diff --git a/emmet-api/requirements/ubuntu-latest_py3.10.txt b/emmet-api/requirements/ubuntu-latest_py3.10.txt index 1896c8fb1d..2d8e05db18 100644 --- a/emmet-api/requirements/ubuntu-latest_py3.10.txt +++ b/emmet-api/requirements/ubuntu-latest_py3.10.txt @@ -24,11 +24,11 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via # emmet-api (setup.py) # maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -57,7 +57,7 @@ cycler==0.12.1 # via matplotlib ddsketch==2.0.4 # via ddtrace -ddtrace==2.7.0 +ddtrace==2.7.2 # via emmet-api (setup.py) deprecated==1.2.14 # via opentelemetry-api @@ -65,7 +65,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.78.6 +emmet-core==0.78.7 # via emmet-api (setup.py) envier==0.5.1 # via ddtrace @@ -109,7 +109,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex maggma==0.63.4 # via emmet-api (setup.py) @@ -148,7 +148,7 @@ opentelemetry-api==1.23.0 # via ddtrace orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # gunicorn # matplotlib @@ -200,7 +200,7 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -250,7 +250,6 @@ six==1.16.0 # via # ddsketch # ddtrace - # latexcodec # pybtex # python-dateutil sniffio==1.3.1 @@ -293,7 +292,7 @@ urllib3==2.0.7 # via # botocore # requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma werkzeug==3.0.1 # via flask diff --git a/emmet-api/requirements/ubuntu-latest_py3.10_extras.txt b/emmet-api/requirements/ubuntu-latest_py3.10_extras.txt index e9b8c0ec6c..670f3cb2b2 100644 --- a/emmet-api/requirements/ubuntu-latest_py3.10_extras.txt +++ b/emmet-api/requirements/ubuntu-latest_py3.10_extras.txt @@ -24,11 +24,11 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via # emmet-api (setup.py) # maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -69,7 +69,7 @@ cycler==0.12.1 # via matplotlib ddsketch==2.0.4 # via ddtrace -ddtrace==2.7.0 +ddtrace==2.7.2 # via emmet-api (setup.py) deprecated==1.2.14 # via opentelemetry-api @@ -79,7 +79,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.78.6 +emmet-core==0.78.7 # via emmet-api (setup.py) envier==0.5.1 # via ddtrace @@ -104,7 +104,7 @@ future==1.0.0 # via uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python gunicorn==21.2.0 # via emmet-api (setup.py) @@ -145,7 +145,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex livereload==2.6.3 # via emmet-api (setup.py) @@ -213,7 +213,7 @@ mpmath==1.3.0 # via sympy msgpack==1.0.8 # via maggma -mypy==1.8.0 +mypy==1.9.0 # via emmet-api (setup.py) mypy-extensions==1.0.0 # via @@ -239,7 +239,7 @@ opentelemetry-api==1.23.0 # via ddtrace orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # gunicorn # matplotlib @@ -308,7 +308,7 @@ pymatgen==2024.3.1 # pymatgen-analysis-alloys pymatgen-analysis-alloys==0.0.6 # via emmet-api (setup.py) -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings @@ -318,9 +318,9 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-api (setup.py) # pytest-cov @@ -383,7 +383,6 @@ six==1.16.0 # via # ddsketch # ddtrace - # latexcodec # livereload # pybtex # python-dateutil @@ -416,9 +415,9 @@ tqdm==4.66.2 # via # maggma # pymatgen -types-requests==2.31.0.20240218 +types-requests==2.31.0.20240311 # via emmet-api (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-api (setup.py) typing-extensions==4.10.0 # via @@ -442,7 +441,7 @@ urllib3==2.0.7 # botocore # requests # types-requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma virtualenv==20.25.1 # via pre-commit diff --git a/emmet-api/requirements/ubuntu-latest_py3.11.txt b/emmet-api/requirements/ubuntu-latest_py3.11.txt index 63e9d3b607..c05b4c24df 100644 --- a/emmet-api/requirements/ubuntu-latest_py3.11.txt +++ b/emmet-api/requirements/ubuntu-latest_py3.11.txt @@ -24,11 +24,11 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via # emmet-api (setup.py) # maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -57,7 +57,7 @@ cycler==0.12.1 # via matplotlib ddsketch==2.0.4 # via ddtrace -ddtrace==2.7.0 +ddtrace==2.7.2 # via emmet-api (setup.py) deprecated==1.2.14 # via opentelemetry-api @@ -65,7 +65,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.78.6 +emmet-core==0.78.7 # via emmet-api (setup.py) envier==0.5.1 # via ddtrace @@ -105,7 +105,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex maggma==0.63.4 # via emmet-api (setup.py) @@ -144,7 +144,7 @@ opentelemetry-api==1.23.0 # via ddtrace orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # gunicorn # matplotlib @@ -196,7 +196,7 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -246,7 +246,6 @@ six==1.16.0 # via # ddsketch # ddtrace - # latexcodec # pybtex # python-dateutil sniffio==1.3.1 @@ -285,7 +284,7 @@ urllib3==2.0.7 # via # botocore # requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma werkzeug==3.0.1 # via flask diff --git a/emmet-api/requirements/ubuntu-latest_py3.11_extras.txt b/emmet-api/requirements/ubuntu-latest_py3.11_extras.txt index 160126ee68..6c79f0a01a 100644 --- a/emmet-api/requirements/ubuntu-latest_py3.11_extras.txt +++ b/emmet-api/requirements/ubuntu-latest_py3.11_extras.txt @@ -24,11 +24,11 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via # emmet-api (setup.py) # maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -69,7 +69,7 @@ cycler==0.12.1 # via matplotlib ddsketch==2.0.4 # via ddtrace -ddtrace==2.7.0 +ddtrace==2.7.2 # via emmet-api (setup.py) deprecated==1.2.14 # via opentelemetry-api @@ -79,7 +79,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.78.6 +emmet-core==0.78.7 # via emmet-api (setup.py) envier==0.5.1 # via ddtrace @@ -99,7 +99,7 @@ future==1.0.0 # via uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python gunicorn==21.2.0 # via emmet-api (setup.py) @@ -140,7 +140,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex livereload==2.6.3 # via emmet-api (setup.py) @@ -208,7 +208,7 @@ mpmath==1.3.0 # via sympy msgpack==1.0.8 # via maggma -mypy==1.8.0 +mypy==1.9.0 # via emmet-api (setup.py) mypy-extensions==1.0.0 # via @@ -234,7 +234,7 @@ opentelemetry-api==1.23.0 # via ddtrace orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # gunicorn # matplotlib @@ -303,7 +303,7 @@ pymatgen==2024.3.1 # pymatgen-analysis-alloys pymatgen-analysis-alloys==0.0.6 # via emmet-api (setup.py) -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings @@ -313,9 +313,9 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-api (setup.py) # pytest-cov @@ -378,7 +378,6 @@ six==1.16.0 # via # ddsketch # ddtrace - # latexcodec # livereload # pybtex # python-dateutil @@ -406,9 +405,9 @@ tqdm==4.66.2 # via # maggma # pymatgen -types-requests==2.31.0.20240218 +types-requests==2.31.0.20240311 # via emmet-api (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-api (setup.py) typing-extensions==4.10.0 # via @@ -428,7 +427,7 @@ urllib3==2.0.7 # botocore # requests # types-requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma virtualenv==20.25.1 # via pre-commit diff --git a/emmet-api/requirements/ubuntu-latest_py3.9.txt b/emmet-api/requirements/ubuntu-latest_py3.9.txt index 4d3482f6af..d54ab0b31a 100644 --- a/emmet-api/requirements/ubuntu-latest_py3.9.txt +++ b/emmet-api/requirements/ubuntu-latest_py3.9.txt @@ -24,11 +24,11 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via # emmet-api (setup.py) # maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -57,7 +57,7 @@ cycler==0.12.1 # via matplotlib ddsketch==2.0.4 # via ddtrace -ddtrace==2.7.0 +ddtrace==2.7.2 # via emmet-api (setup.py) deprecated==1.2.14 # via opentelemetry-api @@ -65,7 +65,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.78.6 +emmet-core==0.78.7 # via emmet-api (setup.py) envier==0.5.1 # via ddtrace @@ -95,7 +95,7 @@ importlib-metadata==6.11.0 # via # flask # opentelemetry-api -importlib-resources==6.1.2 +importlib-resources==6.1.3 # via matplotlib itsdangerous==2.1.2 # via flask @@ -113,7 +113,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex maggma==0.63.4 # via emmet-api (setup.py) @@ -152,7 +152,7 @@ opentelemetry-api==1.23.0 # via ddtrace orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # gunicorn # matplotlib @@ -204,7 +204,7 