3 # via scikit-image tqdm==4.67.3 - # via pymatgen + # via pymatgen-core traitlets==5.14.3 # via # ipython @@ -256,7 +260,7 @@ typing-inspection==0.4.2 # pydantic # pydantic-settings uncertainties==3.2.3 - # via pymatgen + # via pymatgen-core urllib3==2.6.3 # via # botocore @@ -265,11 +269,11 @@ wcwidth==0.6.0 # via prompt-toolkit webcolors==25.10.0 # via crystal_toolkit (pyproject.toml) -werkzeug==3.1.6 +werkzeug==3.1.8 # via # dash # flask -zipp==3.23.0 +zipp==3.23.1 # via importlib-metadata # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/ubuntu-latest_py3.11_extras.txt b/requirements/ubuntu-latest_py3.11_extras.txt index d31843fa..faafdf02 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==3.13.3 +aiohttp==3.13.5 # via dephell aiosignal==1.4.0 # via aiohttp @@ -18,7 +18,7 @@ alabaster==1.0.0 # via sphinx annotated-types==0.7.0 # via pydantic -anyio==4.12.1 +anyio==4.13.0 # via jupyter-server argon2-cffi==25.1.0 # via @@ -28,14 +28,14 @@ argon2-cffi-bindings==25.1.0 # via argon2-cffi arrow==1.4.0 # via isoduration -ase==3.27.0 +ase==3.28.0 # via # boltztrap2 # dscribe # hiphive asttokens==3.0.1 # via stack-data -attrs==25.4.0 +attrs==26.1.0 # via # aiohttp # dephell @@ -59,7 +59,7 @@ beautifulsoup4==4.14.3 # gdown # nbconvert bibtexparser==1.4.4 - # via pymatgen + # via pymatgen-core black==26.3.1 # via crystal_toolkit (pyproject.toml) blake3==1.0.8 @@ -72,9 +72,9 @@ boltztrap2==25.3.1 # via # crystal_toolkit (pyproject.toml) # ifermi -boto3==1.42.68 +boto3==1.42.95 # via mp-api -botocore==1.42.68 +botocore==1.42.95 # via # boto3 # s3transfer @@ -82,7 +82,7 @@ cachelib==0.13.0 # via flask-caching cerberus==1.3.8 # via dephell -certifi==2026.2.25 +certifi==2026.4.22 # via # dephell # netcdf4 @@ -95,11 +95,11 @@ cfgv==3.5.0 # via pre-commit cftime==1.6.5 # via netcdf4 -charset-normalizer==3.4.5 +charset-normalizer==3.4.7 # via requests choreographer==1.2.1 # via kaleido -click==8.3.1 +click==8.3.3 # via # black # dask @@ -118,9 +118,9 @@ commonmark==0.9.1 # via recommonmark contourpy==1.3.3 # via matplotlib -coverage[toml]==7.13.4 +coverage[toml]==7.13.5 # via pytest-cov -cryptography==46.0.5 +cryptography==46.0.7 # via dash crystaltoolkit-extension==0.6.0 # via crystal_toolkit (pyproject.toml) @@ -135,13 +135,13 @@ dash[testing]==3.4.0 # dash-vtk dash-extensions==2.0.5 # via crystal_toolkit (pyproject.toml) -dash-mp-components==0.5.1rc5 +dash-mp-components==0.5.1rc9 # via crystal_toolkit (pyproject.toml) dash-testing-stub==0.0.2 # via dash dash-vtk==0.0.9 # via crystal_toolkit (pyproject.toml) -dask==2026.1.2 +dask==2026.3.0 # via # distributed # py4dstem @@ -192,7 +192,7 @@ dill==0.4.1 # py4dstem distlib==0.4.0 # via virtualenv -distributed==2026.1.2 +distributed==2026.3.0 # via py4dstem dnspython==2.8.0 # via pymongo @@ -216,7 +216,7 @@ executing==2.2.1 # via stack-data fastjsonschema==2.21.2 # via nbformat -filelock==3.25.2 +filelock==3.29.0 # via # gdown # python-discovery @@ -225,7 +225,7 @@ flask==3.1.3 # via # dash # flask-caching -flask-caching==2.3.1 +flask-caching==2.4.0 # via # crystal_toolkit (pyproject.toml) # dash-extensions @@ -239,17 +239,17 @@ frozenlist==1.8.0 # via # aiohttp # aiosignal -fsspec==2026.2.0 +fsspec==2026.3.0 # via dask -gdown==5.2.1 +gdown==6.0.0 # via py4dstem -gevent==25.9.1 +gevent==26.4.0 # via gunicorn -greenlet==3.3.2 +greenlet==3.4.0 # via # gevent # playwright -gunicorn[gevent]==25.1.0 +gunicorn[gevent]==25.3.0 # via crystal_toolkit (pyproject.toml) h5py==3.16.0 # via @@ -265,9 +265,9 @@ hdf5plugin==6.0.0 # via py4dstem hiphive==1.5 # via