diff --git a/emmet-core/requirements/ubuntu-latest_py3.11.txt b/emmet-core/requirements/ubuntu-latest_py3.11.txt index 85516b55e5..49429941b2 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.11.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.11.txt @@ -6,7 +6,7 @@ # annotated-types==0.7.0 # via pydantic -certifi==2024.6.2 +certifi==2024.7.4 # via requests charset-normalizer==3.3.2 # via requests @@ -14,7 +14,7 @@ contourpy==1.2.1 # via matplotlib cycler==0.12.1 # via matplotlib -fonttools==4.53.0 +fonttools==4.53.1 # via matplotlib idna==3.7 # via requests @@ -24,9 +24,9 @@ kiwisolver==1.4.5 # via matplotlib latexcodec==3.0.0 # via pybtex -matplotlib==3.9.0 +matplotlib==3.9.1 # via pymatgen -monty==2024.5.24 +monty==2024.7.12 # via # emmet-core (setup.py) # pymatgen @@ -53,21 +53,21 @@ pandas==2.2.2 # via pymatgen pillow==10.4.0 # via matplotlib -plotly==5.22.0 +plotly==5.23.0 # via pymatgen pybtex==0.24.0 # via # emmet-core (setup.py) # pymatgen -pydantic==2.8.0 +pydantic==2.8.2 # via # emmet-core (setup.py) # pydantic-settings -pydantic-core==2.20.0 +pydantic-core==2.20.1 # via pydantic pydantic-settings==2.3.4 # via emmet-core (setup.py) -pymatgen==2024.4.13 +pymatgen==2024.7.18 # via emmet-core (setup.py) pyparsing==3.1.2 # via matplotlib @@ -93,13 +93,13 @@ six==1.16.0 # via # pybtex # python-dateutil -spglib==2.4.0 +spglib==2.5.0 # via pymatgen -sympy==1.12.1 +sympy==1.13.1 # via pymatgen tabulate==0.9.0 # via pymatgen -tenacity==8.4.2 +tenacity==8.5.0 # via plotly tqdm==4.66.4 # via pymatgen @@ -110,7 +110,7 @@ typing-extensions==4.12.2 # pydantic-core tzdata==2024.1 # via pandas -uncertainties==3.2.1 +uncertainties==3.2.2 # via pymatgen urllib3==2.2.2 # via requests diff --git a/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt b/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt index 615b1b7bc4..da6a43637b 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt @@ -17,23 +17,24 @@ ase==3.23.0 # chgnet # matcalc # matgl + # pymatgen-analysis-diffusion attrs==23.2.0 # via # aiohttp # jsonlines # jsonschema # referencing -bcrypt==4.1.3 +bcrypt==4.2.0 # via paramiko -boto3==1.34.137 +boto3==1.34.146 # via maggma -botocore==1.34.137 +botocore==1.34.146 # via # boto3 # s3transfer bracex==2.4 # via wcmatch -certifi==2024.6.2 +certifi==2024.7.4 # via requests cffi==1.16.0 # via @@ -53,9 +54,9 @@ colorama==0.4.6 # via griffe contourpy==1.2.1 # via matplotlib -coverage[toml]==7.5.4 +coverage[toml]==7.6.0 # via pytest-cov -cryptography==42.0.8 +cryptography==43.0.0 # via paramiko csscompressor==0.9.5 # via mkdocs-minify-plugin @@ -73,7 +74,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.84.1 +emmet-core==0.83.6 # via mp-api fasteners==0.19 # via mdanalysis @@ -84,7 +85,7 @@ filelock==3.15.4 # virtualenv flake8==7.1.0 # via emmet-core (setup.py) -fonttools==4.53.0 +fonttools==4.53.1 # via