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|
#
# This file is autogenerated by pip-compile with Python 3.10
# by the following command:
#
# pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.10_extras.txt
#
aiohappyeyeballs==2.4.0
# via aiohttp
aiohttp==3.10.5
# via fsspec
aioitertools==0.12.0
# via maggma
aiosignal==1.3.1
# via aiohttp
annotated-types==0.7.0
# via pydantic
ase==3.23.0
# via
# chgnet
# matcalc
# matgl
# pymatgen-analysis-diffusion
async-timeout==4.0.3
# via aiohttp
attrs==24.2.0
# via
# aiohttp
# jsonlines
# jsonschema
# referencing
bcrypt==4.2.0
# via paramiko
boto3==1.35.23
# via maggma
botocore==1.35.23
# via
# boto3
# s3transfer
bracex==2.5
# via wcmatch
certifi==2024.8.30
# via requests
cffi==1.17.1
# via
# cryptography
# pynacl
cfgv==3.4.0
# via pre-commit
charset-normalizer==3.3.2
# via requests
chgnet==0.4.0
# via emmet-core (setup.py)
click==8.1.7
# via
# mkdocs
# mkdocstrings
colorama==0.4.6
# via griffe
contourpy==1.3.0
# via matplotlib
coverage[toml]==7.6.1
# via pytest-cov
cryptography==43.0.1
# via paramiko
csscompressor==0.9.5
# via mkdocs-minify-plugin
custodian==2024.6.24
# via emmet-core (setup.py)
cycler==0.12.1
# via matplotlib
cython==3.0.11
# via chgnet
dgl==2.1.0
# via
# emmet-core (setup.py)
# matgl
distlib==0.3.8
# via virtualenv
dnspython==2.6.1
# via
# maggma
# pymongo
emmet-core==0.84.2rc10
# via mp-api
exceptiongroup==1.2.2
# via pytest
fasteners==0.19
# via mdanalysis
filelock==3.16.1
# via
# torch
# triton
# virtualenv
flake8==7.1.1
# via emmet-core (setup.py)
fonttools==4.53.1
# via matplotlib
frozenlist==1.4.1
# via
# aiohttp
# aiosignal
fsspec[http]==2024.9.0
# via
# lightning
# pytorch-lightning
# torch
ghp-import==2.1.0
# via mkdocs
griddataformats==1.0.2
# via mdanalysis
griffe==1.3.1
# via mkdocstrings-python
h5py==3.11.0
# via phonopy
htmlmin2==0.1.13
# via mkdocs-minify-plugin
identify==2.6.1
# via pre-commit
idna==3.10
# via
# requests
# yarl
imageio==2.35.1
# via scikit-image
inflect==7.4.0
# via robocrys
iniconfig==2.0.0
# via pytest
jinja2==3.1.4
# via
# emmet-core (setup.py)
# mkdocs
# mkdocs-material
# mkdocstrings
# torch
jmespath==1.0.1
# via
# boto3
# botocore
joblib==1.4.2
# via
# matcalc
# mdanalysis
# pymatgen
# pymatgen-analysis-diffusion
# scikit-learn
jsmin==3.0.1
# via mkdocs-minify-plugin
jsonlines==4.0.0
# via maggma
jsonschema==4.23.0
# via maggma
jsonschema-specifications==2023.12.1
# via jsonschema
kiwisolver==1.4.7
# via matplotlib
latexcodec==3.0.0
# via pybtex
lazy-loader==0.4
# via scikit-image
lightning==2.4.0
# via matgl
lightning-utilities==0.11.7
# via
# lightning
# pytorch-lightning
# torchmetrics
livereload==2.7.0
# via emmet-core (setup.py)
maggma==0.69.3
# via mp-api
markdown==3.7
# via
# mkdocs
# mkdocs-autorefs
# mkdocs-material
# mkdocstrings
# pymdown-extensions
markupsafe==2.1.5
# via
# jinja2
# mkdocs
# mkdocs-autorefs
# mkdocstrings
matcalc==0.0.4
# via emmet-core (setup.py)
matgl==1.1.3
# via emmet-core (setup.py)
matminer==0.9.2
# via robocrys
matplotlib==3.9.2
# via
# ase
# mdanalysis
# phonopy
# pymatgen
# seaborn
# solvation-analysis
mccabe==0.7.0
# via flake8
mda-xdrlib==0.2.0
# via mdanalysis
mdanalysis==2.7.0
# via
# emmet-core (setup.py)
# solvation-analysis
mergedeep==1.3.4
# via
# mkdocs
# mkdocs-get-deps
mkdocs==1.6.1
# via
# emmet-core (setup.py)
# mkdocs-autorefs
# mkdocs-awesome-pages-plugin
# mkdocs-markdownextradata-plugin
# mkdocs-material
# mkdocs-minify-plugin
# mkdocstrings
mkdocs-autorefs==1.2.0
