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requirements.txt
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requirements.txt
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#
# This file is autogenerated by pip-compile with Python 3.10
# by the following command:
#
# pip-compile --output-file=requirements.txt pyproject.toml
#
aiohttp==3.9.1
# via fsspec
aioitertools==0.11.0
# via maggma
aiosignal==1.3.1
# via aiohttp
altair==5.2.0
# via streamlit
annotated-types==0.6.0
# via pydantic
anyio==4.2.0
# via starlette
ase==3.22.1
# via
# htflow-utils
# matgl
async-timeout==4.0.3
# via aiohttp
atomate==1.1.0
# via emmet
attrs==23.2.0
# via
# aiohttp
# jsonschema
# referencing
bcrypt==4.1.2
# via paramiko
blinker==1.7.0
# via
# flask
# streamlit
boto3==1.34.19
# via maggma
botocore==1.34.19
# via
# boto3
# s3transfer
brewer2mpl==1.4.1
# via prettyplotlib
cachetools==5.3.2
# via streamlit
castepxbin==0.3.0
# via sumo
certifi==2023.11.17
# via
# requests
# sentry-sdk
cffi==1.16.0
# via
# cryptography
# pynacl
charset-normalizer==3.3.2
# via requests
click==8.1.7
# via
# flask
# mongogrant
# streamlit
# uvicorn
colormath==3.0.0
# via sumo
contourpy==1.2.0
# via matplotlib
cryptography==41.0.7
# via paramiko
custodian==2023.10.9
# via
# atomate
# surfflow (pyproject.toml)
cycler==0.12.1
# via matplotlib
dgl==1.1.3
# via matgl
dnspython==2.4.2
# via
# maggma
# pymongo
emmet==2018.6.7
# via surfflow (pyproject.toml)
exceptiongroup==1.2.0
# via anyio
fastapi==0.109.0
# via maggma
filelock==3.13.1
# via
# torch
# triton
fireworks==2.0.3
# via
# atomate
# surfflow (pyproject.toml)
flask==3.0.0
# via
# fireworks
# flask-paginate
# mongogrant
flask-paginate==2023.10.24
# via fireworks
fonttools==4.47.2
# via matplotlib
frozenlist==1.4.1
# via
# aiohttp
# aiosignal
fsspec[http]==2023.12.2
# via
# fsspec
# pytorch-lightning
# torch
future==0.18.3
# via
# matminer
# uncertainties
gitdb==4.0.11
# via gitpython
gitpython==3.1.41
# via streamlit
gunicorn==21.2.0
# via fireworks
h11==0.14.0
# via uvicorn
h5py==3.10.0
# via
# phonopy
# sumo
htflow-utils[workflows]==1.0.1
# via surfflow (pyproject.toml)
idna==3.6
# via
# anyio
# requests
# yarl
imageio==2.33.1
# via scikit-image
importlib-metadata==7.0.1
# via streamlit
importlib-resources==6.1.1
# via sumo
itsdangerous==2.1.2
# via flask
jinja2==3.1.3
# via
# altair
# fireworks
# flask
# pydeck
# torch
jmespath==1.0.1
# via
# boto3
# botocore
joblib==1.3.2
# via
# pymatgen
# pymatgen-analysis-diffusion
# scikit-learn
jsonschema==4.20.0
# via
# altair
# maggma
jsonschema-specifications==2023.12.1
# via jsonschema
kiwisolver==1.4.5
# via matplotlib
latexcodec==2.0.1
# via pybtex
lazy-loader==0.3
# via scikit-image
lightning-utilities==0.10.0
# via
# pytorch-lightning
# torchmetrics
maggma==0.60.2
# via
# atomate
# emmet
markdown-it-py==3.0.0
# via rich
markupsafe==2.1.3
# via
# jinja2
# werkzeug
matgl==0.9.1
# via htflow-utils
matminer==0.9.0
# via emmet
matplotlib==3.8.2
# via
# ase
# phonopy
# prettyplotlib
# pymatgen
# sumo
mdurl==0.1.2
# via markdown-it-py
mongogrant==0.3.3
# via maggma
mongomock==4.1.2
# via maggma
monty==2023.11.3
# via
# atomate
# custodian
# emmet
# fireworks
# maggma
# matminer
# pymatgen
mpmath==1.3.0
# via sympy
msgpack==1.0.7
# via maggma
multidict==6.0.4
# via
# aiohttp
# yarl
networkx==3.2.1
# via
# atomate
# colormath
# dgl
# emmet
# pymatgen
# scikit-image
# torch
numpy==1.26.3
# via
# altair
# ase
# atomate
# castepxbin
# colormath
# contourpy
# dgl
# h5py
# imageio
# maggma
# matminer
# matplotlib
# pandas
# phonopy
# pyarrow
# pydeck
# pymatgen
# pymatgen-analysis-defects
# pytorch-lightning
# scikit-image
# scikit-learn
# scipy
# seekpath
# spglib
# streamlit
# sumo
# 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==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-nccl-cu12==2.18.1
# via torch
nvidia-nvjitlink-cu12==12.3.101