matplotlib frozenlist==1.4.1 # via @@ -99,13 +100,13 @@ ghp-import==2.1.0 # via mkdocs griddataformats==1.0.2 # via mdanalysis -griffe==0.47.0 +griffe==0.48.0 # via mkdocstrings-python h5py==3.11.0 # via phonopy htmlmin2==0.1.13 # via mkdocs-minify-plugin -identify==2.5.36 +identify==2.6.0 # via pre-commit idna==3.7 # via @@ -113,7 +114,7 @@ idna==3.7 # yarl imageio==2.34.2 # via scikit-image -inflect==7.3.0 +inflect==7.3.1 # via robocrys iniconfig==2.0.0 # via pytest @@ -139,7 +140,7 @@ jsmin==3.0.1 # via mkdocs-minify-plugin jsonlines==4.0.0 # via maggma -jsonschema==4.22.0 +jsonschema==4.23.0 # via maggma jsonschema-specifications==2023.12.1 # via jsonschema @@ -149,9 +150,9 @@ latexcodec==3.0.0 # via pybtex lazy-loader==0.4 # via scikit-image -lightning==2.3.1 +lightning==2.3.3 # via matgl -lightning-utilities==0.11.3.post0 +lightning-utilities==0.11.6 # via # lightning # pytorch-lightning @@ -179,12 +180,13 @@ matgl==1.1.2 # via emmet-core (setup.py) matminer==0.9.2 # via robocrys -matplotlib==3.9.0 +matplotlib==3.9.1 # via # ase # mdanalysis # phonopy # pymatgen + # seaborn # solvation-analysis mccabe==0.7.0 # via flake8 @@ -233,7 +235,7 @@ mmtf-python==1.1.3 # via mdanalysis mongomock==4.1.2 # via maggma -monty==2024.5.24 +monty==2024.7.12 # via # custodian # emmet-core @@ -251,7 +253,7 @@ mp-pyrho==0.4.4 # via pymatgen-analysis-defects mpmath==1.3.0 # via sympy -mrcfile==1.5.0 +mrcfile==1.5.2 # via griddataformats msgpack==1.0.8 # via @@ -262,7 +264,7 @@ multidict==6.0.5 # via # aiohttp # yarl -mypy==1.10.1 +mypy==1.11.0 # via emmet-core (setup.py) mypy-extensions==1.0.0 # via @@ -285,7 +287,6 @@ numpy==1.26.4 # chgnet # contourpy # dgl - # emmet-core # emmet-core (setup.py) # griddataformats # h5py @@ -301,12 +302,14 @@ numpy==1.26.4 # phonopy # pymatgen # pymatgen-analysis-defects + # pymatgen-analysis-diffusion # pytorch-lightning # rdkit # robocrys # scikit-image # scikit-learn # scipy + # seaborn # seekpath # shapely # solvation-analysis @@ -347,7 +350,7 @@ nvidia-nvjitlink-cu12==12.5.82 # nvidia-cusparse-cu12 nvidia-nvtx-cu12==12.1.105 # via torch -orjson==3.10.5 +orjson==3.10.6 # via maggma packaging==24.1 # via @@ -371,6 +374,7 @@ pandas==2.2.2 # maggma # matminer # pymatgen + # seaborn # solvation-analysis # statsmodels paramiko==3.4.0 @@ -379,7 +383,7 @@ pathspec==0.12.1 # via mkdocs patsy==0.5.6 # via statsmodels -phonopy==2.25.0 +phonopy==2.26.6 # via matcalc pillow==10.4.0 # via @@ -392,7 +396,7 @@ platformdirs==4.2.2 # mkdocs-get-deps # mkdocstrings # virtualenv -plotly==5.22.0 +plotly==5.23.0 # via # pymatgen # solvation-analysis @@ -418,21 +422,21 @@ pycodestyle==2.12.0 # flake8 pycparser==2.22 # via cffi -pydantic==2.8.0 +pydantic==2.8.2 # via # emmet-core # emmet-core (setup.py) # maggma # matgl # pydantic-settings -pydantic-core==2.20.0 +pydantic-core==2.20.1 # via pydantic pydantic-settings==2.3.4 # via # emmet-core # emmet-core (setup.py) # maggma -pydash==8.0.1 +pydash==8.0.3 # via maggma pydocstyle==6.3.0 # via emmet-core (setup.py) @@ -440,7 +444,7 @@ pyflakes==3.2.0 # via flake8 pygments==2.18.0 # via mkdocs-material -pymatgen==2024.4.13 +pymatgen==2024.7.18 # via # chgnet # emmet-core @@ -456,9 +460,9 @@ pymatgen==2024.4.13 # robocrys pymatgen-analysis-alloys==0.0.6 # via emmet-core (setup.py) -pymatgen-analysis-defects==2024.5.11 +pymatgen-analysis-defects==2024.7.19 # via emmet-core (setup.py) -pymatgen-analysis-diffusion==2023.8.15 +pymatgen-analysis-diffusion==2024.7.15 # via emmet-core (setup.py) pymdown-extensions==10.8.1 # via @@ -472,7 +476,7 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.2 # via matplotlib -pytest==8.2.2 +pytest==8.3.1 # via # emmet-core (setup.py) # pytest-cov @@ -488,7 +492,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.3.1 +pytorch-lightning==2.3.3 # via lightning pytz==2024.1 # via pandas @@ -508,7 +512,7 @@ pyyaml-env-tag==0.1 # via mkdocs pyzmq==26.0.3 # via maggma -rdkit==2024.3.1 +rdkit==2024.3.3 # via solvation-analysis referencing==0.35.1 # via @@ -523,7 +527,7 @@ requests==2.32.3 # torchdata robocrys==0.2.9 # via emmet-core (setup.py) -rpds-py==0.18.1 +rpds-py==0.19.0 # via # jsonschema # referencing @@ -539,9 +543,9 @@ s3transfer==0.10.2 # via boto3 scikit-image==0.24.0 # via pymatgen-analysis-defects -scikit-learn==1.5.0 +scikit-learn==1.5.1 # via matminer -scipy==1.12.0 +scipy==1.14.0 # via # ase # dgl @@ -553,11 +557,13 @@ scipy==1.12.0 # scikit-learn # solvation-analysis # statsmodels +seaborn==0.13.2 + # via pymatgen-analysis-diffusion seekpath==2.1.0 # via emmet-core (setup.py) sentinels==1.0.0 # via mongomock -shapely==2.0.4 +shapely==2.0.5 # via pymatgen-analysis-alloys six==1.16.0 # via @@ -568,9 +574,9 @@ smart-open==7.0.4 # via mp-api snowballstemmer==2.2.0 # via pydocstyle -solvation-analysis==0.4.0 +solvation-analysis==0.4.1 # via emmet-core (setup.py) -spglib==2.4.0 +spglib==2.5.0 # via # phonopy # pymatgen @@ -580,20 +586,20 @@ sshtunnel==0.4.0 # via maggma statsmodels==0.14.2 # via solvation-analysis -sympy==1.12.1 +sympy==1.13.1 # via # matminer # pymatgen # torch tabulate==0.9.0 # via pymatgen -tenacity==8.4.2 +tenacity==8.5.0 # via plotly threadpoolctl==3.5.0 # via # mdanalysis # scikit-learn -tifffile==2024.6.18 +tifffile==2024.7.21 # via scikit-image torch==2.2.1 # via @@ -624,9 +630,9 @@ triton==2.2.0 # via torch typeguard==4.3.0 # via inflect -types-requests==2.32.0.20240622 +types-requests==2.32.0.20240712 # via emmet-core (setup.py) -types-setuptools==70.1.0.20240627 +types-setuptools==71.1.0.20240723 # via emmet-core (setup.py) typing-extensions==4.12.2 # via @@ -644,7 +650,7 @@ typing-extensions==4.12.2 # typeguard tzdata==2024.1 # via pandas -uncertainties==3.2.1 +uncertainties==3.2.2 # via pymatgen urllib3==2.2.2 # via