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Lift restriction on h5py now pyscf 2 is widely available.

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PiperOrigin-RevId: 480303233
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James Spencer
2022-10-11 10:15:00 +00:00
committed by Diego de las Casas
parent affa162ac7
commit a8dab395c8
1 changed files with 5 additions and 4 deletions
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9
density_functional_approximation_dm21/setup.py
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@@ -19,12 +19,13 @@ from setuptools import setup
REQUIRED_PACKAGES = [
'absl-py',
'attrs',
# PySCF 1.7.6 and older do not support h5py 3.3.0:
# Note PySCF 1.7.6 and older do not support h5py 3.3.0:
# https://github.com/pyscf/pyscf/issues/1016
# If using PySCF 2.0 or later, this restriction can be lifted.
'h5py<3.3.0',
'h5py',
'numpy',
'pyscf',
# Note DM21 functionals are compatible with PySCF 1.7.6 if an older version
# of h5py is used.
'pyscf>=2.0',
'tensorflow',
'tensorflow_hub',
]