# via
# nvidia-cusolver-cu12
# nvidia-cusparse-cu12
nvidia-nvtx-cu12==12.1.105
# via torch
orjson==3.9.10
# via maggma
packaging==23.2
# via
# altair
# gunicorn
# lightning-utilities
# matplotlib
# mongomock
# plotly
# pytorch-lightning
# scikit-image
# streamlit
# torchmetrics
palettable==3.3.3
# via pymatgen
pandas==1.5.3
# via
# altair
# atomate
# matminer
# pymatgen
# streamlit
paramiko==3.4.0
# via
# atomate
# sshtunnel
phonopy==2.21.0
# via sumo
pillow==10.2.0
# via
# imageio
# matplotlib
# scikit-image
# streamlit
plotly==5.18.0
# via pymatgen
prettyplotlib==0.1.7
# via emmet
protobuf==4.25.2
# via streamlit
psutil==5.9.7
# via
# custodian
# dgl
pyarrow==14.0.2
# via streamlit
pybtex==0.24.0
# via
# emmet
# pymatgen
pycparser==2.21
# via cffi
pydantic==2.5.3
# via
# fastapi
# maggma
# pydantic-settings
pydantic-core==2.14.6
# via pydantic
pydantic-settings==2.1.0
# via maggma
pydash==7.0.6
# via
# atomate
# emmet
# maggma
pydeck==0.8.1b0
# via streamlit
pygments==2.17.2
# via rich
pymatgen==2023.12.18
# via
# atomate
# emmet
# htflow-utils
# matgl
# matminer
# pymatgen-analysis-defects
# pymatgen-analysis-diffusion
# sumo
# surfflow (pyproject.toml)
pymatgen-analysis-defects==2024.1.12
# via atomate
pymatgen-analysis-diffusion==2023.8.15
# via atomate
pymongo==4.6.1
# via
# atomate
# fireworks
# maggma
# matminer
# mongogrant
pynacl==1.5.0
# via paramiko
pyparsing==3.1.1
# via matplotlib
python-dateutil==2.8.2
# via
# botocore
# fireworks
# maggma
# matplotlib
# pandas
# streamlit
python-dotenv==1.0.0
# via pydantic-settings
pytorch-lightning==2.1.3
# via matgl
pytz==2023.3.post1
# via pandas
pyyaml==6.0.1
# via
# atomate
# phonopy
# pybtex
# pytorch-lightning
pyzmq==25.1.2
# via maggma
referencing==0.32.1
# via
# jsonschema
# jsonschema-specifications
requests==2.31.0
# via
# dgl
# fsspec
# matminer
# mongogrant
# pymatgen
# streamlit
rich==13.7.0
# via streamlit
rpds-py==0.17.1
# via
# jsonschema
# referencing
ruamel-yaml==0.17.40
# via
# atomate
# custodian
# fireworks
# maggma
# pymatgen
ruamel-yaml-clib==0.2.8
# via ruamel-yaml
s3transfer==0.10.0
# via boto3
scikit-image==0.22.0
# via pymatgen-analysis-defects
scikit-learn==1.3.2
# via matminer
scipy==1.11.4
# via
# ase
# atomate
# castepxbin
# dgl
# pymatgen
# scikit-image
# scikit-learn
# sumo
seekpath==2.1.0
# via sumo
sentinels==1.0.0
# via mongomock
sentry-sdk==1.39.2
# via custodian
six==1.16.0
# via
# emmet
# fireworks
# latexcodec
# pybtex
# python-dateutil
smmap==5.0.1
# via gitdb
sniffio==1.3.0
# via anyio
spglib==2.2.0
# via
# phonopy
# pymatgen
# seekpath
# sumo
sshtunnel==0.4.0
# via maggma
starlette==0.35.1
# via fastapi
streamlit==1.30.0
# via surfflow (pyproject.toml)
sumo==2.3.8
# via emmet
sympy==1.12
# via
# matminer
# pymatgen
# torch
tabulate==0.9.0
# via
# fireworks
# pymatgen
tenacity==8.2.3
# via
# plotly
# streamlit
threadpoolctl==3.2.0
# via scikit-learn
tifffile==2023.12.9
# via scikit-image
toml==0.10.2
# via streamlit
toolz==0.12.0
# via altair
torch==2.1.2
# via
# matgl
# pytorch-lightning
# torchmetrics
torchmetrics==1.3.0
# via pytorch-lightning
tornado==6.4
# via streamlit
tqdm==4.66.1
# via
# atomate
# dgl
# emmet
# fireworks
# maggma
# matminer
# pymatgen
# pytorch-lightning
triton==2.1.0
# via torch
typing-extensions==4.9.0
# via
# altair
# anyio
# fastapi
# lightning-utilities
# pydantic
# pydantic-core
# pydash
# pytorch-lightning
# streamlit
# torch
# uvicorn
tzlocal==5.2
# via streamlit
uncertainties==3.1.7
# via pymatgen
urllib3==2.0.7
# via
# botocore
# requests
# sentry-sdk
uvicorn==0.25.0
# via maggma
validators==0.22.0
# via streamlit
watchdog==3.0.0
# via streamlit
werkzeug==3.0.1
# via flask
yarl==1.9.4
# via aiohttp
zipp==3.17.0
# via importlib-metadata
# The following packages are considered to be unsafe in a requirements file:
# setuptools