From 0a0f174a6a89e37f81841c9a7734d38ef7eb25c9 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:51:36 +0000 Subject: [PATCH 1/9] Update macos-latest dependencies for mp-api --- .../requirements-macos-latest_py3.10.txt | 119 ++++--- ...equirements-macos-latest_py3.10_extras.txt | 296 ++++++------------ 2 files changed, 163 insertions(+), 252 deletions(-) diff --git a/requirements/requirements-macos-latest_py3.10.txt b/requirements/requirements-macos-latest_py3.10.txt index d0e70a9fc..066e14119 100644 --- a/requirements/requirements-macos-latest_py3.10.txt +++ b/requirements/requirements-macos-latest_py3.10.txt @@ -6,70 +6,68 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via anyio -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -77,27 +75,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -109,9 +107,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -120,7 +118,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -129,13 +127,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -143,25 +141,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -175,15 +173,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -192,19 +190,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -213,13 +211,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -227,12 +225,13 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via + # anyio # emmet-core # fastapi # mp-api (pyproject.toml) @@ -240,17 +239,17 @@ typing-extensions==4.8.0 # pydantic-core # pydash # uvicorn -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/requirements-macos-latest_py3.10_extras.txt b/requirements/requirements-macos-latest_py3.10_extras.txt index e374e47b3..cb82b2aea 100644 --- a/requirements/requirements-macos-latest_py3.10_extras.txt +++ b/requirements/requirements-macos-latest_py3.10_extras.txt @@ -4,156 +4,121 @@ # # pip-compile --all-extras --output-file=requirements/requirements-macos-latest_py3.10_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -appnope==0.1.3 - # via ipython +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2.post1 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via # anyio # ipython # pytest -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.22.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -161,10 +126,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -181,34 +144,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -223,7 +180,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -232,7 +189,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -242,30 +199,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -273,26 +222,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-ml-py3==7.352.0 - # via chgnet -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -300,36 +243,32 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -pexpect==4.8.0 +pexpect==4.9.0 # via ipython -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian ptyprocess==0.7.0 # via pexpect pubchempy==1.0.4 @@ -341,39 +280,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -384,7 +321,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -394,17 +331,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -415,11 +352,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -430,11 +365,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -442,8 +376,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -453,15 +385,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -469,14 +401,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -486,9 +417,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -504,9 +433,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -516,7 +445,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -526,85 +455,68 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn tomli==2.0.1 # via # coverage # mypy # pytest -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow -types-requests==2.31.0.6 +types-requests==2.31.0.20240218 # via mp-api (pyproject.toml) -types-urllib3==1.26.25.14 - # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via + # anyio # bravado # emmet-core # fastapi # inflect - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # swagger-spec-validator - # torch # uvicorn -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 + # types-requests +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp # The following packages are considered to be unsafe in a requirements file: # setuptools From a6a44c00f12135664cf70fe90544ee5052d5cf27 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:51:33 +0000 Subject: [PATCH 2/9] Update macos-latest dependencies for mp-api --- .../requirements-macos-latest_py3.11.txt | 116 ++++--- ...equirements-macos-latest_py3.11_extras.txt | 293 ++++++------------ 2 files changed, 159 insertions(+), 250 deletions(-) diff --git a/requirements/requirements-macos-latest_py3.11.txt b/requirements/requirements-macos-latest_py3.11.txt index b309842e3..f783ecd23 100644 --- a/requirements/requirements-macos-latest_py3.11.txt +++ b/requirements/requirements-macos-latest_py3.11.txt @@ -6,68 +6,66 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -75,27 +73,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -107,9 +105,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -118,7 +116,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -127,13 +125,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -141,25 +139,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -173,15 +171,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -190,19 +188,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -211,13 +209,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -225,11 +223,11 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # emmet-core # fastapi @@ -237,17 +235,17 @@ typing-extensions==4.8.0 # pydantic # pydantic-core # pydash -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/requirements-macos-latest_py3.11_extras.txt b/requirements/requirements-macos-latest_py3.11_extras.txt index f2fe98f94..0f3f20fe3 100644 --- a/requirements/requirements-macos-latest_py3.11_extras.txt +++ b/requirements/requirements-macos-latest_py3.11_extras.txt @@ -4,151 +4,116 @@ # # pip-compile --all-extras --output-file=requirements/requirements-macos-latest_py3.11_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -appnope==0.1.3 - # via ipython +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2.post1 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.22.