From 1ea1bedc75a9edd15edbb4313954969449e91fce Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 16 Sep 2025 21:56:51 +0000 Subject: [PATCH 1/2] Update ubuntu-latest dependencies for mp-api --- .../requirements-ubuntu-latest_py3.11.txt | 12 ++-- ...quirements-ubuntu-latest_py3.11_extras.txt | 71 +++---------------- 2 files changed, 17 insertions(+), 66 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.11.txt b/requirements/requirements-ubuntu-latest_py3.11.txt index f624f0b93..60e189a27 100644 --- a/requirements/requirements-ubuntu-latest_py3.11.txt +++ b/requirements/requirements-ubuntu-latest_py3.11.txt @@ -17,9 +17,11 @@ bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen -boto3==1.40.31 +blake3==1.0.5 + # via emmet-core +boto3==1.40.32 # via maggma -botocore==1.40.31 +botocore==1.40.32 # via # boto3 # s3transfer @@ -33,7 +35,7 @@ charset-normalizer==3.4.3 # via requests contourpy==1.3.3 # via matplotlib -cryptography==45.0.7 +cryptography==46.0.0 # via paramiko cycler==0.12.1 # via matplotlib @@ -41,7 +43,7 @@ dnspython==2.8.0 # via # maggma # pymongo -emmet-core==0.84.10rc2 +emmet-core==0.85.0rc0 # via mp-api (pyproject.toml) fonttools==4.59.2 # via matplotlib @@ -143,7 +145,7 @@ pymatgen==2025.6.14 # emmet-core # mp-api (pyproject.toml) # pymatgen-io-validation -pymatgen-io-validation==0.1.1 +pymatgen-io-validation==0.1.2 # via emmet-core pymongo==4.10.1 # via maggma diff --git a/requirements/requirements-ubuntu-latest_py3.11_extras.txt b/requirements/requirements-ubuntu-latest_py3.11_extras.txt index a6ef0f277..8889b3ac5 100644 --- a/requirements/requirements-ubuntu-latest_py3.11_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.11_extras.txt @@ -27,13 +27,15 @@ bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen +blake3==1.0.5 + # via emmet-core boltons==25.0.0 # via mpcontribs-client -boto3==1.40.31 +boto3==1.40.32 # via # maggma # mp-api (pyproject.toml) -botocore==1.40.31 +botocore==1.40.32 # via # boto3 # s3transfer @@ -57,7 +59,7 @@ contourpy==1.3.3 # via matplotlib coverage[toml]==7.10.6 # via pytest-cov -cryptography==45.0.7 +cryptography==46.0.0 # via paramiko custodian==2025.8.13 # via mp-api (pyproject.toml) @@ -74,16 +76,14 @@ dnspython==2.8.0 # pymongo docutils==0.21.2 # via sphinx -emmet-core[all]==0.84.10rc2 +emmet-core[all]==0.85.0rc0 # via mp-api (pyproject.toml) execnet==2.1.1 # via pytest-xdist executing==2.2.1 # via stack-data filelock==3.19.1 - # via - # mdanalysis - # virtualenv + # via virtualenv filetype==1.2.0 # via mpcontribs-client flake8==7.3.0 @@ -98,8 +98,6 @@ fonttools==4.59.2 # via matplotlib fqdn==1.5.1 # via jsonschema -griddataformats==1.0.2 - # via mdanalysis identify==2.6.14 # via pre-commit idna==3.10 @@ -134,7 +132,6 @@ jmespath==1.0.1 # botocore joblib==1.5.2 # via - # mdanalysis # pymatgen # pymatgen-analysis-diffusion # scikit-learn @@ -170,23 +167,12 @@ matminer==0.9.3 matplotlib==3.10.6 # via # ase - # mdanalysis # pymatgen # seaborn - # solvation-analysis matplotlib-inline==0.1.7 # via ipython mccabe==0.7.0 # via flake8 -mda-xdrlib==0.2.0 - # via mdanalysis -mdanalysis==2.9.0 - # via - # emmet-core - # solvation-analysis - # transport-analysis -mmtf-python==1.1.3 - # via mdanalysis mongomock==4.3.0 # via maggma monotonic==1.6 @@ -208,14 +194,11 @@ mpcontribs-client==5.10.4 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy -mrcfile==1.5.4 - # via griddataformats msgpack==1.1.1 # via # bravado # bravado-core # maggma - # mmtf-python # mp-api (pyproject.toml) mypy==1.18.1 # via mp-api (pyproject.toml) @@ -236,22 +219,17 @@ numpy==1.26.4 # via # ase # contourpy - # griddataformats # imageio # maggma # matminer # matplotlib - # mdanalysis # monty # mpcontribs-client - # mrcfile # pandas - # patsy # pymatgen # pymatgen-analysis-defects # pymatgen-analysis-diffusion # pymatgen-io-validation - # rdkit # robocrys # scikit-image # scikit-learn @@ -259,10 +237,7 @@ numpy==1.26.4 # seaborn # seekpath # shapely - # solvation-analysis # spglib - # statsmodels - # tidynamics # tifffile orjson==3.11.3 # via @@ -272,13 +247,11 @@ packaging==25.0 # via # lazy-loader # matplotlib - # mdanalysis # mongomock # plotly # pytest # scikit-image # sphinx - # statsmodels palettable==3.3.3 # via pymatgen pandas==2.3.2 @@ -288,23 +261,18 @@ pandas==2.3.2 # mpcontribs-client # pymatgen # seaborn - # solvation-analysis - # statsmodels paramiko==4.0.0 # via sshtunnel parso==0.8.5 # via jedi pathspec==0.12.1 # via mypy -patsy==1.0.1 - # via statsmodels pexpect==4.9.0 # via ipython pillow==11.3.0 # via # imageio # matplotlib - # rdkit # scikit-image pint==0.25 # via mpcontribs-client @@ -316,7 +284,6 @@ plotly==6.3.0 # via # mpcontribs-client # pymatgen - # solvation-analysis pluggy==1.6.0 # via # pytest @@ -388,7 +355,7 @@ pymatgen-analysis-defects==2025.1.18 # via emmet-core pymatgen-analysis-diffusion==2024.7.15 # via emmet-core -pymatgen-io-validation==0.1.1 +pymatgen-io-validation==0.1.2 # via emmet-core pymongo==4.10.1 # via @@ -408,12 +375,11 @@ pytest==8.4.2 # pytest-cov # pytest-mock # pytest-xdist - # solvation-analysis pytest-asyncio==1.2.0 # via mp-api (pyproject.toml) pytest-cov==7.0.0 # via mp-api (pyproject.toml) -pytest-mock==3.15.0 +pytest-mock==3.15.1 # via mp-api (pyproject.toml) pytest-xdist==3.8.0 # via mp-api (pyproject.toml) @@ -442,8 +408,6 @@ pyyaml==6.0.2 # swagger-spec-validator pyzmq==27.1.0 # via maggma -rdkit==2025.3.6 - # via solvation-analysis referencing==0.36.2 # via # jsonschema @@ -492,14 +456,10 @@ scikit-learn==1.7.2 scipy==1.16.2 # via # ase - # griddataformats - # mdanalysis # pymatgen # robocrys # scikit-image # scikit-learn - # solvation-analysis - # statsmodels seaborn==0.13.2 # via pymatgen-analysis-diffusion seekpath==2.1.0 @@ -525,8 +485,6 @@ smart-open==7.3.1 # via mp-api (pyproject.toml) snowballstemmer==3.0.1 # via sphinx -solvation-analysis==0.4.1 - # via emmet-core spglib==2.6.0 # via # pymatgen @@ -550,8 +508,6 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -statsmodels==0.14.5 - # via solvation-analysis swagger-spec-validator==3.0.4 # via # bravado-core @@ -563,26 +519,19 @@ sympy==1.14.0 tabulate==0.9.0 # via pymatgen threadpoolctl==3.6.0 - # via - # mdanalysis - # scikit-learn -tidynamics==1.1.2 - # via transport-analysis + # via scikit-learn tifffile==2025.9.9 # via scikit-image tqdm==4.67.1 # via # maggma # matminer - # mdanalysis # mpcontribs-client # pymatgen traitlets==5.14.3 # via # ipython # matplotlib-inline -transport-analysis==0.1.2 - # via emmet-core typeguard==4.4.4 # via inflect types-python-dateutil==2.9.0.20250822 From 