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test-requirements.txt
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test-requirements.txt
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#
# This file is autogenerated by pip-compile with Python 3.9
# by the following command:
#
# pip-compile --extra=test --output-file=test-requirements.txt setup.cfg
#
ase==3.22.1
# via pysisyphus (setup.cfg)
autograd==1.5
# via pysisyphus (setup.cfg)
bcrypt==4.0.1
# via paramiko
cffi==1.15.1
# via
# cryptography
# pynacl
click==8.1.3
# via
# dask
# distributed
cloudpickle==2.2.1
# via
# dask
# distributed
contourpy==1.0.7
# via matplotlib
coverage[toml]==7.2.7
# via pytest-cov
cryptography==43.0.1
# via paramiko
cycler==0.11.0
# via matplotlib
dask==2023.5.1
# via
# distributed
# pysisyphus (setup.cfg)
decorator==5.1.1
# via fabric
distributed==2023.5.1
# via pysisyphus (setup.cfg)
exceptiongroup==1.1.1
# via pytest
fabric==3.1.0
# via pysisyphus (setup.cfg)
fonttools==4.43.0
# via matplotlib
fsspec==2023.5.0
# via dask
future==0.18.3
# via autograd
h5py==3.8.0
# via
# pyscf
# pysisyphus (setup.cfg)
importlib-metadata==6.6.0
# via dask
importlib-resources==5.12.0
# via matplotlib
iniconfig==2.0.0
# via pytest
invoke==2.1.2
# via fabric
jinja2==3.1.4
# via
# distributed
# pysisyphus (setup.cfg)
joblib==1.2.0
# via
# pysisyphus (setup.cfg)
# scikit-learn
kiwisolver==1.4.4
# via matplotlib
locket==1.0.0
# via
# distributed
# partd
markupsafe==2.1.2
# via jinja2
matplotlib==3.7.1
# via
# ase
# pysisyphus (setup.cfg)
mpmath==1.3.0
# via sympy
msgpack==1.0.5
# via distributed
natsort==8.3.1
# via pysisyphus (setup.cfg)
numpy==1.24.3
# via
# ase
# autograd
# contourpy
# h5py
# matplotlib
# pyscf
# pysisyphus (setup.cfg)
# qcelemental
# rmsd
# scikit-learn
# scipy
packaging==23.1
# via
# dask
# distributed
# matplotlib
# pytest
paramiko==3.4.0
# via fabric
partd==1.4.0
# via dask
pillow==10.3.0
# via matplotlib
pint==0.22
# via qcelemental
pluggy==1.0.0
# via pytest
psutil==5.9.5
# via
# distributed
# pysisyphus (setup.cfg)
# qcengine
py-cpuinfo==9.0.0
# via qcengine
pycparser==2.21
# via cffi
pydantic==1.10.13
# via
# qcelemental
# qcengine
pynacl==1.5.0
# via paramiko
pyparsing==3.0.9
# via matplotlib
pyscf==2.2.1
# via pysisyphus (setup.cfg)
pytest==7.3.1
# via
# pysisyphus (setup.cfg)
# pytest-cov
pytest-cov==4.1.0
# via pysisyphus (setup.cfg)
python-dateutil==2.8.2
# via matplotlib
pyyaml==6.0
# via
# dask
# distributed
# pysisyphus (setup.cfg)
# qcengine
qcelemental==0.25.1
# via qcengine
qcengine==0.26.0
# via pysisyphus (setup.cfg)
rmsd==1.5.1
# via pysisyphus (setup.cfg)
scikit-learn==1.5.0
# via pysisyphus (setup.cfg)
scipy==1.10.1
# via
# ase
# pyscf
# pysisyphus (setup.cfg)
# rmsd
# scikit-learn
six==1.16.0
# via python-dateutil
sortedcontainers==2.4.0
# via distributed
sympy==1.12
# via pysisyphus (setup.cfg)
tblib==1.7.0
# via distributed
threadpoolctl==3.1.0
# via scikit-learn
tomli==2.0.1
# via
# coverage
# pytest
toolz==0.12.0
# via
# dask
# distributed
# partd
tornado==6.4.1
# via distributed
typing-extensions==4.6.3
# via
# pint
# pydantic
urllib3==2.2.2
# via distributed
zict==3.0.0
# via distributed
zipp==3.19.1
# via
# importlib-metadata
# importlib-resources