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Automated dependency upgrades #1001

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1ea1bed
Update ubuntu-latest dependencies for mp-api
invalid-email-address Sep 16, 2025
4b5f334
Update ubuntu-latest dependencies for mp-api
invalid-email-address Sep 16, 2025
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12 changes: 7 additions & 5 deletions requirements/requirements-ubuntu-latest_py3.11.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -33,15 +35,15 @@ 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
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
Expand Down Expand Up @@ -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
Expand Down
71 changes: 10 additions & 61 deletions requirements/requirements-ubuntu-latest_py3.11_extras.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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)
Expand All @@ -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
Expand All @@ -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
Expand Down Expand Up @@ -134,7 +132,6 @@ jmespath==1.0.1
# botocore
joblib==1.5.2
# via
# mdanalysis
# pymatgen
# pymatgen-analysis-diffusion
# scikit-learn
Expand Down Expand Up @@ -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
Expand All @@ -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)
Expand All @@ -236,33 +219,25 @@ 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
# scipy
# seaborn
# seekpath
# shapely
# solvation-analysis
# spglib
# statsmodels
# tidynamics
# tifffile
orjson==3.11.3
# via
Expand All @@ -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
Expand All @@ -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
Expand All @@ -316,7 +284,6 @@ plotly==6.3.0
# via
# mpcontribs-client
# pymatgen
# solvation-analysis
pluggy==1.6.0
# via
# pytest
Expand Down Expand Up @@ -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
Expand All @@ -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)
Expand Down Expand Up @@ -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
Expand Down Expand Up @@ -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
Expand All @@ -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
Expand All @@ -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
Expand All @@ -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
Expand Down
12 changes: 7 additions & 5 deletions requirements/requirements-ubuntu-latest_py3.12.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -33,15 +35,15 @@ 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
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
Expand Down Expand Up @@ -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
Expand Down
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