4b5f33498cd26131c1ab020589f5ae53491f1348 Mon Sep 17 00:00:00 2001 From: github-actions Date: Tue, 16 Sep 2025 21:56:49 +0000 Subject: [PATCH 2/2] Update ubuntu-latest dependencies for mp-api --- .../requirements-ubuntu-latest_py3.12.txt | 12 ++-- ...quirements-ubuntu-latest_py3.12_extras.txt | 71 +++---------------- 2 files changed, 17 insertions(+), 66 deletions(-) diff --git a/requirements/requirements-ubuntu-latest_py3.12.txt b/requirements/requirements-ubuntu-latest_py3.12.txt index 272f068a4..26b7a348a 100644 --- a/requirements/requirements-ubuntu-latest_py3.12.txt +++ b/requirements/requirements-ubuntu-latest_py3.12.txt @@ -17,9 +17,11 @@ bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen -boto3==1.40.31 +blake3==1.0.5 + # via emmet-core +boto3==1.40.32 # via maggma -botocore==1.40.31 +botocore==1.40.32 # via # boto3 # s3transfer @@ -33,7 +35,7 @@ charset-normalizer==3.4.3 # via requests contourpy==1.3.3 # via matplotlib -cryptography==45.0.7 +cryptography==46.0.0 # via paramiko cycler==0.12.1 # via matplotlib @@ -41,7 +43,7 @@ dnspython==2.8.0 # via # maggma # pymongo -emmet-core==0.84.10rc2 +emmet-core==0.85.0rc0 # via mp-api (pyproject.toml) fonttools==4.59.2 # via matplotlib @@ -143,7 +145,7 @@ pymatgen==2025.6.14 # emmet-core # mp-api (pyproject.toml) # pymatgen-io-validation -pymatgen-io-validation==0.1.1 +pymatgen-io-validation==0.1.2 # via emmet-core pymongo==4.10.1 # via maggma diff --git a/requirements/requirements-ubuntu-latest_py3.12_extras.txt b/requirements/requirements-ubuntu-latest_py3.12_extras.txt index a2d27d1ac..cd1b6f888 100644 --- a/requirements/requirements-ubuntu-latest_py3.12_extras.txt +++ b/requirements/requirements-ubuntu-latest_py3.12_extras.txt @@ -27,13 +27,15 @@ bcrypt==4.3.0 # via paramiko bibtexparser==1.4.3 # via pymatgen +blake3==1.0.5 + # via emmet-core boltons==25.0.0 # via mpcontribs-client -boto3==1.40.31 +boto3==1.40.32 # via # maggma # mp-api (pyproject.toml) -botocore==1.40.31 +botocore==1.40.32 # via # boto3 # s3transfer @@ -57,7 +59,7 @@ contourpy==1.3.3 # via matplotlib coverage[toml]==7.10.6 # via pytest-cov -cryptography==45.0.7 +cryptography==46.0.0 # via paramiko custodian==2025.8.13 # via mp-api (pyproject.toml) @@ -74,16 +76,14 @@ dnspython==2.8.0 # pymongo docutils==0.21.2 # via sphinx -emmet-core[all]==0.84.10rc2 +emmet-core[all]==0.85.0rc0 # via mp-api (pyproject.toml) execnet==2.1.1 # via pytest-xdist executing==2.2.1 # via stack-data filelock==3.19.1 - # via - # mdanalysis - # virtualenv + # via virtualenv filetype==1.2.0 # via mpcontribs-client flake8==7.3.0 @@ -98,8 +98,6 @@ fonttools==4.59.2 # via matplotlib fqdn==1.5.1 # via jsonschema -griddataformats==1.0.2 - # via mdanalysis identify==2.6.14 # via pre-commit idna==3.10 @@ -134,7 +132,6 @@ jmespath==1.0.1 # botocore joblib==1.5.2 # via - # mdanalysis # pymatgen # pymatgen-analysis-diffusion # scikit-learn @@ -170,23 +167,12 @@ matminer==0.9.3 matplotlib==3.10.6 # via # ase - # mdanalysis # pymatgen # seaborn - # solvation-analysis matplotlib-inline==0.1.7 # via ipython mccabe==0.7.0 # via flake8 -mda-xdrlib==0.2.0 - # via mdanalysis -mdanalysis==2.9.0 - # via - # emmet-core - # solvation-analysis - # transport-analysis -mmtf-python==1.1.3 - # via mdanalysis mongomock==4.3.0 # via maggma monotonic==1.6 @@ -208,14 +194,11 @@ mpcontribs-client==5.10.4 # via mp-api (pyproject.toml) mpmath==1.3.0 # via sympy -mrcfile==1.5.4 - # via griddataformats msgpack==1.1.1 # via # bravado # bravado-core # maggma - # mmtf-python # mp-api (pyproject.toml) mypy==1.18.1 # via mp-api (pyproject.toml) @@ -236,22 +219,17 @@ numpy==1.26.4 # via # ase # contourpy - # griddataformats # imageio # maggma # matminer # matplotlib - # mdanalysis # monty # mpcontribs-client - # mrcfile # pandas - # patsy # pymatgen # pymatgen-analysis-defects # pymatgen-analysis-diffusion # pymatgen-io-validation - # rdkit # robocrys # scikit-image # scikit-learn @@ -259,10 +237,7 @@ numpy==1.26.4 # seaborn # seekpath # shapely - # solvation-analysis # spglib - # statsmodels - # tidynamics # tifffile orjson==3.11.3 # via @@ -272,13 +247,11 @@ packaging==25.0 # via # lazy-loader # matplotlib - # mdanalysis # mongomock # plotly # pytest # scikit-image # sphinx - # statsmodels palettable==3.3.3 # via pymatgen pandas==2.3.2 @@ -288,23 +261,18 @@ pandas==2.3.2 # mpcontribs-client # pymatgen # seaborn - # solvation-analysis - # statsmodels paramiko==4.0.0 # via sshtunnel parso==0.8.5 # via jedi pathspec==0.12.1 # via mypy -patsy==1.0.1 - # via statsmodels pexpect==4.9.0 # via ipython pillow==11.3.0 # via # imageio # matplotlib - # rdkit # scikit-image pint==0.25 # via mpcontribs-client @@ -316,7 +284,6 @@ plotly==6.3.0 # via # mpcontribs-client # pymatgen - # solvation-analysis pluggy==1.6.0 # via # pytest @@ -388,7 +355,7 @@ pymatgen-analysis-defects==2025.1.18 # via emmet-core pymatgen-analysis-diffusion==2024.7.15 # via emmet-core -pymatgen-io-validation==0.1.1 +pymatgen-io-validation==0.1.2 # via emmet-core pymongo==4.10.1 # via @@ -408,12 +375,11 @@ pytest==8.4.2 # pytest-cov # pytest-mock # pytest-xdist - # solvation-analysis pytest-asyncio==1.2.0 # via mp-api (pyproject.toml) pytest-cov==7.0.0 # via mp-api (pyproject.toml) -pytest-mock==3.15.0 +pytest-mock==3.15.1 # via mp-api (pyproject.toml) pytest-xdist==3.8.0 # via mp-api (pyproject.toml) @@ -442,8 +408,6 @@ pyyaml==6.0.2 # swagger-spec-validator pyzmq==27.1.0 # via maggma -rdkit==2025.3.6 - # via solvation-analysis referencing==0.36.2 # via # jsonschema @@ -492,14 +456,10 @@ scikit-learn==1.7.2 scipy==1.16.2 # via # ase - # griddataformats - # mdanalysis # pymatgen # robocrys # scikit-image # scikit-learn - # solvation-analysis - # statsmodels seaborn==0.13.2 # via pymatgen-analysis-diffusion seekpath==2.1.0 @@ -525,8 +485,6 @@ smart-open==7.3.1 # via mp-api (pyproject.toml) snowballstemmer==3.0.1 # via sphinx -solvation-analysis==0.4.1 - # via emmet-core spglib==2.6.0 # via # pymatgen @@ -550,8 +508,6 @@ sshtunnel==0.4.0 # via maggma stack-data==0.6.3 # via ipython -statsmodels==0.14.5 - # via solvation-analysis swagger-spec-validator==3.0.4 # via # bravado-core @@ -563,26 +519,19 @@ sympy==1.14.0 tabulate==0.9.0 # via pymatgen threadpoolctl==3.6.0 - # via - # mdanalysis - # scikit-learn -tidynamics==1.1.2 - # via transport-analysis + # via scikit-learn tifffile==2025.9.9 # via scikit-image tqdm==4.67.1 # via # maggma # matminer - # mdanalysis # mpcontribs-client # pymatgen traitlets==5.14.3 # via # ipython # matplotlib-inline -transport-analysis==0.1.2 - # via emmet-core typeguard==4.4.4 # via inflect types-python-dateutil==2.9.0.20250822