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -156,10 +121,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -176,34 +139,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -218,7 +175,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -227,7 +184,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -237,30 +194,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -268,26 +217,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-ml-py3==7.352.0 - # via chgnet -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -295,36 +238,32 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -pexpect==4.8.0 +pexpect==4.9.0 # via ipython -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian ptyprocess==0.7.0 # via pexpect pubchempy==1.0.4 @@ -336,39 +275,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -379,7 +316,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -389,17 +326,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -410,11 +347,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -425,11 +360,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -437,8 +371,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -448,15 +380,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -464,14 +396,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -481,9 +412,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -499,9 +428,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -511,7 +440,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -521,79 +450,61 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow -types-requests==2.31.0.6 +types-requests==2.31.0.20240218 # via mp-api (pyproject.toml) -types-urllib3==1.26.25.14 - # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # bravado # emmet-core # fastapi # inflect - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # swagger-spec-validator - # torch -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 + # types-requests +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp # The following packages are considered to be unsafe in a requirements file: # setuptools From 96ef0ea602c2454a781eef2fc4b0009a48ac4f68 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:51:54 +0000 Subject: [PATCH 3/9] Update macos-latest dependencies for mp-api --- .../requirements-macos-latest_py3.9.txt | 123 ++++---- ...requirements-macos-latest_py3.9_extras.txt | 295 ++++++------------ 2 files changed, 165 insertions(+), 253 deletions(-) diff --git a/requirements/requirements-macos-latest_py3.9.txt b/requirements/requirements-macos-latest_py3.9.txt index 812163efb..b43addb66 100644 --- a/requirements/requirements-macos-latest_py3.9.txt +++ b/requirements/requirements-macos-latest_py3.9.txt @@ -6,74 +6,72 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via anyio -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests -importlib-metadata==6.8.0 +importlib-metadata==7.0.1 # via flask -importlib-resources==6.1.0 +importlib-resources==6.1.2 # via matplotlib itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -81,27 +79,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -113,9 +111,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -124,7 +122,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -133,13 +131,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -147,25 +145,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -179,15 +177,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -196,19 +194,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -217,13 +215,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -231,13 +229,14 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # aioitertools + # anyio # emmet-core # fastapi # mp-api (pyproject.toml) @@ -246,17 +245,17 @@ typing-extensions==4.8.0 # pydash # starlette # uvicorn -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==1.26.18 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask zipp==3.17.0 # via diff --git a/requirements/requirements-macos-latest_py3.9_extras.txt b/requirements/requirements-macos-latest_py3.9_extras.txt index 3b91550fd..3f651a5fd 100644 --- a/requirements/requirements-macos-latest_py3.9_extras.txt +++ b/requirements/requirements-macos-latest_py3.9_extras.txt @@ -4,160 +4,125 @@ # # pip-compile --all-extras --output-file=requirements/requirements-macos-latest_py3.9_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -appnope==0.1.3 - # via ipython +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2.post1 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via # anyio # ipython # pytest -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl -importlib-metadata==6.8.0 +importlib-metadata==7.0.1 # via flask -importlib-resources==6.1.0 +importlib-resources==6.1.2 # via matplotlib inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.18.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -165,10 +130,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -185,34 +148,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -227,7 +184,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -236,7 +193,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -246,30 +203,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -277,26 +226,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-ml-py3==7.352.0 - # via chgnet -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -304,36 +247,32 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -pexpect==4.8.0 +pexpect==4.9.0 # via ipython -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian ptyprocess==0.7.0 # via pexpect pubchempy==1.0.4 @@ -345,39 +284,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -388,7 +325,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -398,17 +335,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -419,11 +356,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -434,11 +369,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -446,8 +380,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -457,15 +389,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -473,14 +405,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -490,9 +421,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -508,9 +437,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -520,7 +449,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -530,88 +459,72 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn tomli==2.0.1 # via # coverage # mypy # pytest -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow types-requests==2.31.0.6 # via mp-api (pyproject.toml) types-urllib3==1.26.25.14 # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # aioitertools + # anyio # bravado # emmet-core # fastapi # inflect # ipython - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # starlette # swagger-spec-validator - # torch # uvicorn -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==1.26.18 