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -254,7 +254,6 @@ six==1.16.0 # via # ddsketch # ddtrace - # latexcodec # pybtex # python-dateutil sniffio==1.3.1 @@ -300,7 +299,7 @@ urllib3==1.26.18 # via # botocore # requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma werkzeug==3.0.1 # via flask diff --git a/emmet-api/requirements/ubuntu-latest_py3.9_extras.txt b/emmet-api/requirements/ubuntu-latest_py3.9_extras.txt index 0882857584..288268cb3e 100644 --- a/emmet-api/requirements/ubuntu-latest_py3.9_extras.txt +++ b/emmet-api/requirements/ubuntu-latest_py3.9_extras.txt @@ -24,11 +24,11 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via # emmet-api (setup.py) # maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -69,7 +69,7 @@ cycler==0.12.1 # via matplotlib ddsketch==2.0.4 # via ddtrace -ddtrace==2.7.0 +ddtrace==2.7.2 # via emmet-api (setup.py) deprecated==1.2.14 # via opentelemetry-api @@ -79,7 +79,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.78.6 +emmet-core==0.78.7 # via emmet-api (setup.py) envier==0.5.1 # via ddtrace @@ -104,7 +104,7 @@ future==1.0.0 # via uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python gunicorn==21.2.0 # via emmet-api (setup.py) @@ -125,7 +125,7 @@ importlib-metadata==6.11.0 # mkdocs # mkdocstrings # opentelemetry-api -importlib-resources==6.1.2 +importlib-resources==6.1.3 # via matplotlib iniconfig==2.0.0 # via pytest @@ -152,7 +152,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex livereload==2.6.3 # via emmet-api (setup.py) @@ -220,7 +220,7 @@ mpmath==1.3.0 # via sympy msgpack==1.0.8 # via maggma -mypy==1.8.0 +mypy==1.9.0 # via emmet-api (setup.py) mypy-extensions==1.0.0 # via @@ -246,7 +246,7 @@ opentelemetry-api==1.23.0 # via ddtrace orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # gunicorn # matplotlib @@ -315,7 +315,7 @@ pymatgen==2024.3.1 # pymatgen-analysis-alloys pymatgen-analysis-alloys==0.0.6 # via emmet-api (setup.py) -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings @@ -325,9 +325,9 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-api (setup.py) # pytest-cov @@ -390,7 +390,6 @@ six==1.16.0 # via # ddsketch # ddtrace - # latexcodec # livereload # pybtex # python-dateutil @@ -425,7 +424,7 @@ tqdm==4.66.2 # pymatgen types-requests==2.31.0.6 # via emmet-api (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-api (setup.py) types-urllib3==1.26.25.14 # via types-requests @@ -454,7 +453,7 @@ urllib3==1.26.18 # via # botocore # requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma virtualenv==20.25.1 # via pre-commit diff --git a/emmet-builders/requirements/ubuntu-latest_py3.10.txt b/emmet-builders/requirements/ubuntu-latest_py3.10.txt index 81007e9cba..74f9d49785 100644 --- a/emmet-builders/requirements/ubuntu-latest_py3.10.txt +++ b/emmet-builders/requirements/ubuntu-latest_py3.10.txt @@ -30,9 +30,9 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -57,15 +57,15 @@ cryptography==42.0.5 # via paramiko cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl dnspython==2.6.1 # via # maggma # pymongo -emmet-core[all,ml]==0.78.6 +emmet-core[all,ml]==0.78.7 # via emmet-builders (setup.py) exceptiongroup==1.2.0 # via anyio @@ -124,7 +124,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -222,7 +222,7 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 @@ -230,7 +230,7 @@ nvidia-nvtx-cu12==12.1.105 # via torch orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -299,7 +299,7 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -309,7 +309,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -330,6 +330,7 @@ requests==2.31.0 # matminer # mongogrant # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core rpds-py==0.18.0 @@ -362,7 +363,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # pybtex # python-dateutil sniffio==1.3.1 @@ -393,7 +393,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tqdm==4.66.2 @@ -424,7 +427,8 @@ urllib3==2.0.7 # via # botocore # requests -uvicorn==0.27.1 + # torchdata +uvicorn==0.28.0 # via maggma