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TWRogers/install_libxc.sh

Last active January 30, 2020 14:39
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Installing libxc (Library of exchange-correlation functionals for density-functional theory)
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install_libxc.sh
git clone https://gitlab.com/libxc/libxc.git
cd libxc
sudo apt install autogen autoconf libtool
autoreconf -i
./configure
make
make check
sudo make install
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libxc libraries will be installed in /opt/etsf/lib by this method.
Can be used in PySCF by install with export PYSCF_INC_DIR=/opt/etsf/lib and then pip install pyscf

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