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp zipp==3.17.0 # via # importlib-metadata From 1afee78c3170800d1f9b9e43139e4c6d8453a7e6 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:50:52 +0000 Subject: [PATCH 4/9] Update ubuntu-latest dependencies for mp-api --- .../requirements-ubuntu-latest_py3.10.txt | 119 ++++--- ...quirements-ubuntu-latest_py3.10_extras.txt | 328 ++++++------------ 2 files changed, 163 insertions(+), 284 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.10.txt b/requirements/requirements-ubuntu-latest_py3.10.txt index 0306953cb..f22a62e0d 100644 --- a/requirements/requirements-ubuntu-latest_py3.10.txt +++ b/requirements/requirements-ubuntu-latest_py3.10.txt @@ -6,70 +6,68 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via anyio -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -77,27 +75,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -109,9 +107,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -120,7 +118,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -129,13 +127,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -143,25 +141,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -175,15 +173,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -192,19 +190,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -213,13 +211,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -227,12 +225,13 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via + # anyio # emmet-core # fastapi # mp-api (pyproject.toml) @@ -240,17 +239,17 @@ typing-extensions==4.8.0 # pydantic-core # pydash # uvicorn -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/requirements-ubuntu-latest_py3.10_extras.txt b/requirements/requirements-ubuntu-latest_py3.10_extras.txt index 8566136da..94cba8e02 100644 --- a/requirements/requirements-ubuntu-latest_py3.10_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.10_extras.txt @@ -4,155 +4,121 @@ # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.10_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via # anyio # ipython # pytest -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # triton - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.22.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -160,10 +126,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -180,34 +144,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -222,7 +180,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -231,7 +189,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -241,30 +199,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -272,57 +222,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-cublas-cu12==12.1.3.1 - # via - # nvidia-cudnn-cu12 - # nvidia-cusolver-cu12 - # torch -nvidia-cuda-cupti-cu12==12.1.105 - # via torch -nvidia-cuda-nvrtc-cu12==12.1.105 - # via torch -nvidia-cuda-runtime-cu12==12.1.105 - # via torch -nvidia-cudnn-cu12==8.9.2.26 - # via torch -nvidia-cufft-cu12==11.0.2.54 - # via torch -nvidia-curand-cu12==10.3.2.106 - # via torch -nvidia-cusolver-cu12==11.4.5.107 - # via torch -nvidia-cusparse-cu12==12.1.0.106 - # via - # nvidia-cusolver-cu12 - # torch -nvidia-ml-py3==7.352.0 - # via chgnet -nvidia-nccl-cu12==2.18.1 - # via torch -nvidia-nvjitlink-cu12==12.2.140 - # via - # nvidia-cusolver-cu12 - # nvidia-cusparse-cu12 -nvidia-nvtx-cu12==12.1.105 - # via torch -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -330,36 +243,32 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -pexpect==4.8.0 +pexpect==4.9.0 # via ipython -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian ptyprocess==0.7.0 # via pexpect pubchempy==1.0.4 @@ -371,39 +280,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -414,7 +321,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -424,17 +331,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -445,11 +352,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -460,11 +365,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -472,8 +376,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -483,15 +385,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -499,14 +401,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -516,9 +417,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -534,9 +433,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -546,7 +445,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -556,87 +455,68 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn tomli==2.0.1 # via # coverage # mypy # pytest -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline -triton==2.1.0 - # via torch types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow -types-requests==2.31.0.6 +types-requests==2.31.0.20240218 # via mp-api (pyproject.toml) -types-urllib3==1.26.25.14 - # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via + # anyio # bravado # emmet-core # fastapi # inflect - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # swagger-spec-validator - # torch # uvicorn -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 + # types-requests +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp # The following packages are considered to be unsafe in a requirements file: # setuptools From c1d599567ae128eaf1d97e8d31ce5287209d32f9 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:50:47 +0000 Subject: [PATCH 5/9] Update ubuntu-latest dependencies for mp-api --- .../requirements-ubuntu-latest_py3.11.txt | 116 +++---- ...quirements-ubuntu-latest_py3.11_extras.txt | 325 ++++++------------ 2 files changed, 159 insertions(+), 282 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.11.txt b/requirements/requirements-ubuntu-latest_py3.11.txt index 5987add0f..0eef1f167 100644 --- a/requirements/requirements-ubuntu-latest_py3.11.txt +++ b/requirements/requirements-ubuntu-latest_py3.11.txt @@ -6,68 +6,66 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -75,27 +73,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -107,9 +105,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -118,7 +116,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -127,13 +125,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -141,25 +139,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -173,15 +171,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -190,19 +188,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -211,13 +209,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -225,11 +223,11 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # emmet-core # fastapi @@ -237,17 +235,17 @@ typing-extensions==4.8.0 # pydantic # pydantic-core # pydash -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/requirements-ubuntu-latest_py3.11_extras.txt b/requirements/requirements-ubuntu-latest_py3.11_extras.txt index 6cf00007a..9247ca46e 100644 --- a/requirements/requirements-ubuntu-latest_py3.11_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.11_extras.txt @@ -4,150 +4,116 @@ # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.11_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # triton - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.22.