crystal_toolkit (pyproject.toml) -identify==2.6.17 +identify==2.6.19 # via pre-commit -idna==3.11 +idna==3.13 # via # anyio # jsonschema @@ -279,7 +279,7 @@ imageio==2.37.3 # via scikit-image imagesize==2.0.0 # via sphinx -importlib-metadata==8.7.1 +importlib-metadata==9.0.0 # via # dash # dask @@ -291,7 +291,7 @@ ipykernel==6.29.5 # via # nbclassic # notebook -ipython==9.10.0 +ipython==9.13.0 # via # crystal_toolkit (pyproject.toml) # ipykernel @@ -327,14 +327,14 @@ jmespath==1.1.0 joblib==1.5.3 # via # dscribe - # pymatgen + # pymatgen-core # scikit-learn # scikit-optimize jsbeautifier==1.15.4 # via dash-extensions -json5==0.13.0 +json5==0.14.0 # via jupyterlab-server -jsonpointer==3.0.0 +jsonpointer==3.1.1 # via jsonschema jsonschema[format-nongpl]==4.26.0 # via @@ -359,7 +359,7 @@ jupyter-core==5.9.1 # nbconvert # nbformat # notebook -jupyter-events==0.12.0 +jupyter-events==0.12.1 # via # jupyter-server # jupyter-server-fileid @@ -395,7 +395,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image -llvmlite==0.46.0 +llvmlite==0.47.0 # via numba locket==1.0.0 # via @@ -405,8 +405,10 @@ logistro==2.0.1 # via # choreographer # kaleido -lxml==6.0.2 - # via dash +lxml==6.1.0 + # via + # dash + # pymatgen-core m2r==0.2.1 # via dephell markupsafe==3.0.3 @@ -415,9 +417,9 @@ markupsafe==3.0.3 # jinja2 # nbconvert # werkzeug -matminer==0.10.0 +matminer==0.10.1 # via robocrys -matplotlib==3.10.8 +matplotlib==3.10.9 # via # ase # boltztrap2 @@ -425,7 +427,7 @@ matplotlib==3.10.8 # ncempy # phonopy # py4dstem - # pymatgen + # pymatgen-core # vtk matplotlib-inline==0.2.1 # via @@ -443,9 +445,9 @@ monty==2026.2.18 # ifermi # matminer # mp-api - # pymatgen + # pymatgen-core # robocrys -more-itertools==10.8.0 +more-itertools==11.0.2 # via # dash-extensions # inflect @@ -465,7 +467,7 @@ multiprocess==0.70.19 # via dash mypy-extensions==1.1.0 # via black -narwhals==2.18.0 +narwhals==2.20.0 # via plotly nbclassic==1.3.3 # via @@ -473,7 +475,7 @@ nbclassic==1.3.3 # notebook nbclient==0.10.4 # via nbconvert -nbconvert==7.17.0 +nbconvert==7.17.1 # via # jupyter-server # notebook @@ -497,7 +499,7 @@ netcdf4==1.7.4 networkx==3.6.1 # via # ifermi - # pymatgen + # pymatgen-core # robocrys # scikit-image nodeenv==1.10.0 @@ -506,7 +508,7 @@ notebook==6.5.7 # via jupyterlab notebook-shim==0.2.4 # via nbclassic -numba==0.64.0 +numba==0.65.1 # via # hiphive # sparse @@ -536,7 +538,7 @@ numpy==1.26.4 # py4dstem # pyfftw # pylops - # pymatgen + # pymatgen-core # pymatgen-io-validation # robocrys # scikit-image @@ -552,14 +554,14 @@ numpy==1.26.4 # trimesh numpy-stl==3.2.0 # via meshcut -orjson==3.11.7 +orjson==3.11.8 # via # kaleido # mp-api - # pymatgen + # pymatgen-core overrides==7.7.0 # via jupyter-server -packaging==26.0 +packaging==26.1 # via # black # dask @@ -585,19 +587,19 @@ packaging==26.0 # scikit-optimize # sphinx palettable==3.3.3 - # via pymatgen + # via pymatgen-core pandas==2.3.3 # via # hiphive # matminer - # pymatgen + # pymatgen-core pandocfilters==1.5.1 # via nbconvert parso==0.8.6 # via jedi partd==1.4.2 # via dask -pathspec==1.0.4 +pathspec==1.1.0 # via black percy==2.0.2 # via dash @@ -605,14 +607,14 @@ pexpect==4.9.0 # via # dephell-shells # ipython -phonopy==3.1.0 +phonopy==3.5.1 # via crystal_toolkit (pyproject.toml) -pillow==12.1.1 +pillow==12.2.