# via
# mkdocstrings
# mkdocstrings-python
mkdocs-awesome-pages-plugin==2.9.3
# via emmet-core (setup.py)
mkdocs-get-deps==0.2.0
# via mkdocs
mkdocs-markdownextradata-plugin==0.2.6
# via emmet-core (setup.py)
mkdocs-material==8.2.16
# via emmet-core (setup.py)
mkdocs-material-extensions==1.3.1
# via
# emmet-core (setup.py)
# mkdocs-material
mkdocs-minify-plugin==0.8.0
# via emmet-core (setup.py)
mkdocstrings[python]==0.26.1
# via
# emmet-core (setup.py)
# mkdocstrings-python
mkdocstrings-python==1.11.1
# via mkdocstrings
mmtf-python==1.1.3
# via mdanalysis
mongomock==4.2.0.post1
# via maggma
monty==2024.7.30
# via
# custodian
# emmet-core
# emmet-core (setup.py)
# maggma
# matminer
# mp-api
# pymatgen
# robocrys
more-itertools==10.5.0
# via inflect
mp-api==0.42.2
# via robocrys
mp-pyrho==0.4.4
# via pymatgen-analysis-defects
mpmath==1.3.0
# via sympy
mrcfile==1.5.3
# via griddataformats
msgpack==1.1.0
# via
# maggma
# mmtf-python
# mp-api
multidict==6.1.0
# via
# aiohttp
# yarl
mypy==1.11.2
# via emmet-core (setup.py)
mypy-extensions==1.0.0
# via
# emmet-core (setup.py)
# mypy
natsort==8.4.0
# via mkdocs-awesome-pages-plugin
networkx==3.3
# via
# dgl
# pymatgen
# robocrys
# scikit-image
# torch
nodeenv==1.9.1
# via pre-commit
numpy==1.26.4
# via
# ase
# chgnet
# contourpy
# dgl
# emmet-core
# emmet-core (setup.py)
# griddataformats
# h5py
# imageio
# maggma
# matminer
# matplotlib
# mdanalysis
# mrcfile
# pandas
# patsy
# phonopy
# pymatgen
# pymatgen-analysis-defects
# pymatgen-analysis-diffusion
# rdkit
# robocrys
# scikit-image
# scikit-learn
# scipy
# seaborn
# seekpath
# shapely
# solvation-analysis
# spglib
# statsmodels
# tifffile
# 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==9.1.0.70
# 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==2.20.5
# via torch
nvidia-nvjitlink-cu12==12.6.68
# via
# nvidia-cusolver-cu12
# nvidia-cusparse-cu12
nvidia-nvtx-cu12==12.1.105
# via torch
orjson==3.10.7
# via maggma
packaging==24.1
# via
# lazy-loader
# lightning
# lightning-utilities
# matplotlib
# mdanalysis
# mkdocs
# mongomock
# plotly
# pytest
# pytorch-lightning
# scikit-image
# statsmodels
# torchmetrics
palettable==3.3.3
# via pymatgen
pandas==2.2.2
# via
# maggma
# matminer
# pymatgen
# seaborn
# solvation-analysis
# statsmodels
paramiko==3.5.0
# via sshtunnel
pathspec==0.12.1
# via mkdocs
patsy==0.5.6
# via statsmodels
phonopy==2.28.0
# via matcalc
pillow==10.4.0
# via
# imageio
# matplotlib
# rdkit
# scikit-image
platformdirs==4.3.6
# via
# mkdocs-get-deps
# mkdocstrings
# virtualenv
plotly==5.24.1
# via
# pymatgen
# solvation-analysis
pluggy==1.5.0
# via pytest
pre-commit==3.8.0
# via emmet-core (setup.py)
psutil==6.0.0
# via
# custodian
# dgl
pubchempy==1.0.4
# via robocrys
pybtex==0.24.0
# via
# emmet-core
# emmet-core (setup.py)
# pymatgen
# robocrys
pycodestyle==2.12.1
# via
# emmet-core (setup.py)
# flake8
pycparser==2.22
# via cffi
pydantic==2.9.2
# via
# emmet-core
# emmet-core (setup.py)
# maggma
# matgl
# pydantic-settings
pydantic-core==2.23.4
# via pydantic
pydantic-settings==2.5.2
# via
# emmet-core
# emmet-core (setup.py)
# maggma
pydash==8.0.3
# via maggma
pydocstyle==6.3.0
# via emmet-core (setup.py)
pyflakes==3.2.0
# via flake8
pygments==2.18.0
# via mkdocs-material
pymatgen==2024.9.17.1
# via
# chgnet
# emmet-core
# emmet-core (setup.py)
# matcalc
# matgl
# matminer
# mp-api
# mp-pyrho
# pymatgen-analysis-alloys
# pymatgen-analysis-defects
# pymatgen-analysis-diffusion
# robocrys
pymatgen-analysis-alloys==0.0.6
# via emmet-core (setup.py)
pymatgen-analysis-defects==2024.7.19
# via emmet-core (setup.py)
pymatgen-analysis-diffusion==2024.7.15
# via emmet-core (setup.py)
pymdown-extensions==10.9
# via
# mkdocs-material
# mkdocstrings
pymongo==4.9.1
# via
# maggma
# matminer
pynacl==1.5.0
# via paramiko
pyparsing==3.1.4
# via matplotlib
pytest==8.3.3
# via
# emmet-core (setup.py)
# pytest-cov
# solvation-analysis
pytest-cov==5.0.0
# via emmet-core (setup.py)
python-dateutil==2.9.0.post0
# via
# botocore
# ghp-import
# maggma
# matplotlib
# pandas
python-dotenv==1.0.1
# via pydantic-settings
pytorch-lightning==2.4.0
# via lightning
pytz==2024.2
# via
# mongomock
# pandas
pyyaml==6.0.2
# via
# lightning
# mkdocs
# mkdocs-get-deps
# mkdocs-markdownextradata-plugin
# phonopy
# pre-commit
# pybtex
# pymdown-extensions
# pytorch-lightning
# pyyaml-env-tag
pyyaml-env-tag==0.1
# via mkdocs
pyzmq==26.2.0
# via maggma
rdkit==2024.3.5
# via solvation-analysis
referencing==0.35.1
# via
# jsonschema
# jsonschema-specifications
requests==2.32.3
# via
# dgl
# matminer
# mp-api
# pymatgen
# torchdata
robocrys==0.2.9
# via emmet-core (setup.py)
rpds-py==0.20.0
# via
# jsonschema
# referencing
ruamel-yaml==0.18.6
# via
# custodian
# maggma
# pymatgen
# robocrys
ruamel-yaml-clib==0.2.8
# via ruamel-yaml
s3transfer==0.10.2
# via boto3
scikit-image==0.24.0
# via pymatgen-analysis-defects
scikit-learn==1.5.2
# via matminer
scipy==1.14.1
# via
# ase
# dgl
# griddataformats
# mdanalysis
# pymatgen
# robocrys
# scikit-image
# scikit-learn
# solvation-analysis
# statsmodels
seaborn==0.13.2
# via pymatgen-analysis-diffusion
seekpath==2.1.0
# via emmet-core (setup.py)
sentinels==1.0.0
# via mongomock
shapely==2.0.6
# via pymatgen-analysis-alloys
six==1.16.0
# via
# patsy
# pybtex
# python-dateutil
smart-open==7.0.4
# via mp-api
snowballstemmer==2.2.0
# via pydocstyle
solvation-analysis==0.4.1
# via emmet-core (setup.py)
spglib==2.5.0
# via
# phonopy
# pymatgen
# robocrys
# seekpath
sshtunnel==0.4.0
# via maggma
statsmodels==0.14.3
# via solvation-analysis
sympy==1.13.3
# via
# matminer
# pymatgen
# torch
tabulate==0.9.0
# via pymatgen
tenacity==9.0.0
# via plotly
threadpoolctl==3.5.0
# via
# mdanalysis
# scikit-learn
tifffile==2024.8.30
# via scikit-image
tomli==2.0.1
# via
# coverage
# mypy
# pytest
torch==2.4.1
# via
# chgnet
# lightning
# matgl
# pytorch-lightning
# torchdata
# torchmetrics
torchdata==0.7.1
# via
# dgl
# matgl
torchmetrics==1.4.2
# via
# lightning
# pytorch-lightning
tornado==6.4.1
# via livereload
tqdm==4.66.5
# via
# dgl
# lightning
# maggma
# matminer
# mdanalysis
# pymatgen
# pytorch-lightning
triton==3.0.0
# via torch
typeguard==4.3.0
# via inflect
types-requests==2.32.0.20240914
# via emmet-core (setup.py)
types-setuptools==75.1.0.20240917
# via emmet-core (setup.py)
typing-extensions==4.12.2
# via
# chgnet
# emmet-core
# emmet-core (setup.py)
# lightning
# lightning-utilities
# mp-api
# multidict
# mypy
# pydantic
# pydantic-core
# pydash
# pytorch-lightning
# torch
# typeguard
tzdata==2024.1
# via pandas
uncertainties==3.2.2
# via pymatgen
urllib3==2.2.3
# via
# botocore
# requests
# torchdata
# types-requests
virtualenv==20.26.5
# via pre-commit
watchdog==5.0.2
# via mkdocs
wcmatch==9.0
# via mkdocs-awesome-pages-plugin
wincertstore==0.2.1
# via emmet-core (setup.py)
wrapt==1.16.0
# via smart-open
yarl==1.11.1
# via aiohttp
# The following packages are considered to be unsafe in a requirements file:
# setuptools
|