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -155,10 +121,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -175,34 +139,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -217,7 +175,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -226,7 +184,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -236,30 +194,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -267,57 +217,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-cublas-cu12==12.1.3.1 - # via - # nvidia-cudnn-cu12 - # nvidia-cusolver-cu12 - # torch -nvidia-cuda-cupti-cu12==12.1.105 - # via torch -nvidia-cuda-nvrtc-cu12==12.1.105 - # via torch -nvidia-cuda-runtime-cu12==12.1.105 - # via torch -nvidia-cudnn-cu12==8.9.2.26 - # via torch -nvidia-cufft-cu12==11.0.2.54 - # via torch -nvidia-curand-cu12==10.3.2.106 - # via torch -nvidia-cusolver-cu12==11.4.5.107 - # via torch -nvidia-cusparse-cu12==12.1.0.106 - # via - # nvidia-cusolver-cu12 - # torch -nvidia-ml-py3==7.352.0 - # via chgnet -nvidia-nccl-cu12==2.18.1 - # via torch -nvidia-nvjitlink-cu12==12.2.140 - # via - # nvidia-cusolver-cu12 - # nvidia-cusparse-cu12 -nvidia-nvtx-cu12==12.1.105 - # via torch -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -325,36 +238,32 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -pexpect==4.8.0 +pexpect==4.9.0 # via ipython -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian ptyprocess==0.7.0 # via pexpect pubchempy==1.0.4 @@ -366,39 +275,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -409,7 +316,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -419,17 +326,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -440,11 +347,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -455,11 +360,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -467,8 +371,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -478,15 +380,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -494,14 +396,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -511,9 +412,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -529,9 +428,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -541,7 +440,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -551,81 +450,61 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline -triton==2.1.0 - # via torch types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow -types-requests==2.31.0.6 +types-requests==2.31.0.20240218 # via mp-api (pyproject.toml) -types-urllib3==1.26.25.14 - # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # bravado # emmet-core # fastapi # inflect - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # swagger-spec-validator - # torch -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 + # types-requests +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp # The following packages are considered to be unsafe in a requirements file: # setuptools From 48b892e30eeea3587eaa55d75ed9345f99db41e1 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:50:54 +0000 Subject: [PATCH 6/9] Update ubuntu-latest dependencies for mp-api --- .../requirements-ubuntu-latest_py3.9.txt | 123 ++++--- ...equirements-ubuntu-latest_py3.9_extras.txt | 327 ++++++------------ 2 files changed, 165 insertions(+), 285 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.9.txt b/requirements/requirements-ubuntu-latest_py3.9.txt index 9d3e3c64f..3bd0d6599 100644 --- a/requirements/requirements-ubuntu-latest_py3.9.txt +++ b/requirements/requirements-ubuntu-latest_py3.9.txt @@ -6,74 +6,72 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via anyio -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests -importlib-metadata==6.8.0 +importlib-metadata==7.0.1 # via flask -importlib-resources==6.1.0 +importlib-resources==6.1.2 # via matplotlib itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -81,27 +79,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -113,9 +111,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -124,7 +122,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -133,13 +131,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -147,25 +145,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -179,15 +177,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -196,19 +194,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -217,13 +215,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -231,13 +229,14 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # aioitertools + # anyio # emmet-core # fastapi # mp-api (pyproject.toml) @@ -246,17 +245,17 @@ typing-extensions==4.8.0 # pydash # starlette # uvicorn -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==1.26.18 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask zipp==3.17.0 # via diff --git a/requirements/requirements-ubuntu-latest_py3.9_extras.txt b/requirements/requirements-ubuntu-latest_py3.9_extras.txt index 1ff4f4b0c..977b227bb 100644 --- a/requirements/requirements-ubuntu-latest_py3.9_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.9_extras.txt @@ -4,159 +4,125 @@ # # pip-compile --all-extras --output-file=requirements/requirements-ubuntu-latest_py3.9_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask # mongogrant # uvicorn -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via # anyio # ipython # pytest -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # triton - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl -importlib-metadata==6.8.0 +importlib-metadata==7.0.1 # via flask -importlib-resources==6.1.0 +importlib-resources==6.1.2 # via matplotlib inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.18.