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.9.4 +platformdirs==4.9.6 # via # black # jupyter-core @@ -622,18 +624,18 @@ playwright==1.58.0 # via # crystal_toolkit (pyproject.toml) # pytest-playwright -plotly==6.6.0 +plotly==6.7.0 # via # dash # ifermi - # pymatgen + # pymatgen-core pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.5.1 +pre-commit==4.6.0 # via crystal_toolkit (pyproject.toml) -prometheus-client==0.24.1 +prometheus-client==0.25.0 # via # jupyter-server # notebook @@ -649,6 +651,7 @@ psutil==7.2.2 # distributed # ifermi # ipykernel + # ipython ptyprocess==0.7.0 # via # pexpect @@ -661,21 +664,21 @@ py4dstem==0.14.18 # via crystal_toolkit (pyproject.toml) pyaml==26.2.1 # via scikit-optimize -pybtex==0.25.1 +pybtex==0.26.1 # via # emmet-core # robocrys pycparser==3.0 # via cffi -pydantic==2.12.5 +pydantic==2.13.3 # via # dash-extensions # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.5 +pydantic-core==2.46.3 # via pydantic -pydantic-settings==2.13.1 +pydantic-settings==2.14.0 # via # crystal_toolkit (pyproject.toml) # emmet-core @@ -686,7 +689,7 @@ pyfftw==0.15.1 # via # crystal_toolkit (pyproject.toml) # ifermi -pygments==2.19.2 +pygments==2.20.0 # via # ipython # ipython-pygments-lexers @@ -696,7 +699,7 @@ pygments==2.19.2 # sphinx pylops==2.6.0 # via py4dstem -pymatgen==2025.10.7 +pymatgen==2026.3.23 # via # crystal_toolkit (pyproject.toml) # emmet-core @@ -705,9 +708,11 @@ pymatgen==2025.10.7 # mp-api # pymatgen-io-validation # robocrys +pymatgen-core==2026.4.16 + # via pymatgen pymatgen-io-validation==0.1.2 # via emmet-core -pymongo==4.16.0 +pymongo==4.17.0 # via matminer pyparsing==3.3.2 # via @@ -715,7 +720,7 @@ pyparsing==3.3.2 # matplotlib pysocks==1.7.1 # via requests -pytest==9.0.2 +pytest==9.0.3 # via # crystal_toolkit (pyproject.toml) # dash @@ -725,7 +730,7 @@ pytest==9.0.2 # pytest-timeout pytest-base-url==2.1.0 # via pytest-playwright -pytest-cov==7.0.0 +pytest-cov==7.1.0 # via crystal_toolkit (pyproject.toml) pytest-playwright==0.7.2 # via crystal_toolkit (pyproject.toml) @@ -738,11 +743,11 @@ python-dateutil==2.9.0.post0 # jupyter-client # matplotlib # pandas -python-discovery==1.1.3 +python-discovery==1.2.2 # via virtualenv python-dotenv==1.2.2 # via pydantic-settings -python-json-logger==4.0.0 +python-json-logger==4.1.0 # via jupyter-events python-slugify==8.0.4 # via pytest-playwright @@ -770,14 +775,14 @@ pyzmq==27.1.0 # notebook recommonmark==0.7.1 # via crystal_toolkit (pyproject.toml) -redis==7.3.0 +redis==7.4.0 # via crystal_toolkit (pyproject.toml) referencing==0.37.0 # via # jsonschema # jsonschema-specifications # jupyter-events -requests[security,socks]==2.32.5 +requests[security,socks]==2.33.1 # via # dash # dephell @@ -790,7 +795,7 @@ requests[security,socks]==2.32.5 # matminer # mp-api # percy - # pymatgen + # pymatgen-core # pymatgen-io-validation # pytest-base-url # sphinx @@ -818,8 +823,7 @@ ruamel-yaml==0.19.1 # via # dephell # monty - # pymatgen -s3transfer==0.16.0 +s3transfer==0.16.1 # via boto3 scikit-image==0.26.0 # via @@ -848,7 +852,7 @@ scipy==1.17.1 # ncempy # py4dstem # pylops - # pymatgen + # pymatgen-core # robocrys # scikit-image # scikit-learn @@ -867,7 +871,7 @@ shapely==2.1.2 # via crystal_toolkit (pyproject.toml) shellingham==1.5.4 # via dephell-shells -simplejson==3.20.2 +simplejson==4.1.0 # via choreographer six==1.17.0 # via @@ -888,7 +892,7 @@ spglib==2.7.0 # hiphive # ifermi # phonopy - # pymatgen + # pymatgen-core # robocrys # symfc sphinx==9.0.4 @@ -914,17 +918,17 @@ sphinxcontrib-serializinghtml==2.0.0 # via sphinx stack-data==0.6.3 # via ipython -symfc==1.6.1 +symfc==1.7.0 # via phonopy sympy==1.14.0 # via # hiphive # matminer - # pymatgen + # pymatgen-core tabulate==0.10.0 # via # ifermi - # pymatgen + # pymatgen-core tblib==3.2.2 # via distributed