werkzeug==3.0.1 # via flask diff --git a/emmet-builders/requirements/ubuntu-latest_py3.10_extras.txt b/emmet-builders/requirements/ubuntu-latest_py3.10_extras.txt index efde7253b1..889ba2cea7 100644 --- a/emmet-builders/requirements/ubuntu-latest_py3.10_extras.txt +++ b/emmet-builders/requirements/ubuntu-latest_py3.10_extras.txt @@ -30,9 +30,9 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -69,9 +69,9 @@ csscompressor==0.9.5 # via mkdocs-minify-plugin cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl distlib==0.3.8 # via virtualenv @@ -79,7 +79,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core[all,ml]==0.78.6 +emmet-core[all,ml]==0.78.7 # via emmet-builders (setup.py) exceptiongroup==1.2.0 # via @@ -112,7 +112,7 @@ future==1.0.0 # uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python h11==0.14.0 # via uvicorn @@ -159,7 +159,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -248,7 +248,7 @@ multidict==6.0.5 # via # aiohttp # yarl -mypy==1.8.0 +mypy==1.9.0 # via emmet-builders (setup.py) mypy-extensions==1.0.0 # via @@ -312,7 +312,7 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 @@ -320,7 +320,7 @@ nvidia-nvtx-cu12==12.1.105 # via torch orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -405,7 +405,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings @@ -416,9 +416,9 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-builders (setup.py) # pytest-cov @@ -433,7 +433,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -461,6 +461,7 @@ requests==2.31.0 # matminer # mongogrant # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core rpds-py==0.18.0 @@ -493,7 +494,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # livereload # pybtex # python-dateutil @@ -532,7 +532,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tornado==6.4 @@ -546,9 +549,9 @@ tqdm==4.66.2 # pytorch-lightning triton==2.2.0 # via torch -types-requests==2.31.0.20240218 +types-requests==2.31.0.20240311 # via emmet-builders (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-builders (setup.py) typing-extensions==4.10.0 # via @@ -570,8 +573,9 @@ urllib3==2.0.7 # via # botocore # requests + # torchdata # types-requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma virtualenv==20.25.1 # via pre-commit diff --git a/emmet-builders/requirements/ubuntu-latest_py3.11.txt b/emmet-builders/requirements/ubuntu-latest_py3.11.txt index 1878911e22..c96b4a4da8 100644 --- a/emmet-builders/requirements/ubuntu-latest_py3.11.txt +++ b/emmet-builders/requirements/ubuntu-latest_py3.11.txt @@ -28,9 +28,9 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -55,15 +55,15 @@ cryptography==42.0.5 # via paramiko cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl dnspython==2.6.1 # via # maggma # pymongo -emmet-core[all,ml]==0.78.6 +emmet-core[all,ml]==0.78.7 # via emmet-builders (setup.py) fastapi==0.110.0 # via maggma @@ -120,7 +120,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -218,7 +218,7 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 @@ -226,7 +226,7 @@ nvidia-nvtx-cu12==12.1.105 # via torch orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -295,7 +295,7 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -305,7 +305,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -326,6 +326,7 @@ requests==2.31.0 # matminer # mongogrant # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core rpds-py==0.18.0 @@ -358,7 +359,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # pybtex # python-dateutil sniffio==1.3.1 @@ -389,7 +389,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tqdm==4.66.2 @@ -418,7 +421,8 @@ urllib3==2.0.7 # via # botocore # requests -uvicorn==0.27.1 + # torchdata +uvicorn==0.28.0 # via maggma werkzeug==3.0.1 # via flask diff --git a/emmet-builders/requirements/ubuntu-latest_py3.11_extras.txt b/emmet-builders/requirements/ubuntu-latest_py3.11_extras.txt index 36a8a8886d..2e11bc1e39 100644 --- a/emmet-builders/requirements/ubuntu-latest_py3.11_extras.txt +++ b/emmet-builders/requirements/ubuntu-latest_py3.11_extras.txt @@ -28,9 +28,9 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -67,9 +67,9 @@ csscompressor==0.9.5 # via mkdocs-minify-plugin cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl distlib==0.3.8 # via virtualenv @@ -77,7 +77,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core[all,ml]==0.78.6 +emmet-core[all,ml]==0.78.7 # via emmet-builders (setup.py) fastapi==0.110.0 # via maggma @@ -106,7 +106,7 @@ future==1.0.0 # uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python h11==0.14.0 # via uvicorn @@ -153,7 +153,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -242,7 +242,7 @@ multidict==6.0.5 # via # aiohttp # yarl -mypy==1.8.0 +mypy==1.9.0 # via emmet-builders (setup.py) mypy-extensions==1.0.0 # via @@ -306,7 +306,7 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 @@ -314,7 +314,7 @@ nvidia-nvtx-cu12==12.1.105 # via torch orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -399,7 +399,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings @@ -410,9 +410,9 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-builders (setup.py) # pytest-cov @@ -427,7 +427,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -455,6 +455,7 @@ requests==2.31.0 # matminer # mongogrant # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core rpds-py==0.18.0 @@ -487,7 +488,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # livereload # pybtex # python-dateutil @@ -521,7 +521,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tornado==6.4 @@ -535,9 +538,9 @@ tqdm==4.66.2 # pytorch-lightning triton==2.2.0 # via torch -types-requests==2.31.0.20240218 +types-requests==2.31.0.20240311 # via emmet-builders (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-builders (setup.py) typing-extensions==4.10.0 # via @@ -557,8 +560,9 @@ urllib3==2.0.7 # via # botocore # requests + # torchdata # types-requests -uvicorn==0.27.1 +uvicorn==0.28.0 # via maggma virtualenv==20.25.1 # via pre-commit diff --git a/emmet-builders/requirements/ubuntu-latest_py3.9.txt b/emmet-builders/requirements/ubuntu-latest_py3.9.txt index ea17312457..2be2e4595a 100644 --- a/emmet-builders/requirements/ubuntu-latest_py3.9.txt +++ b/emmet-builders/requirements/ubuntu-latest_py3.9.txt @@ -30,9 +30,9 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -57,15 +57,15 @@ cryptography==42.0.5 # via paramiko cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl dnspython==2.6.1 # via # maggma # pymongo -emmet-core[all,ml]==0.78.6 +emmet-core[all,ml]==0.78.7 # via emmet-builders (setup.py) exceptiongroup==1.2.0 # via anyio @@ -100,9 +100,9 @@ idna==3.6 # anyio # requests # yarl -importlib-metadata==7.0.1 +importlib-metadata==7.0.2 # via flask -importlib-resources==6.1.2 +importlib-resources==6.1.3 # via matplotlib inflect==7.0.0 # via robocrys @@ -128,7 +128,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -226,7 +226,7 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 @@ -234,7 +234,7 @@ nvidia-nvtx-cu12==12.1.105 # via torch orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -303,7 +303,7 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -313,7 +313,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -334,6 +334,7 @@ requests==2.31.0 # matminer # mongogrant # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core rpds-py==0.18.0 @@ -366,7 +367,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # pybtex # python-dateutil sniffio==1.3.1 @@ -397,7 +397,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tqdm==4.66.2 @@ -430,7 +433,8 @@ urllib3==1.26.18 # via # botocore # requests -uvicorn==0.27.1 + # torchdata +uvicorn==0.28.0 # via maggma werkzeug==3.0.1 # via flask diff --git a/emmet-builders/requirements/ubuntu-latest_py3.9_extras.txt b/emmet-builders/requirements/ubuntu-latest_py3.9_extras.txt index a7e8e8476a..dca6025cd8 100644 --- a/emmet-builders/requirements/ubuntu-latest_py3.9_extras.txt +++ b/emmet-builders/requirements/ubuntu-latest_py3.9_extras.txt @@ -30,9 +30,9 @@ bcrypt==4.1.2 # via paramiko blinker==1.7.0 # via flask -boto3==1.34.54 +boto3==1.34.59 # via maggma -botocore==1.34.54 +botocore==1.34.59 # via # boto3 # s3transfer @@ -69,9 +69,9 @@ csscompressor==0.9.5 # via mkdocs-minify-plugin cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl distlib==0.3.8 # via virtualenv @@ -79,7 +79,7 @@ dnspython==2.6.1 # via # maggma # pymongo -emmet-core[all,ml]==0.78.6 +emmet-core[all,ml]==0.78.7 # via emmet-builders (setup.py) exceptiongroup==1.2.0 # via @@ -112,7 +112,7 @@ future==1.0.0 # uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python h11==0.14.0 # via uvicorn @@ -127,13 +127,13 @@ idna==3.6 # anyio # requests # yarl -importlib-metadata==7.0.1 +importlib-metadata==7.0.2 # via # flask # markdown # mkdocs # mkdocstrings -importlib-resources==6.1.2 +importlib-resources==6.1.3 # via matplotlib inflect==7.0.0 # via robocrys @@ -167,7 +167,7 @@ jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -256,7 +256,7 @@ multidict==6.0.5 # via # aiohttp # yarl -mypy==1.8.0 +mypy==1.9.0 # via emmet-builders (setup.py) mypy-extensions==1.0.0 # via @@ -320,7 +320,7 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 @@ -328,7 +328,7 @@ nvidia-nvtx-cu12==12.1.105 # via torch orjson==3.9.15 # via maggma -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -413,7 +413,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings @@ -424,9 +424,9 @@ pymongo==4.6.2 # mongogrant pynacl==1.5.0 # via paramiko -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-builders (setup.py) # pytest-cov @@ -441,7 +441,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -469,6 +469,7 @@ requests==2.31.0 # matminer # mongogrant # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core rpds-py==0.18.0 @@ -501,7 +502,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # livereload # pybtex # python-dateutil @@ -540,7 +540,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tornado==6.4 @@ -556,7 +559,7 @@ triton==2.2.0 # via torch types-requests==2.31.0.6 # via emmet-builders (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-builders (setup.py) types-urllib3==1.26.25.14 # via types-requests @@ -583,7 +586,8 @@ urllib3==1.26.18 # via # botocore # requests -uvicorn==0.27.1 + # torchdata +uvicorn==0.28.0 # via maggma virtualenv==20.25.1 # via pre-commit diff --git a/emmet-core/requirements/ubuntu-latest_py3.10.txt b/emmet-core/requirements/ubuntu-latest_py3.10.txt index 2940bf33be..65ed740ae8 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.10.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.10.txt @@ -24,7 +24,7 @@ joblib==1.3.2 # via pymatgen kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex matplotlib==3.8.3 # via pymatgen @@ -44,7 +44,7 @@ numpy==1.26.4 # pymatgen # scipy # spglib -packaging==23.2 +packaging==24.0 # via # matplotlib # plotly @@ -70,7 +70,7 @@ pydantic-settings==2.2.1 # via emmet-core (setup.py) pymatgen==2024.3.1 # via emmet-core (setup.py) -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -92,7 +92,6 @@ scipy==1.12.0 # via pymatgen six==1.16.0 # via - # latexcodec # pybtex # python-dateutil spglib==2.3.1 diff --git a/emmet-core/requirements/ubuntu-latest_py3.10_extras.txt b/emmet-core/requirements/ubuntu-latest_py3.10_extras.txt index f36e76f6fa..aa9b3b170a 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.10_extras.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.10_extras.txt @@ -45,9 +45,9 @@ custodian==2024.2.15 # via emmet-core (setup.py) cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl distlib==0.3.8 # via virtualenv @@ -78,7 +78,7 @@ future==1.0.0 # uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python h5py==3.10.0 # via phonopy @@ -111,7 +111,7 @@ jsmin==3.0.1 # via mkdocs-minify-plugin kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -189,7 +189,7 @@ multidict==6.0.5 # via # aiohttp # yarl -mypy==1.8.0 +mypy==1.9.0 # via emmet-core (setup.py) mypy-extensions==1.0.0 # via @@ -252,13 +252,13 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 nvidia-nvtx-cu12==12.1.105 # via torch -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -334,15 +334,15 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core (setup.py) pymatgen-analysis-diffusion==2023.8.15 # via emmet-core (setup.py) -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings pymongo==4.6.2 # via matminer -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-core (setup.py) # pytest-cov @@ -355,7 +355,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -376,6 +376,7 @@ requests==2.31.0 # dgl # matminer # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core (setup.py) ruamel-yaml==0.18.6 @@ -400,7 +401,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # livereload # pybtex # python-dateutil @@ -433,7 +433,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tornado==6.4 @@ -446,9 +449,9 @@ tqdm==4.66.2 # pytorch-lightning triton==2.2.0 # via torch -types-requests==2.31.0.20240218 +types-requests==2.31.0.20240311 # via emmet-core (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-core (setup.py) typing-extensions==4.10.0 # via @@ -465,6 +468,7 @@ uncertainties==3.1.7 urllib3==2.2.1 # via # requests + # torchdata # types-requests virtualenv==20.25.1 # via pre-commit diff --git a/emmet-core/requirements/ubuntu-latest_py3.11.txt b/emmet-core/requirements/ubuntu-latest_py3.11.txt index 204aec6ef0..d96cb5b45a 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.11.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.11.txt @@ -24,7 +24,7 @@ joblib==1.3.2 # via pymatgen kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex matplotlib==3.8.3 # via pymatgen @@ -44,7 +44,7 @@ numpy==1.26.4 # pymatgen # scipy # spglib -packaging==23.2 +packaging==24.0 # via # matplotlib # plotly @@ -70,7 +70,7 @@ pydantic-settings==2.2.1 # via emmet-core (setup.py) pymatgen==2024.3.1 # via emmet-core (setup.py) -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -92,7 +92,6 @@ scipy==1.12.0 # via pymatgen six==1.16.0 # via - # latexcodec # pybtex # python-dateutil spglib==2.3.1 diff --git a/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt b/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt index 8386b48561..6996bf7d19 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt @@ -43,9 +43,9 @@ custodian==2024.2.15 # via emmet-core (setup.py) cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl distlib==0.3.8 # via virtualenv @@ -74,7 +74,7 @@ future==1.0.0 # uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python h5py==3.10.0 # via phonopy @@ -107,7 +107,7 @@ jsmin==3.0.1 # via mkdocs-minify-plugin kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -185,7 +185,7 @@ multidict==6.0.5 # via # aiohttp # yarl -mypy==1.8.0 +mypy==1.9.0 # via emmet-core (setup.py) mypy-extensions==1.0.0 # via @@ -248,13 +248,13 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 nvidia-nvtx-cu12==12.1.105 # via torch -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -330,15 +330,15 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core (setup.py) pymatgen-analysis-diffusion==2023.8.15 # via emmet-core (setup.py) -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings pymongo==4.6.2 # via matminer -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-core (setup.py) # pytest-cov @@ -351,7 +351,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -372,6 +372,7 @@ requests==2.31.0 # dgl # matminer # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core (setup.py) ruamel-yaml==0.18.6 @@ -396,7 +397,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # livereload # pybtex # python-dateutil @@ -424,7 +424,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tornado==6.4 @@ -437,9 +440,9 @@ tqdm==4.66.2 # pytorch-lightning triton==2.2.0 # via torch -types-requests==2.31.0.20240218 +types-requests==2.31.0.20240311 # via emmet-core (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-core (setup.py) typing-extensions==4.10.0 # via @@ -456,6 +459,7 @@ uncertainties==3.1.7 urllib3==2.2.1 # via # requests + # torchdata # types-requests virtualenv==20.25.1 # via pre-commit diff --git a/emmet-core/requirements/ubuntu-latest_py3.9.txt b/emmet-core/requirements/ubuntu-latest_py3.9.txt index 4660b1431c..1ee6d8c052 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.9.