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -164,10 +130,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -184,34 +148,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -226,7 +184,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -235,7 +193,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -245,30 +203,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -276,57 +226,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-cublas-cu12==12.1.3.1 - # via - # nvidia-cudnn-cu12 - # nvidia-cusolver-cu12 - # torch -nvidia-cuda-cupti-cu12==12.1.105 - # via torch -nvidia-cuda-nvrtc-cu12==12.1.105 - # via torch -nvidia-cuda-runtime-cu12==12.1.105 - # via torch -nvidia-cudnn-cu12==8.9.2.26 - # via torch -nvidia-cufft-cu12==11.0.2.54 - # via torch -nvidia-curand-cu12==10.3.2.106 - # via torch -nvidia-cusolver-cu12==11.4.5.107 - # via torch -nvidia-cusparse-cu12==12.1.0.106 - # via - # nvidia-cusolver-cu12 - # torch -nvidia-ml-py3==7.352.0 - # via chgnet -nvidia-nccl-cu12==2.18.1 - # via torch -nvidia-nvjitlink-cu12==12.2.140 - # via - # nvidia-cusolver-cu12 - # nvidia-cusparse-cu12 -nvidia-nvtx-cu12==12.1.105 - # via torch -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -334,36 +247,32 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -pexpect==4.8.0 +pexpect==4.9.0 # via ipython -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian ptyprocess==0.7.0 # via pexpect pubchempy==1.0.4 @@ -375,39 +284,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -418,7 +325,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -428,17 +335,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -449,11 +356,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -464,11 +369,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -476,8 +380,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -487,15 +389,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -503,14 +405,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -520,9 +421,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -538,9 +437,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -550,7 +449,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -560,90 +459,72 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn tomli==2.0.1 # via # coverage # mypy # pytest -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline -triton==2.1.0 - # via torch types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow types-requests==2.31.0.6 # via mp-api (pyproject.toml) types-urllib3==1.26.25.14 # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # aioitertools + # anyio # bravado # emmet-core # fastapi # inflect # ipython - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # starlette # swagger-spec-validator - # torch # uvicorn -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==1.26.18 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp zipp==3.17.0 # via # importlib-metadata From a606e7779c6c2b5222459b686cb5a1544ec457b3 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:52:36 +0000 Subject: [PATCH 7/9] Update windows-latest dependencies for mp-api --- .../requirements-windows-latest_py3.10.txt | 119 ++++--- ...uirements-windows-latest_py3.10_extras.txt | 292 ++++++------------ 2 files changed, 162 insertions(+), 249 deletions(-) diff --git a/requirements/requirements-windows-latest_py3.10.txt b/requirements/requirements-windows-latest_py3.10.txt index f1d55f299..ab3fb9126 100644 --- a/requirements/requirements-windows-latest_py3.10.txt +++ b/requirements/requirements-windows-latest_py3.10.txt @@ -6,33 +6,31 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via @@ -43,37 +41,37 @@ colorama==0.4.6 # via # click # tqdm -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via anyio -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -81,27 +79,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -113,9 +111,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -124,7 +122,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -133,13 +131,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -147,25 +145,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -179,15 +177,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -196,19 +194,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -217,13 +215,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -231,12 +229,13 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via + # anyio # emmet-core # fastapi # mp-api (pyproject.toml) @@ -244,17 +243,17 @@ typing-extensions==4.8.0 # pydantic-core # pydash # uvicorn -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/requirements-windows-latest_py3.10_extras.txt b/requirements/requirements-windows-latest_py3.10_extras.txt index fefebfde8..3eab4eb30 100644 --- a/requirements/requirements-windows-latest_py3.10_extras.txt +++ b/requirements/requirements-windows-latest_py3.10_extras.txt @@ -4,70 +4,52 @@ # # pip-compile --all-extras --output-file=requirements/requirements-windows-latest_py3.10_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask @@ -79,85 +61,70 @@ colorama==0.4.6 # ipython # pytest # tqdm -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via # anyio # ipython # pytest -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.22.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -165,10 +132,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -185,34 +150,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -227,7 +186,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -236,7 +195,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -246,30 +205,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -277,26 +228,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-ml-py3==7.352.0 - # via chgnet -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -304,34 +249,30 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian pubchempy==1.0.4 # via robocrys pure-eval==0.2.2 @@ -341,39 +282,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -384,7 +323,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -394,17 +333,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -415,11 +354,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -430,11 +367,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -442,8 +378,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -453,15 +387,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -469,14 +403,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -486,9 +419,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -504,9 +435,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -516,7 +447,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -526,85 +457,68 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn tomli==2.0.1 # via # coverage # mypy # pytest -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow -types-requests==2.31.0.6 +types-requests==2.31.0.20240218 # via mp-api (pyproject.toml) -types-urllib3==1.26.25.14 - # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via + # anyio # bravado # emmet-core # fastapi # inflect - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # swagger-spec-validator - # torch # uvicorn -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 + # types-requests +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp # The following packages are considered to be unsafe in a requirements file: # setuptools From 9db8fddb48b48fc97539f0ba7378c2ac68bbc950 