termcolor==3.3.0 @@ -968,7 +972,7 @@ tqdm==4.67.3 # matminer # mpire # py4dstem - # pymatgen + # pymatgen-core trainstation==1.2 # via hiphive traitlets==5.14.3 @@ -984,7 +988,7 @@ traitlets==5.14.3 # nbconvert # nbformat # notebook -trimesh==4.11.3 +trimesh==4.12.0 # via ifermi typeguard==4.5.1 # via inflect @@ -997,6 +1001,7 @@ typing-extensions==4.15.0 # dash # dataclass-wizard # emmet-core + # gdown # ipython # mp-api # pydantic @@ -1011,12 +1016,12 @@ typing-inspection==0.4.2 # via # pydantic # pydantic-settings -tzdata==2025.3 +tzdata==2026.2 # via # arrow # pandas uncertainties==3.2.3 - # via pymatgen + # via pymatgen-core uri-template==1.3.0 # via jsonschema urllib3==1.26.20 @@ -1026,9 +1031,9 @@ urllib3==1.26.20 # distributed # requests # selenium -virtualenv==21.2.0 +virtualenv==21.2.4 # via pre-commit -vtk==9.6.0 +vtk==9.6.1 # via dash-vtk waitress==3.0.2 # via dash @@ -1044,7 +1049,7 @@ webencodings==0.5.1 # tinycss2 websocket-client==1.9.0 # via jupyter-server -werkzeug==3.1.6 +werkzeug==3.1.8 # via # dash # flask @@ -1060,11 +1065,11 @@ ypy-websocket==0.8.4 # via jupyter-server-ydoc zict==3.0.0 # via distributed -zipp==3.23.0 +zipp==3.23.1 # via importlib-metadata zope-event==6.1 # via gevent -zope-interface==8.2 +zope-interface==8.3 # 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 83446f99..2441ead5 100644 --- a/requirements/ubuntu-latest_py3.12.txt +++ b/requirements/ubuntu-latest_py3.12.txt @@ -9,24 +9,24 @@ annotated-types==0.7.0 asttokens==3.0.1 # via stack-data bibtexparser==1.4.4 - # via pymatgen + # via pymatgen-core blake3==1.0.8 # via emmet-core blinker==1.9.0 # via flask -boto3==1.42.68 +boto3==1.42.95 # via mp-api -botocore==1.42.68 +botocore==1.42.95 # via # boto3 # s3transfer cachelib==0.13.0 # via flask-caching -certifi==2026.2.25 +certifi==2026.4.22 # via requests -charset-normalizer==3.4.5 +charset-normalizer==3.4.7 # via requests -click==8.3.1 +click==8.3.3 # via flask contourpy==1.3.3 # via matplotlib @@ -34,7 +34,7 @@ cycler==0.12.1 # via matplotlib dash==3.4.0 # via crystal_toolkit (pyproject.toml) -dash-mp-components==0.5.1rc5 +dash-mp-components==0.5.1rc9 # via crystal_toolkit (pyproject.toml) decorator==5.2.1 # via ipython @@ -46,19 +46,19 @@ flask==3.1.3 # via # dash # flask-caching -flask-caching==2.3.1 +flask-caching==2.4.0 # via crystal_toolkit (pyproject.toml) fonttools==4.62.1 # via matplotlib frozendict==2.4.7 # via crystal_toolkit (pyproject.toml) -idna==3.11 +idna==3.13 # via requests imageio==2.37.3 # via scikit-image -importlib-metadata==8.7.1 +importlib-metadata==9.0.0 # via dash -ipython==9.11.0 +ipython==9.13.0 # via crystal_toolkit (pyproject.toml) ipython-pygments-lexers==1.1.1 # via ipython @@ -74,7 +74,7 @@ jmespath==1.1.0 # botocore joblib==1.5.3 # via - # pymatgen + # pymatgen-core # scikit-learn kiwisolver==1.5.0 # via matplotlib @@ -82,40 +82,42 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image +lxml==6.1.0 + # via pymatgen-core markupsafe==3.0.3 # via # flask # jinja2 # werkzeug -matplotlib==3.10.8 - # via pymatgen +matplotlib==3.10.9 + # via pymatgen-core matplotlib-inline==0.2.1 # via ipython monty==2026.2.18 # via # emmet-core # mp-api - # pymatgen + # pymatgen-core mp-api==0.46.0 # via crystal_toolkit (pyproject.toml) mpmath==1.3.0 # via sympy -narwhals==2.18.0 +narwhals==2.20.0 # via plotly nest-asyncio==1.6.0 # via dash networkx==3.6.1 # via - # pymatgen + # pymatgen-core # scikit-image -numpy==2.4.3 +numpy==2.4.4 # via # contourpy # imageio # matplotlib # monty # pandas - # pymatgen + # pymatgen-core # pymatgen-io-validation # scikit-image # scikit-learn @@ -123,63 +125,67 @@ numpy==2.4.3 # shapely # spglib # tifffile -orjson==3.11.7 +orjson==3.11.8 # via # mp-api - # pymatgen -packaging==26.0 + # pymatgen-core +packaging==26.1 # via # lazy-loader # matplotlib # plotly # scikit-image palettable==3.3.3 - # via pymatgen -pandas==3.0.1 - # via pymatgen + # via pymatgen-core +pandas==3.0.2 + # via pymatgen-core parso==0.8.6 # via jedi pexpect==4.9.0 # via ipython -pillow==12.1.1 +pillow==12.2.0 # via # imageio # matplotlib # scikit-image -plotly==6.6.0 +plotly==6.7.0 # via # dash - # pymatgen + # pymatgen-core prompt-toolkit==3.0.52 # via ipython +psutil==7.2.2 + # via ipython ptyprocess==0.7.0 # via pexpect pure-eval==0.2.3 # via stack-data -pybtex==0.25.1 +pybtex==0.26.1 # via emmet-core -pydantic==2.12.5 +pydantic==2.13.3 # via # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.5 +pydantic-core==2.46.3 # via pydantic -pydantic-settings==2.13.1 +pydantic-settings==2.14.0 # via # crystal_toolkit (pyproject.toml) # emmet-core # pymatgen-io-validation -pygments==2.19.2 +pygments==2.20.0 # via # ipython # ipython-pygments-lexers -pymatgen==2025.10.7 +pymatgen==2026.3.23 # via # crystal_toolkit (pyproject.toml) # emmet-core # mp-api # pymatgen-io-validation +pymatgen-core==2026.4.16 + # via pymatgen pymatgen-io-validation==0.1.2 # via emmet-core pyparsing==3.3.2 @@ -195,19 +201,17 @@ python-dotenv==1.2.2 # via pydantic-settings pyyaml==6.0.3 # via pybtex -requests==2.32.5 +requests==2.33.1 # via # dash # mp-api - # pymatgen + # pymatgen-core # pymatgen-io-validation retrying==1.4.2 # via dash ruamel-yaml==0.19.1 - # via - # monty - # pymatgen -s3transfer==0.16.0 + # via monty +s3transfer==0.16.1 # via boto3 scikit-image==0.26.0 # via crystal_toolkit (pyproject.toml) @@ -215,7 +219,7 @@ scikit-learn==1.8.0 # via crystal_toolkit (pyproject.toml) scipy==1.17.1 # via - # pymatgen + # pymatgen-core # scikit-image # scikit-learn shapely==2.1.2 @@ -223,19 +227,19 @@ shapely==2.1.2 six==1.17.0 # via python-dateutil spglib==2.7.0 - # via pymatgen + # via pymatgen-core stack-data==0.6.3 # via ipython sympy==1.14.0 - # via pymatgen + # via pymatgen-core tabulate==0.10.0 - # via pymatgen + # via pymatgen-core threadpoolctl==3.6.0 # via scikit-learn -tifffile==2026.3.3 +tifffile==2026.4.11 # via scikit-image tqdm==4.67.3 - # via pymatgen + # via pymatgen-core traitlets==5.14.3 # via # ipython @@ -254,7 +258,7 @@ typing-inspection==0.4.2 # pydantic # pydantic-settings uncertainties==3.2.3 - # via pymatgen + # via pymatgen-core urllib3==2.6.3 # via # botocore @@ -263,11 +267,11 @@ wcwidth==0.6.0 # via prompt-toolkit webcolors==25.10.0 # via crystal_toolkit (pyproject.toml) -werkzeug==3.1.6 +werkzeug==3.1.8 # via # dash # flask -zipp==3.23.0 +zipp==3.23.1 # via importlib-metadata # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/ubuntu-latest_py3.12_extras.txt b/requirements/ubuntu-latest_py3.12_extras.txt index 3d28bbf3..5656f5f4 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==3.13.3 +aiohttp==3.13.5 # via dephell aiosignal==1.4.0 # via aiohttp @@ -18,7 +18,7 @@ alabaster==1.0.0 # via sphinx annotated-types==0.7.0 # via pydantic -anyio==4.12.1 +anyio==4.13.0 # via jupyter-server argon2-cffi==25.1.0 # via @@ -28,14 +28,14 @@ argon2-cffi-bindings==25.1.0 # via argon2-cffi arrow==1.4.0 # via isoduration -ase==3.27.0 +ase==3.28.0 # via # boltztrap2 # dscribe # hiphive asttokens==3.0.1 # via stack-data -attrs==25.4.0 +attrs==26.1.0 # via # aiohttp # dephell @@ -59,7 +59,7 @@ beautifulsoup4==4.14.3 # gdown # nbconvert