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FC=ifort CC=icc ./configure --prefix=/opt/libxc-3.0.0/
$ sudo dnf install automake autoconf gcc-c++ boost-devel gmp-devel # to obtain the required packagesPlease adapt to your own machine/distribution.
$ tar xzf libint-2.2.0.tgz
$ cd libint-2.2.0
$ mkdir build
$ cd build
$ ../configure --prefix=/opt/libint-2.2.0/ --enable-1body=1 --enable-eri=1 --enable-eri3=1 --enable-eri2=1 --enable-contracted-ints --with-max-am=7 --with-opt-am=2 --with-cxxgen=g++ --with-cxxgen-optflags=-O2 --with-cxx-optflags=-O2
$ make -j 4
$ sudo make install
tolscf. Use for instance 5.0e-4. The default value is much often way too tight.
min_overlap. Try 1.0e-4, 1.0e-3 for instance.
level_shifting. Be careful with level shifting. It may converge very smoothly to a local minimum and stay there forever.
frozencore='yes'to limit the number of active occupied states without much loss of accuracy.
tda='yes'may numerically solve the problem. The literature about the singlet/triplet instability is vast in the TDDFT framework.