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:52:35 +0000 Subject: [PATCH 8/9] Update windows-latest dependencies for mp-api --- .../requirements-windows-latest_py3.11.txt | 116 ++++--- ...uirements-windows-latest_py3.11_extras.txt | 289 ++++++------------ 2 files changed, 158 insertions(+), 247 deletions(-) diff --git a/requirements/requirements-windows-latest_py3.11.txt b/requirements/requirements-windows-latest_py3.11.txt index f6d67f93d..dd8a20cf7 100644 --- a/requirements/requirements-windows-latest_py3.11.txt +++ b/requirements/requirements-windows-latest_py3.11.txt @@ -6,33 +6,31 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via @@ -43,35 +41,35 @@ colorama==0.4.6 # via # click # tqdm -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -79,27 +77,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -111,9 +109,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -122,7 +120,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -131,13 +129,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -145,25 +143,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -177,15 +175,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -194,19 +192,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -215,13 +213,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -229,11 +227,11 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # emmet-core # fastapi @@ -241,17 +239,17 @@ typing-extensions==4.8.0 # pydantic # pydantic-core # pydash -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask # The following packages are considered to be unsafe in a requirements file: diff --git a/requirements/requirements-windows-latest_py3.11_extras.txt b/requirements/requirements-windows-latest_py3.11_extras.txt index 7265d245d..87fcd77b5 100644 --- a/requirements/requirements-windows-latest_py3.11_extras.txt +++ b/requirements/requirements-windows-latest_py3.11_extras.txt @@ -4,70 +4,52 @@ # # pip-compile --all-extras --output-file=requirements/requirements-windows-latest_py3.11_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask @@ -79,80 +61,65 @@ colorama==0.4.6 # ipython # pytest # tqdm -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.22.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -160,10 +127,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -180,34 +145,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -222,7 +181,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -231,7 +190,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -241,30 +200,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -272,26 +223,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-ml-py3==7.352.0 - # via chgnet -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -299,34 +244,30 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian pubchempy==1.0.4 # via robocrys pure-eval==0.2.2 @@ -336,39 +277,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -379,7 +318,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -389,17 +328,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -410,11 +349,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -425,11 +362,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -437,8 +373,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -448,15 +382,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -464,14 +398,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -481,9 +414,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -499,9 +430,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -511,7 +442,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -521,79 +452,61 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow -types-requests==2.31.0.6 +types-requests==2.31.0.20240218 # via mp-api (pyproject.toml) -types-urllib3==1.26.25.14 - # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # bravado # emmet-core # fastapi # inflect - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # swagger-spec-validator - # torch -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==2.0.7 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 + # types-requests +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp # The following packages are considered to be unsafe in a requirements file: # setuptools From 4a3a831bfc17a50c490a903faf0e7210692ae0bf Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 27 Feb 2024 17:51:57 +0000 Subject: [PATCH 9/9] Update windows-latest dependencies for mp-api --- .../requirements-windows-latest_py3.9.txt | 123 ++++---- ...quirements-windows-latest_py3.9_extras.txt | 291 +++++++----------- 2 files changed, 164 insertions(+), 250 deletions(-) diff --git a/requirements/requirements-windows-latest_py3.9.txt b/requirements/requirements-windows-latest_py3.9.txt index 8ba9773c6..0a9fdd543 100644 --- a/requirements/requirements-windows-latest_py3.9.txt +++ b/requirements/requirements-windows-latest_py3.9.txt @@ -6,33 +6,31 @@ # aioitertools==0.11.0 # via maggma -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette -attrs==23.1.0 +anyio==4.3.0 + # via starlette +attrs==23.2.0 # via # jsonschema # referencing -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boto3==1.28.61 +boto3==1.34.50 # via maggma -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer -certifi==2023.7.22 +certifi==2024.2.2 # via requests cffi==1.16.0 # via # cryptography # pynacl -charset-normalizer==3.3.0 +charset-normalizer==3.3.2 # via requests click==8.1.7 # via @@ -43,41 +41,41 @@ colorama==0.4.6 # via # click # tqdm -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pymongo -emmet-core==0.69.6 +emmet-core==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via anyio -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -flask==3.0.0 +flask==3.0.2 # via mongogrant -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib -future==0.18.3 +future==1.0.0 # via uncertainties h11==0.14.0 # via uvicorn -idna==3.4 +idna==3.6 # via # anyio # requests -importlib-metadata==6.8.0 +importlib-metadata==7.0.1 # via flask -importlib-resources==6.1.0 +importlib-resources==6.1.2 # via matplotlib itsdangerous==2.1.2 # via flask -jinja2==3.1.2 +jinja2==3.1.3 # via flask jmespath==1.0.1 # via @@ -85,27 +83,27 @@ jmespath==1.0.1 # botocore joblib==1.3.2 # via pymatgen -jsonschema==4.19.1 +jsonschema==4.21.1 # via maggma -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matplotlib==3.8.0 +matplotlib==3.8.3 # via pymatgen mongogrant==0.3.3 # via maggma mongomock==4.1.2 # via maggma -monty==2023.9.25 +monty==2024.2.26 # via # emmet-core # maggma @@ -117,9 +115,9 @@ msgpack==1.0.7 # via # maggma # mp-api (pyproject.toml) -networkx==3.1 +networkx==3.2.1 # via pymatgen -numpy==1.26.0 +numpy==1.26.4 # via # contourpy # maggma @@ -128,7 +126,7 @@ numpy==1.26.0 # pymatgen # scipy # spglib -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via @@ -137,13 +135,13 @@ packaging==23.2 # plotly palettable==3.3.3 # via pymatgen -pandas==2.1.1 +pandas==2.2.1 # via pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel -pillow==10.0.1 +pillow==10.2.0 # via matplotlib -plotly==5.17.0 +plotly==5.19.0 # via pymatgen pybtex==0.24.0 # via @@ -151,25 +149,25 @@ pybtex==0.24.0 # pymatgen pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via # emmet-core # mp-api (pyproject.toml) -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # mongogrant @@ -183,15 +181,15 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytz==2023.3.post1 +pytz==2024.1 # via pandas pyyaml==6.0.1 # via pybtex -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -200,19 +198,19 @@ requests==2.31.0 # mongogrant # mp-api (pyproject.toml) # pymatgen -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # maggma # pymatgen ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scipy==1.11.3 +scipy==1.12.0 # via pymatgen sentinels==1.0.0 # via mongomock @@ -221,13 +219,13 @@ six==1.16.0 # latexcodec # pybtex # python-dateutil -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via pymatgen sshtunnel==0.4.0 # via maggma -starlette==0.27.0 +starlette==0.36.3 # via fastapi sympy==1.12 # via pymatgen @@ -235,13 +233,14 @@ tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -tqdm==4.66.1 +tqdm==4.66.2 # via # maggma # pymatgen -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # aioitertools + # anyio # emmet-core # fastapi # mp-api (pyproject.toml) @@ -250,17 +249,17 @@ typing-extensions==4.8.0 # pydash # starlette # uvicorn -tzdata==2023.3 +tzdata==2024.1 # via pandas uncertainties==3.1.7 # via pymatgen -urllib3==1.26.17 +urllib3==1.26.18 # via # botocore # requests -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask zipp==3.17.0 # via diff --git a/requirements/requirements-windows-latest_py3.9_extras.txt b/requirements/requirements-windows-latest_py3.9_extras.txt index ad795fc48..e86af1b91 100644 --- a/requirements/requirements-windows-latest_py3.9_extras.txt +++ b/requirements/requirements-windows-latest_py3.9_extras.txt @@ -4,70 +4,52 @@ # # pip-compile --all-extras --output-file=requirements/requirements-windows-latest_py3.9_extras.txt pyproject.toml # -aiohttp==3.8.5 - # via fsspec aioitertools==0.11.0 # via maggma -aiosignal==1.3.1 - # via aiohttp -annotated-types==0.5.0 +annotated-types==0.6.0 # via pydantic -anyio==3.7.1 - # via - # fastapi - # starlette +anyio==4.3.0 + # via starlette arrow==1.3.0 # via isoduration ase==3.22.1 - # via - # chgnet - # matcalc - # matgl -asttokens==2.4.0 + # via matcalc +asttokens==2.4.1 # via stack-data -async-timeout==4.0.3 - # via aiohttp -attrs==23.1.0 +attrs==23.2.0 # via - # aiohttp # jsonschema # referencing -backcall==0.2.0 - # via ipython -bcrypt==4.0.1 +bcrypt==4.1.2 # via paramiko -blinker==1.6.2 +blinker==1.7.0 # via flask -boltons==23.0.0 +boltons==23.1.1 # via mpcontribs-client -boto3==1.28.61 +boto3==1.34.50 # via # maggma # mp-api (pyproject.toml) -botocore==1.31.61 +botocore==1.34.50 # via # boto3 # s3transfer bravado==11.0.3 # via mpcontribs-client -bravado-core==6.1.0 +bravado-core==6.1.1 # via bravado -certifi==2023.7.22 - # via - # requests - # sentry-sdk +cachetools==5.3.3 + # via mpcontribs-client +certifi==2024.2.2 + # via requests cffi==1.16.0 # via # cryptography # pynacl cfgv==3.4.0 # via pre-commit -charset-normalizer==3.3.0 - # via - # aiohttp - # requests -chgnet==0.2.1 - # via emmet-core +charset-normalizer==3.3.2 + # via requests click==8.1.7 # via # flask @@ -79,89 +61,74 @@ colorama==0.4.6 # ipython # pytest # tqdm -contourpy==1.1.1 +contourpy==1.2.0 # via matplotlib -coverage[toml]==7.3.2 +coverage[toml]==7.4.3 # via pytest-cov -cryptography==41.0.4 +cryptography==42.0.5 # via paramiko -custodian==2023.7.22 +custodian==2024.2.15 # via mp-api (pyproject.toml) -cycler==0.12.0 +cycler==0.12.1 # via matplotlib -cython==3.0.3 - # via chgnet decorator==5.1.1 # via ipython -dgl==1.1.2 - # via matgl -distlib==0.3.7 +distlib==0.3.8 # via virtualenv -dnspython==2.4.2 +dnspython==2.6.1 # via # maggma # pyisemail # pymongo -emmet-core[all]==0.69.6 +emmet-core[all]==0.78.0rc4 # via mp-api (pyproject.toml) -exceptiongroup==1.1.3 +exceptiongroup==1.2.0 # via # anyio # ipython # pytest -executing==2.0.0 +executing==2.0.1 # via stack-data -fastapi==0.103.2 +fastapi==0.110.0 # via maggma -filelock==3.12.4 - # via - # torch - # virtualenv +filelock==3.13.1 + # via virtualenv filetype==1.2.0 # via mpcontribs-client -flake8==6.1.0 +flake8==7.0.0 # via mp-api (pyproject.toml) -flask==3.0.0 +flask==3.0.2 # via mongogrant flatten-dict==0.4.2 # via mpcontribs-client -fonttools==4.43.1 +fonttools==4.49.0 # via matplotlib fqdn==1.5.1 # via jsonschema -frozenlist==1.4.0 - # via - # aiohttp - # aiosignal -fsspec[http]==2023.9.2 - # via - # pytorch-lightning - # torch -future==0.18.3 +future==1.0.0 # via # matminer # uncertainties h11==0.14.0 # via uvicorn -h5py==3.9.0 +h5py==3.10.0 # via phonopy -identify==2.5.30 +identify==2.5.35 # via pre-commit -idna==3.4 +idna==3.6 # via # anyio # jsonschema # requests - # yarl -importlib-metadata==6.8.0 +importlib-metadata==7.0.1 # via flask -importlib-resources==6.1.0 +importlib-resources==6.1.2 # via matplotlib inflect==7.0.0 # via robocrys iniconfig==2.0.0 # via pytest -ipython==8.16.1 +ipython==8.18.1 # via mpcontribs-client isoduration==20.11.0 # via jsonschema @@ -169,10 +136,8 @@ itsdangerous==2.1.2 # via flask jedi==0.19.1 # via ipython -jinja2==3.1.2 - # via - # flask - # torch +jinja2==3.1.3 + # via flask jmespath==1.0.1 # via # boto3 @@ -189,34 +154,28 @@ jsonpointer==2.4 # via jsonschema jsonref==1.1.0 # via bravado-core -jsonschema[format]==4.19.1 +jsonschema[format-nongpl]==4.21.1 # via # bravado-core # maggma # swagger-spec-validator -jsonschema-specifications==2023.7.1 +jsonschema-specifications==2023.12.1 # via jsonschema kiwisolver==1.4.5 # via matplotlib latexcodec==2.0.1 # via pybtex -lightning-utilities==0.9.0 - # via - # pytorch-lightning - # torchmetrics -maggma==0.57.1 +maggma==0.63.3 # via mp-api (pyproject.toml) -markupsafe==2.1.3 +markupsafe==2.1.5 # via # jinja2 # werkzeug -matcalc==0.0.3 - # via emmet-core -matgl==0.8.5 +matcalc==0.0.4 # via emmet-core matminer==0.9.0 # via robocrys -matplotlib==3.8.0 +matplotlib==3.8.3 # via # ase # phonopy @@ -231,7 +190,7 @@ mongomock==4.1.2 # via maggma monotonic==1.6 # via bravado -monty==2023.9.25 +monty==2024.2.26 # via # custodian # emmet-core @@ -240,7 +199,7 @@ monty==2023.9.25 # mp-api (pyproject.toml) # pymatgen # robocrys -mpcontribs-client==5.5.1 +mpcontribs-client==5.7.0 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy @@ -250,30 +209,22 @@ msgpack==1.0.7 # bravado-core # maggma # mp-api (pyproject.toml) -multidict==6.0.4 - # via - # aiohttp - # yarl -mypy==1.5.1 +mypy==1.8.0 # via mp-api (pyproject.toml) mypy-extensions==1.0.0 # via # mp-api (pyproject.toml) # mypy -networkx==3.1 +networkx==3.2.1 # via - # dgl # pymatgen # robocrys - # torch nodeenv==1.8.0 # via pre-commit -numpy==1.26.0 +numpy==1.26.4 # via # ase - # chgnet # contourpy - # dgl # h5py # maggma # matminer @@ -281,26 +232,20 @@ numpy==1.26.0 # pandas # phonopy # pymatgen - # pytorch-lightning # robocrys # scikit-learn # scipy # seekpath # shapely # spglib - # torchmetrics -nvidia-ml-py3==7.352.0 - # via chgnet -orjson==3.9.7 +orjson==3.9.15 # via maggma packaging==23.2 # via - # lightning-utilities # matplotlib # mongomock # plotly # pytest - # pytorch-lightning palettable==3.3.3 # via pymatgen pandas==1.5.3 @@ -308,34 +253,30 @@ pandas==1.5.3 # matminer # mpcontribs-client # pymatgen -paramiko==3.3.1 +paramiko==3.4.0 # via sshtunnel parso==0.8.3 # via jedi -phonopy==2.20.0 +phonopy==2.21.2 # via matcalc -pickleshare==0.7.5 - # via ipython -pillow==10.0.1 +pillow==10.2.0 # via matplotlib pint==0.19.2 # via mpcontribs-client -platformdirs==3.11.0 +platformdirs==4.2.0 # via virtualenv -plotly==5.17.0 +plotly==5.19.0 # via # mpcontribs-client # pymatgen -pluggy==1.3.0 +pluggy==1.4.0 # via pytest -pre-commit==3.4.0 +pre-commit==3.6.2 # via mp-api (pyproject.toml) -prompt-toolkit==3.0.39 +prompt-toolkit==3.0.43 # via ipython -psutil==5.9.5 - # via - # custodian - # dgl +psutil==5.9.8 + # via custodian pubchempy==1.0.4 # via robocrys pure-eval==0.2.2 @@ -345,39 +286,37 @@ pybtex==0.24.0 # emmet-core # pymatgen # robocrys -pycodestyle==2.11.0 +pycodestyle==2.11.1 # via # flake8 # mp-api (pyproject.toml) pycparser==2.21 # via cffi -pydantic==2.4.2 +pydantic==2.6.2 # via # emmet-core # fastapi # inflect # maggma # pydantic-settings -pydantic-core==2.10.1 +pydantic-core==2.16.3 # via pydantic -pydantic-settings==2.0.3 +pydantic-settings==2.2.1 # via # emmet-core # maggma -pydash==7.0.6 +pydash==7.0.7 # via maggma -pyflakes==3.1.0 +pyflakes==3.2.0 # via flake8 -pygments==2.16.1 +pygments==2.17.2 # via ipython pyisemail==2.0.1 # via mpcontribs-client -pymatgen==2023.10.4 +pymatgen==2024.2.23 # via - # chgnet # emmet-core # matcalc - # matgl # matminer # mp-api (pyproject.toml) # mpcontribs-client @@ -388,7 +327,7 @@ pymatgen-analysis-alloys==0.0.6 # via emmet-core pymatgen-analysis-diffusion==2023.8.15 # via emmet-core -pymongo==4.5.0 +pymongo==4.6.2 # via # maggma # matminer @@ -398,17 +337,17 @@ pynacl==1.5.0 # via paramiko pyparsing==3.1.1 # via matplotlib -pytest==7.4.2 +pytest==8.0.2 # via # mp-api (pyproject.toml) # pytest-asyncio # pytest-cov # pytest-mock -pytest-asyncio==0.21.1 +pytest-asyncio==0.23.5 # via mp-api (pyproject.toml) pytest-cov==4.1.0 # via mp-api (pyproject.toml) -pytest-mock==3.11.1 +pytest-mock==3.12.0 # via mp-api (pyproject.toml) python-dateutil==2.8.2 # via @@ -419,11 +358,9 @@ python-dateutil==2.8.2 # maggma # matplotlib # pandas -python-dotenv==1.0.0 +python-dotenv==1.0.1 # via pydantic-settings -pytorch-lightning==2.0.9.post0 - # via matgl -pytz==2023.3.post1 +pytz==2024.1 # via # bravado-core # pandas @@ -434,11 +371,10 @@ pyyaml==6.0.1 # phonopy # pre-commit # pybtex - # pytorch-lightning # swagger-spec-validator -pyzmq==25.1.1 +pyzmq==25.1.2 # via maggma -referencing==0.30.2 +referencing==0.33.0 # via # jsonschema # jsonschema-specifications @@ -446,8 +382,6 @@ requests==2.31.0 # via # bravado # bravado-core - # dgl - # fsspec # matminer # mongogrant # mp-api (pyproject.toml) @@ -457,15 +391,15 @@ requests-futures==1.0.1 # via mpcontribs-client rfc3339-validator==0.1.4 # via jsonschema -rfc3987==1.3.8 +rfc3986-validator==0.1.1 # via jsonschema robocrys==0.2.8 # via emmet-core -rpds-py==0.10.4 +rpds-py==0.18.0 # via # jsonschema # referencing -ruamel-yaml==0.17.35 +ruamel-yaml==0.17.40 # via # custodian # maggma @@ -473,14 +407,13 @@ ruamel-yaml==0.17.35 # robocrys ruamel-yaml-clib==0.2.8 # via ruamel-yaml -s3transfer==0.7.0 +s3transfer==0.10.0 # via boto3 -scikit-learn==1.3.1 +scikit-learn==1.4.1.post1 # via matminer -scipy==1.11.3 +scipy==1.12.0 # via # ase - # dgl # pymatgen # robocrys # scikit-learn @@ -490,9 +423,7 @@ semantic-version==2.10.0 # via mpcontribs-client sentinels==1.0.0 # via mongomock -sentry-sdk==1.31.0 - # via custodian -shapely==2.0.1 +shapely==2.0.3 # via pymatgen-analysis-alloys simplejson==3.19.2 # via @@ -508,9 +439,9 @@ six==1.16.0 # pybtex # python-dateutil # rfc3339-validator -sniffio==1.3.0 +sniffio==1.3.1 # via anyio -spglib==2.1.0 +spglib==2.3.1 # via # phonopy # pymatgen @@ -520,7 +451,7 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -starlette==0.27.0 +starlette==0.36.3 # via fastapi swagger-spec-validator==3.0.3 # via @@ -530,88 +461,72 @@ sympy==1.12 # via # matminer # pymatgen - # torch tabulate==0.9.0 # via pymatgen tenacity==8.2.3 # via plotly -threadpoolctl==3.2.0 +threadpoolctl==3.3.0 # via scikit-learn tomli==2.0.1 # via # coverage # mypy # pytest -torch==2.1.0 - # via - # chgnet - # matgl - # pytorch-lightning - # torchmetrics -torchmetrics==1.2.0 - # via pytorch-lightning -tqdm==4.66.1 +tqdm==4.66.2 # via - # dgl # maggma # matminer # mpcontribs-client # pymatgen - # pytorch-lightning -traitlets==5.11.2 +traitlets==5.14.1 # via # ipython # matplotlib-inline types-pkg-resources==0.1.3 # via mp-api (pyproject.toml) -types-python-dateutil==2.8.19.14 +types-python-dateutil==2.8.19.20240106 # via arrow types-requests==2.31.0.6 # via mp-api (pyproject.toml) types-urllib3==1.26.25.14 # via types-requests -typing-extensions==4.8.0 +typing-extensions==4.10.0 # via # aioitertools + # anyio # bravado # emmet-core # fastapi # inflect # ipython - # lightning-utilities # mp-api (pyproject.toml) # mypy # pydantic # pydantic-core # pydash - # pytorch-lightning # starlette # swagger-spec-validator - # torch # uvicorn -ujson==5.8.0 +ujson==5.9.0 # via mpcontribs-client uncertainties==3.1.7 # via pymatgen uri-template==1.3.0 # via jsonschema -urllib3==1.26.17 +urllib3==1.26.18 # via # botocore # requests - # sentry-sdk -uvicorn==0.23.2 +uvicorn==0.27.1 # via maggma -virtualenv==20.24.5 +virtualenv==20.25.1 # via pre-commit -wcwidth==0.2.8 +wcwidth==0.2.13 # via prompt-toolkit webcolors==1.13 # via jsonschema -werkzeug==3.0.0 +werkzeug==3.0.1 # via flask -yarl==1.9.2 - # via aiohttp zipp==3.17.0 # via # importlib-metadata