bibtexparser==1.4.4 - # via pymatgen + # via pymatgen-core black==26.3.1 # via crystal_toolkit (pyproject.toml) blake3==1.0.8 @@ -72,9 +72,9 @@ boltztrap2==25.3.1 # via # crystal_toolkit (pyproject.toml) # ifermi -boto3==1.42.68 +boto3==1.42.95 # via mp-api -botocore==1.42.68 +botocore==1.42.95 # via # boto3 # s3transfer @@ -82,7 +82,7 @@ cachelib==0.13.0 # via flask-caching cerberus==1.3.8 # via dephell -certifi==2026.2.25 +certifi==2026.4.22 # via # dephell # netcdf4 @@ -95,11 +95,11 @@ cfgv==3.5.0 # via pre-commit cftime==1.6.5 # via netcdf4 -charset-normalizer==3.4.5 +charset-normalizer==3.4.7 # via requests choreographer==1.2.1 # via kaleido -click==8.3.1 +click==8.3.3 # via # black # dask @@ -118,9 +118,9 @@ commonmark==0.9.1 # via recommonmark contourpy==1.3.3 # via matplotlib -coverage[toml]==7.13.4 +coverage[toml]==7.13.5 # via pytest-cov -cryptography==46.0.5 +cryptography==46.0.7 # via dash crystaltoolkit-extension==0.6.0 # via crystal_toolkit (pyproject.toml) @@ -135,13 +135,13 @@ dash[testing]==3.4.0 # dash-vtk dash-extensions==2.0.5 # via crystal_toolkit (pyproject.toml) -dash-mp-components==0.5.1rc5 +dash-mp-components==0.5.1rc9 # via crystal_toolkit (pyproject.toml) dash-testing-stub==0.0.2 # via dash dash-vtk==0.0.9 # via crystal_toolkit (pyproject.toml) -dask==2026.1.2 +dask==2026.3.0 # via # distributed # py4dstem @@ -192,7 +192,7 @@ dill==0.4.1 # py4dstem distlib==0.4.0 # via virtualenv -distributed==2026.1.2 +distributed==2026.3.0 # via py4dstem dnspython==2.8.0 # via pymongo @@ -216,7 +216,7 @@ executing==2.2.1 # via stack-data fastjsonschema==2.21.2 # via nbformat -filelock==3.25.2 +filelock==3.29.0 # via # gdown # python-discovery @@ -225,7 +225,7 @@ flask==3.1.3 # via # dash # flask-caching -flask-caching==2.3.1 +flask-caching==2.4.0 # via # crystal_toolkit (pyproject.toml) # dash-extensions @@ -239,17 +239,17 @@ frozenlist==1.8.0 # via # aiohttp # aiosignal -fsspec==2026.2.0 +fsspec==2026.3.0 # via dask -gdown==5.2.1 +gdown==6.0.0 # via py4dstem -gevent==25.9.1 +gevent==26.4.0 # via gunicorn -greenlet==3.3.2 +greenlet==3.4.0 # via # gevent # playwright -gunicorn[gevent]==25.1.0 +gunicorn[gevent]==25.3.0 # via crystal_toolkit (pyproject.toml) h5py==3.16.0 # via @@ -265,9 +265,9 @@ hdf5plugin==6.0.0 # via py4dstem hiphive==1.5 # via crystal_toolkit (pyproject.toml) -identify==2.6.17 +identify==2.6.19 # via pre-commit -idna==3.11 +idna==3.13 # via # anyio # jsonschema @@ -279,7 +279,7 @@ imageio==2.37.3 # via scikit-image imagesize==2.0.0 # via sphinx -importlib-metadata==8.7.1 +importlib-metadata==9.0.0 # via dash inflect==7.5.0 # via robocrys @@ -289,7 +289,7 @@ ipykernel==6.29.5 # via # nbclassic # notebook -ipython==9.11.0 +ipython==9.13.0 # via # crystal_toolkit (pyproject.toml) # ipykernel @@ -325,14 +325,14 @@ jmespath==1.1.0 joblib==1.5.3 # via # dscribe - # pymatgen + # pymatgen-core # scikit-learn # scikit-optimize jsbeautifier==1.15.4 # via dash-extensions -json5==0.13.0 +json5==0.14.0 # via jupyterlab-server -jsonpointer==3.0.0 +jsonpointer==3.1.1 # via jsonschema jsonschema[format-nongpl]==4.26.0 # via @@ -357,7 +357,7 @@ jupyter-core==5.9.1 # nbconvert # nbformat # notebook -jupyter-events==0.12.0 +jupyter-events==0.12.1 # via # jupyter-server # jupyter-server-fileid @@ -393,7 +393,7 @@ latexcodec==3.0.1 # via pybtex lazy-loader==0.5 # via scikit-image -llvmlite==0.46.0 +llvmlite==0.47.0 # via numba locket==1.0.0 # via @@ -403,8 +403,10 @@ logistro==2.0.1 # via # choreographer # kaleido -lxml==6.0.2 - # via dash +lxml==6.1.0 + # via + # dash + # pymatgen-core