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.9.txt @@ -20,13 +20,13 @@ future==1.0.0 # via uncertainties idna==3.6 # via requests -importlib-resources==6.1.2 +importlib-resources==6.1.3 # via matplotlib joblib==1.3.2 # via pymatgen kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex matplotlib==3.8.3 # via pymatgen @@ -46,7 +46,7 @@ numpy==1.26.4 # pymatgen # scipy # spglib -packaging==23.2 +packaging==24.0 # via # matplotlib # plotly @@ -72,7 +72,7 @@ pydantic-settings==2.2.1 # via emmet-core (setup.py) pymatgen==2024.3.1 # via emmet-core (setup.py) -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib python-dateutil==2.9.0.post0 # via @@ -94,7 +94,6 @@ scipy==1.12.0 # via pymatgen six==1.16.0 # via - # latexcodec # pybtex # python-dateutil spglib==2.3.1 diff --git a/emmet-core/requirements/ubuntu-latest_py3.9_extras.txt b/emmet-core/requirements/ubuntu-latest_py3.9_extras.txt index 8986931f93..0b6db8e375 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.9_extras.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.9_extras.txt @@ -45,9 +45,9 @@ custodian==2024.2.15 # via emmet-core (setup.py) cycler==0.12.1 # via matplotlib -cython==3.0.8 +cython==3.0.9 # via chgnet -dgl==1.1.3 +dgl==2.1.0 # via matgl distlib==0.3.8 # via virtualenv @@ -78,7 +78,7 @@ future==1.0.0 # uncertainties ghp-import==2.1.0 # via mkdocs -griffe==0.41.1 +griffe==0.41.3 # via mkdocstrings-python h5py==3.10.0 # via phonopy @@ -90,12 +90,12 @@ idna==3.6 # via # requests # yarl -importlib-metadata==7.0.1 +importlib-metadata==7.0.2 # via # markdown # mkdocs # mkdocstrings -importlib-resources==6.1.2 +importlib-resources==6.1.3 # via matplotlib inflect==7.0.0 # via robocrys @@ -118,7 +118,7 @@ jsmin==3.0.1 # via mkdocs-minify-plugin kiwisolver==1.4.5 # via matplotlib -latexcodec==2.0.1 +latexcodec==3.0.0 # via pybtex lightning-utilities==0.10.1 # via @@ -196,7 +196,7 @@ multidict==6.0.5 # via # aiohttp # yarl -mypy==1.8.0 +mypy==1.9.0 # via emmet-core (setup.py) mypy-extensions==1.0.0 # via @@ -259,13 +259,13 @@ nvidia-ml-py3==7.352.0 # via chgnet nvidia-nccl-cu12==2.19.3 # via torch -nvidia-nvjitlink-cu12==12.3.101 +nvidia-nvjitlink-cu12==12.4.99 # via # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 nvidia-nvtx-cu12==12.1.105 # via torch -packaging==23.2 +packaging==24.0 # via # lightning-utilities # matplotlib @@ -341,15 +341,15 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core (setup.py) pymatgen-analysis-diffusion==2023.8.15 # via emmet-core (setup.py) -pymdown-extensions==10.7 +pymdown-extensions==10.7.1 # via # mkdocs-material # mkdocstrings pymongo==4.6.2 # via matminer -pyparsing==3.1.1 +pyparsing==3.1.2 # via matplotlib -pytest==8.0.2 +pytest==8.1.1 # via # emmet-core (setup.py) # pytest-cov @@ -362,7 +362,7 @@ python-dateutil==2.9.0.post0 # pandas python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.2.0.post0 +pytorch-lightning==2.2.1 # via matgl pytz==2024.1 # via pandas @@ -383,6 +383,7 @@ requests==2.31.0 # dgl # matminer # pymatgen + # torchdata robocrys==0.2.8 # via emmet-core (setup.py) ruamel-yaml==0.18.6 @@ -407,7 +408,6 @@ shapely==2.0.3 # via pymatgen-analysis-alloys six==1.16.0 # via - # latexcodec # livereload # pybtex # python-dateutil @@ -440,7 +440,10 @@ torch==2.2.1 # chgnet # matgl # pytorch-lightning + # torchdata # torchmetrics +torchdata==0.7.1 + # via dgl torchmetrics==1.3.1 # via pytorch-lightning tornado==6.4 @@ -453,9 +456,9 @@ tqdm==4.66.2 # pytorch-lightning triton==2.2.0 # via torch -types-requests==2.31.0.20240218 +types-requests==2.31.0.20240311 # via emmet-core (setup.py) -types-setuptools==69.1.0.20240301 +types-setuptools==69.1.0.20240310 # via emmet-core (setup.py) typing-extensions==4.10.0 # via @@ -473,6 +476,7 @@ uncertainties==3.1.7 urllib3==2.2.1 # via # requests + # torchdata # types-requests virtualenv==20.25.1 # via pre-commit