# Contributor: Viktor Drobot (aka dviktor) linux776 [at] gmail [dot] com # Contributor: Anton Kudelin _pkgname=libint pkgname=libint2 pkgver=2.8.1 pkgrel=1 pkgdesc='A high-performance library for computing Gaussian integrals in quantum mechanics' url='https://github.com/evaleev/libint' license=('GPL') arch=('x86_64') depends=('boost') makedepends=('python' 'gcc-fortran' 'cmake' 'automake' 'autoconf' 'eigen') source=("https://github.com/evaleev/libint/archive/v${pkgver}.tar.gz") sha256sums=('54ae9c55f03f1989ee4792ab1ec24eda8ac88126f9c11f3723ed76a3275b3e24') options=(staticlibs) prepare() { cd "${srcdir}/${_pkgname}-${pkgver}" ./autogen.sh # Detecting FMA support if [ $( gcc -march=native -dM -E - < /dev/null | egrep "FMA__" | tail -c 2 ) \ == 1 ] then FMA=yes CXXFLAGS="$CXXFLAGS -mfma" echo "Support of FMA intrinsics is enabled" else FMA=no echo "Support of FMA intrinsics is disabled" fi # Setting build environment export CC=gcc export CXX=g++ export FC=gfortran export CXXGENFLAGS="$CXXFLAGS" } build() { ## generating libint library tarball_build_dir="${srcdir}/prepare_tarball" libint_build_dir="${srcdir}/build_libint" # create dir for building tarball mkdir -p "$tarball_build_dir" # run conf from building tarball dir cd "$tarball_build_dir" ../$_pkgname-$pkgver/configure \ --enable-eri=1 \ --enable-eri2=1 \ --enable-eri3=1 \ --enable-fma=$FMA \ --with-max-am=5 \ --with-eri-max-am=5,4 \ --with-eri2-max-am=7,6 \ --with-eri3-max-am=7,6 \ --with-opt-am=3 make export ## compiling libint library # create dir for building libint mkdir -p "$libint_build_dir" tar xzf "$tarball_build_dir/${_pkgname}-${pkgver}.tgz" -C "$libint_build_dir" cd "$libint_build_dir/${_pkgname}-${pkgver}" cmake . -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_CXX_COMPILER=g++ -DCMAKE_CXX_FLAGS="$CXXFLAGS" cmake --build . } check() { libint_build_dir="${srcdir}/build_libint" cd "$libint_build_dir/${_pkgname}-${pkgver}" cmake --build . --target check } package() { libint_build_dir="${srcdir}/build_libint" cd "$libint_build_dir/${_pkgname}-${pkgver}" DESTDIR="$pkgdir" cmake --install . }