m2r==0.2.1 # via dephell markupsafe==3.0.3 @@ -413,9 +415,9 @@ markupsafe==3.0.3 # jinja2 # nbconvert # werkzeug -matminer==0.10.0 +matminer==0.10.1 # via robocrys -matplotlib==3.10.8 +matplotlib==3.10.9 # via # ase # boltztrap2 @@ -423,7 +425,7 @@ matplotlib==3.10.8 # ncempy # phonopy # py4dstem - # pymatgen + # pymatgen-core # vtk matplotlib-inline==0.2.1 # via @@ -441,9 +443,9 @@ monty==2026.2.18 # ifermi # matminer # mp-api - # pymatgen + # pymatgen-core # robocrys -more-itertools==10.8.0 +more-itertools==11.0.2 # via # dash-extensions # inflect @@ -463,7 +465,7 @@ multiprocess==0.70.19 # via dash mypy-extensions==1.1.0 # via black -narwhals==2.18.0 +narwhals==2.20.0 # via plotly nbclassic==1.3.3 # via @@ -471,7 +473,7 @@ nbclassic==1.3.3 # notebook nbclient==0.10.4 # via nbconvert -nbconvert==7.17.0 +nbconvert==7.17.1 # via # jupyter-server # notebook @@ -495,7 +497,7 @@ netcdf4==1.7.4 networkx==3.6.1 # via # ifermi - # pymatgen + # pymatgen-core # robocrys # scikit-image nodeenv==1.10.0 @@ -504,7 +506,7 @@ notebook==6.5.7 # via jupyterlab notebook-shim==0.2.4 # via nbclassic -numba==0.64.0 +numba==0.65.1 # via # hiphive # sparse @@ -534,7 +536,7 @@ numpy==1.26.4 # py4dstem # pyfftw # pylops - # pymatgen + # pymatgen-core # pymatgen-io-validation # robocrys # scikit-image @@ -550,12 +552,12 @@ numpy==1.26.4 # trimesh numpy-stl==3.2.0 # via meshcut -orjson==3.11.7 +orjson==3.11.8 # via # kaleido # mp-api - # pymatgen -packaging==26.0 + # pymatgen-core +packaging==26.1 # via # black # dask @@ -581,19 +583,19 @@ packaging==26.0 # scikit-optimize # sphinx palettable==3.3.3 - # via pymatgen + # via pymatgen-core pandas==2.3.3 # via # hiphive # matminer - # pymatgen + # pymatgen-core pandocfilters==1.5.1 # via nbconvert parso==0.8.6 # via jedi partd==1.4.2 # via dask -pathspec==1.0.4 +pathspec==1.1.0 # via black percy==2.0.2 # via dash @@ -601,14 +603,14 @@ pexpect==4.9.0 # via # dephell-shells # ipython -phonopy==3.1.0 +phonopy==3.5.1 # via crystal_toolkit (pyproject.toml) -pillow==12.1.1 +pillow==12.2.0 # via # imageio # matplotlib # scikit-image -platformdirs==4.9.4 +platformdirs==4.9.6 # via # black # jupyter-core @@ -618,18 +620,18 @@ playwright==1.58.0 # via # crystal_toolkit (pyproject.toml) # pytest-playwright -plotly==6.6.0 +plotly==6.7.0 # via # dash # ifermi - # pymatgen + # pymatgen-core pluggy==1.6.0 # via # pytest # pytest-cov -pre-commit==4.5.1 +pre-commit==4.6.0 # via crystal_toolkit (pyproject.toml) -prometheus-client==0.24.1 +prometheus-client==0.25.0 # via # jupyter-server # notebook @@ -645,6 +647,7 @@ psutil==7.2.2 # distributed # ifermi # ipykernel + # ipython ptyprocess==0.7.0 # via # pexpect @@ -657,21 +660,21 @@ py4dstem==0.14.18 # via crystal_toolkit (pyproject.toml) pyaml==26.2.1 # via scikit-optimize -pybtex==0.25.1 +pybtex==0.26.1 # via # emmet-core # robocrys pycparser==3.0 # via cffi -pydantic==2.12.5 +pydantic==2.13.3 # via # dash-extensions # emmet-core # pydantic-settings # pymatgen-io-validation -pydantic-core==2.41.5 +pydantic-core==2.46.3 # via pydantic -pydantic-settings==2.13.1 +pydantic-settings==2.14.0 # via # crystal_toolkit (pyproject.toml) # emmet-core @@ -682,7 +685,7 @@ pyfftw==0.15.1 # via # crystal_toolkit (pyproject.toml) # ifermi -pygments==2.19.2 +pygments==2.20.0 # via # ipython # ipython-pygments-lexers @@ -692,7 +695,7 @@ pygments==2.19.2 # sphinx pylops==2.6.0 # via py4dstem -pymatgen==2025.10.7 +pymatgen==2026.3.23 # via # crystal_toolkit (pyproject.toml) # emmet-core @@ -701,9 +704,11 @@ pymatgen==2025.10.7 # mp-api # pymatgen-io-validation # robocrys +pymatgen-core==2026.4.16 + # via pymatgen pymatgen-io-validation==0.1.2 # via emmet-core -pymongo==4.16.0 +pymongo==4.17.0 # via matminer pyparsing==3.3.2 # via @@ -711,7 +716,7 @@ pyparsing==3.3.2 # matplotlib pysocks==1.7.1 # via requests -pytest==9.0.2 +pytest==9.0.3 # via # crystal_toolkit (pyproject.toml) # dash @@ -721,7 +726,7 @@ pytest==9.0.2 # pytest-timeout pytest-base-url==2.1.0 # via pytest-playwright -pytest-cov==7.0.0 +pytest-cov==7.1.0 # via crystal_toolkit (pyproject.toml) pytest-playwright==0.7.2 # via crystal_toolkit (pyproject.toml) @@ -734,11 +739,11 @@ python-dateutil==2.9.0.post0 # jupyter-client # matplotlib # pandas -python-discovery==1.1.3 +python-discovery==1.2.2 # via virtualenv python-dotenv==1.2.2 # via pydantic-settings -python-json-logger==4.0.0 +python-json-logger==4.1.0 # via jupyter-events python-slugify==8.0.4 # via pytest-playwright @@ -766,14 +771,14 @@ pyzmq==27.1.0 # notebook recommonmark==0.7.1 # via crystal_toolkit (pyproject.toml) -redis==7.3.0 +redis==7.4.0 # via crystal_toolkit (pyproject.toml) referencing==0.37.0 # via # jsonschema # jsonschema-specifications # jupyter-events -requests[security,socks]==2.32.5 +requests[security,socks]==2.33.1 # via # dash # dephell @@ -786,7 +791,7 @@ requests[security,socks]==2.32.5 # matminer # mp-api # percy - # pymatgen + # pymatgen-core # pymatgen-io-validation # pytest-base-url # sphinx @@ -814,8 +819,7 @@ ruamel-yaml==0.19.1 # via # dephell # monty - # pymatgen -s3transfer==0.16.0 +s3transfer==0.16.1 # via boto3 scikit-image==0.26.0 # via @@ -844,7 +848,7 @@ scipy==1.17.1 # ncempy # py4dstem # pylops - # pymatgen + # pymatgen-core # robocrys # scikit-image # scikit-learn @@ -863,7 +867,7 @@ shapely==2.1.2 # via crystal_toolkit (pyproject.toml) shellingham==1.5.4 # via dephell-shells -simplejson==3.20.2 +simplejson==4.1.0 # via choreographer six==1.17.0 # via @@ -884,7 +888,7 @@ spglib==2.7.0 # hiphive # ifermi # phonopy - # pymatgen + # pymatgen-core # robocrys # symfc sphinx==9.1.0 @@ -910,17 +914,17 @@ sphinxcontrib-serializinghtml==2.0.0 # via sphinx stack-data==0.6.3 # via ipython -symfc==1.6.1 +symfc==1.7.0 # via phonopy sympy==1.14.0 # via # hiphive # matminer - # pymatgen + # pymatgen-core tabulate==0.10.0 # via # ifermi - # pymatgen + # pymatgen-core tblib==3.2.2 # via distributed termcolor==3.3.0 @@ -964,7 +968,7 @@ tqdm==4.67.3 # matminer # mpire # py4dstem - # pymatgen + # pymatgen-core trainstation==1.2 # via hiphive traitlets==5.14.3 @@ -980,7 +984,7 @@ traitlets==5.14.3 # nbconvert # nbformat # notebook -trimesh==4.11.3 +trimesh==4.12.0 # via ifermi typeguard==4.5.1 # via inflect @@ -1005,12 +1009,12 @@ typing-inspection==0.4.2 # via # pydantic # pydantic-settings -tzdata==2025.3 +tzdata==2026.2 # via # arrow # pandas uncertainties==3.2.3 - # via pymatgen + # via pymatgen-core uri-template==1.3.0 # via jsonschema urllib3==1.26.20 @@ -1020,9 +1024,9 @@ urllib3==1.26.20 # distributed # requests # selenium -virtualenv==21.2.0 +virtualenv==21.2.4 # via pre-commit -vtk==9.6.0 +vtk==9.6.1 # via dash-vtk waitress==3.0.2 # via dash @@ -1038,7 +1042,7 @@ webencodings==0.5.1 # tinycss2 websocket-client==1.9.0 # via jupyter-server -werkzeug==3.1.6 +werkzeug==3.1.8 # via # dash # flask @@ -1054,11 +1058,11 @@ ypy-websocket==0.8.4 # via jupyter-server-ydoc zict==3.0.0 # via distributed -zipp==3.23.0 +zipp==3.23.1 # via importlib-metadata zope-event==6.1 # via gevent -zope-interface==8.2 +zope-interface==8.3 # via gevent # The following packages are considered to be unsafe in a requirements file: