From 2a5f0eaa0a7b173a82a3857ac34db8f93e548d87 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 3 Dec 2024 20:09:36 +0000 Subject: [PATCH] update dependencies for emmet-core (ubuntu-latest/py3.11) --- .../requirements/ubuntu-latest_py3.11.txt | 14 +-- .../ubuntu-latest_py3.11_extras.txt | 88 +++++++++++-------- 2 files changed, 58 insertions(+), 44 deletions(-) diff --git a/emmet-core/requirements/ubuntu-latest_py3.11.txt b/emmet-core/requirements/ubuntu-latest_py3.11.txt index 6b99cc4ec0..2d9da144eb 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.11.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.11.txt @@ -10,11 +10,11 @@ certifi==2024.8.30 # via requests charset-normalizer==3.4.0 # via requests -contourpy==1.3.0 +contourpy==1.3.1 # via matplotlib cycler==0.12.1 # via matplotlib -fonttools==4.54.1 +fonttools==4.55.1 # via matplotlib idna==3.10 # via requests @@ -24,7 +24,7 @@ kiwisolver==1.4.7 # via matplotlib latexcodec==3.0.0 # via pybtex -matplotlib==3.9.2 +matplotlib==3.9.3 # via pymatgen monty==2024.10.21 # via @@ -60,15 +60,15 @@ pybtex==0.24.0 # via # emmet-core (setup.py) # pymatgen -pydantic==2.9.2 +pydantic==2.10.3 # via # emmet-core (setup.py) # pydantic-settings -pydantic-core==2.23.4 +pydantic-core==2.27.1 # via pydantic pydantic-settings==2.6.1 # via emmet-core (setup.py) -pymatgen==2024.10.29 +pymatgen==2024.11.13 # via emmet-core (setup.py) pyparsing==3.2.0 # via matplotlib @@ -104,7 +104,7 @@ tabulate==0.9.0 # via pymatgen tenacity==9.0.0 # via plotly -tqdm==4.67.0 +tqdm==4.67.1 # via pymatgen typing-extensions==4.12.2 # via diff --git a/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt b/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt index 1d0302e065..5323511a10 100644 --- a/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt +++ b/emmet-core/requirements/ubuntu-latest_py3.11_extras.txt @@ -4,9 +4,9 @@ # # pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.11_extras.txt # -aiohappyeyeballs==2.4.3 +aiohappyeyeballs==2.4.4 # via aiohttp -aiohttp==3.10.10 +aiohttp==3.11.9 # via fsspec aioitertools==0.12.0 # via maggma @@ -26,11 +26,11 @@ attrs==24.2.0 # jsonlines # jsonschema # referencing -bcrypt==4.2.0 +bcrypt==4.2.1 # via paramiko -boto3==1.35.57 +boto3==1.35.73 # via maggma -botocore==1.35.57 +botocore==1.35.73 # via # boto3 # s3transfer @@ -54,11 +54,11 @@ click==8.1.7 # mkdocstrings colorama==0.4.6 # via griffe -contourpy==1.3.0 +contourpy==1.3.1 # via matplotlib -coverage[toml]==7.6.4 +coverage[toml]==7.6.8 # via pytest-cov -cryptography==43.0.3 +cryptography==44.0.0 # via paramiko csscompressor==0.9.5 # via mkdocs-minify-plugin @@ -78,7 +78,7 @@ dnspython==2.7.0 # via # maggma # pymongo -emmet-core==0.84.3rc3 +emmet-core==0.84.3rc4 # via mp-api fasteners==0.19 # via mdanalysis @@ -89,7 +89,7 @@ filelock==3.16.1 # virtualenv flake8==7.1.1 # via emmet-core (setup.py) -fonttools==4.54.1 +fonttools==4.55.1 # via matplotlib frozenlist==1.5.0 # via @@ -110,13 +110,13 @@ h5py==3.12.1 # via phonopy htmlmin2==0.1.13 # via mkdocs-minify-plugin -identify==2.6.2 +identify==2.6.3 # via pre-commit idna==3.10 # via # requests # yarl -imageio==2.36.0 +imageio==2.36.1 # via scikit-image inflect==7.4.0 # via robocrys @@ -156,7 +156,7 @@ lazy-loader==0.4 # via scikit-image lightning==2.4.0 # via matgl -lightning-utilities==0.11.8 +lightning-utilities==0.11.9 # via # lightning # pytorch-lightning @@ -184,10 +184,11 @@ matgl==1.1.3 # via emmet-core (setup.py) matminer==0.9.3 # via robocrys -matplotlib==3.9.2 +matplotlib==3.9.3 # via # ase # mdanalysis + # pathsimanalysis # phonopy # pymatgen # seaborn @@ -196,10 +197,15 @@ mccabe==0.7.0 # via flake8 mda-xdrlib==0.2.0 # via mdanalysis -mdanalysis==2.7.0 +mdahole2==0.5.0 + # via mdanalysis +mdanalysis==2.8.0 # via # emmet-core (setup.py) + # mdahole2 + # pathsimanalysis # solvation-analysis + # waterdynamics mergedeep==1.3.4 # via # mkdocs @@ -239,7 +245,7 @@ mkdocstrings-python==1.12.2 # via mkdocstrings mmtf-python==1.1.3 # via mdanalysis -mongomock==4.2.0.post1 +mongomock==4.3.0 # via maggma monty==2024.10.21 # via @@ -253,7 +259,7 @@ monty==2024.10.21 # robocrys more-itertools==10.5.0 # via inflect -mp-api==0.42.2 +mp-api==0.43.0 # via robocrys mp-pyrho==0.4.5 # via pymatgen-analysis-defects @@ -305,6 +311,7 @@ numpy==1.26.4 # monty # mrcfile # pandas + # pathsimanalysis # patsy # phonopy # pymatgen @@ -324,6 +331,7 @@ numpy==1.26.4 # symfc # tifffile # torchmetrics + # waterdynamics nvidia-cublas-cu12==12.4.5.8 # via # nvidia-cudnn-cu12 @@ -358,7 +366,7 @@ nvidia-nvjitlink-cu12==12.4.127 # torch nvidia-nvtx-cu12==12.4.127 # via torch -orjson==3.10.11 +orjson==3.10.12 # via maggma packaging==24.2 # via @@ -387,11 +395,13 @@ pandas==2.2.3 # statsmodels paramiko==3.5.0 # via sshtunnel +pathsimanalysis==1.2.0 + # via mdanalysis pathspec==0.12.1 # via mkdocs -patsy==0.5.6 +patsy==1.0.1 # via statsmodels -phonopy==2.30.0 +phonopy==2.31.2 # via matcalc pillow==11.0.0 # via @@ -412,8 +422,10 @@ pluggy==1.5.0 # via pytest pre-commit==4.0.1 # via emmet-core (setup.py) -propcache==0.2.0 - # via yarl +propcache==0.2.1 + # via + # aiohttp + # yarl psutil==6.1.0 # via # custodian @@ -432,14 +444,14 @@ pycodestyle==2.12.1 # flake8 pycparser==2.22 # via cffi -pydantic==2.9.2 +pydantic==2.10.3 # via # emmet-core # emmet-core (setup.py) # maggma # matgl # pydantic-settings -pydantic-core==2.23.4 +pydantic-core==2.27.1 # via pydantic pydantic-settings==2.6.1 # via @@ -454,7 +466,7 @@ pyflakes==3.2.0 # via flake8 pygments==2.18.0 # via mkdocs-material -pymatgen==2024.10.29 +pymatgen==2024.11.13 # via # chgnet # emmet-core @@ -486,7 +498,7 @@ pynacl==1.5.0 # via paramiko pyparsing==3.2.0 # via matplotlib -pytest==8.3.3 +pytest==8.3.4 # via # emmet-core (setup.py) # pytest-cov @@ -539,7 +551,7 @@ requests==2.32.3 # torchdata robocrys==0.2.10 # via emmet-core (setup.py) -rpds-py==0.21.0 +rpds-py==0.22.1 # via # jsonschema # referencing @@ -552,7 +564,7 @@ ruamel-yaml==0.18.6 # robocrys ruamel-yaml-clib==0.2.12 # via ruamel-yaml -s3transfer==0.10.3 +s3transfer==0.10.4 # via boto3 scikit-image==0.24.0 # via pymatgen-analysis-defects @@ -564,6 +576,7 @@ scipy==1.14.1 # dgl # griddataformats # mdanalysis + # pathsimanalysis # phonopy # pymatgen # robocrys @@ -582,7 +595,6 @@ shapely==2.0.6 # via pymatgen-analysis-alloys six==1.16.0 # via - # patsy # pybtex # python-dateutil smart-open==7.0.5 @@ -602,7 +614,7 @@ sshtunnel==0.4.0 # via maggma statsmodels==0.14.4 # via solvation-analysis -symfc==1.1.5 +symfc==1.1.6 # via phonopy sympy==1.13.1 # via @@ -631,13 +643,13 @@ torchdata==0.7.1 # via # dgl # matgl -torchmetrics==1.5.2 +torchmetrics==1.6.0 # via # lightning # pytorch-lightning -tornado==6.4.1 +tornado==6.4.2 # via livereload -tqdm==4.67.0 +tqdm==4.67.1 # via # dgl # lightning @@ -652,7 +664,7 @@ typeguard==4.4.1 # via inflect types-requests==2.32.0.20241016 # via emmet-core (setup.py) -types-setuptools==75.3.0.20241107 +types-setuptools==75.6.0.20241126 # via emmet-core (setup.py) typing-extensions==4.12.2 # via @@ -679,17 +691,19 @@ urllib3==2.2.3 # requests # torchdata # types-requests -virtualenv==20.27.1 +virtualenv==20.28.0 # via pre-commit watchdog==6.0.0 # via mkdocs +waterdynamics==1.2.0 + # via mdanalysis wcmatch==10.0 # via mkdocs-awesome-pages-plugin wincertstore==0.2.1 # via emmet-core (setup.py) -wrapt==1.16.0 +wrapt==1.17.0 # via smart-open -yarl==1.17.1 +yarl==1.18.3 # via aiohttp # The following packages are considered to be unsafe in a requirements file: