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Merge branch 'master' into dftdx
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wxj6000 authored Jan 17, 2024
2 parents beb05b9 + 523dbf1 commit 7ef2518
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2 changes: 1 addition & 1 deletion dockerfiles/manylinux/build_wheels.sh
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Expand Up @@ -15,7 +15,7 @@ export PATH=$CUDA_HOME/bin:$PATH
export LD_LIBRARY_PATH=$CUDA_HOME/lib64:$LD_LIBRARY_PATH

# blas is required by DFTD3 and DFTD4
yum install openblas-devel
yum install -y openblas-devel

# Compile wheels
rm -rf /gpu4pyscf/wheelhouse
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