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| -rw-r--r-- | .SRCINFO | 21 | ||||
| -rw-r--r-- | PKGBUILD | 56 |
2 files changed, 77 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO new file mode 100644 index 000000000000..624d5d53a5ad --- /dev/null +++ b/.SRCINFO @@ -0,0 +1,21 @@ +pkgbase = libint-cp2k + pkgdesc = A high-performance library for computing Gaussian integrals in quantum mechanics (cp2k edition) + pkgver = 2.7.0.beta.5 + pkgrel = 1 + url = https://github.com/cp2k/libint-cp2k + arch = x86_64 + license = GPL + makedepends = python + makedepends = gcc-fortran + makedepends = cmake + makedepends = automake + makedepends = autoconf + makedepends = eigen + depends = boost + provides = libint2 + conflicts = libint2 + options = staticlibs + source = https://github.com/cp2k/libint-cp2k/releases/download/v2.7.0-beta.5/libint-v2.7.0-beta.5-cp2k-lmax-7.tgz + sha256sums = 523e93da19652ae78ebaaa7c646dd2cd2f93809ca0c5a1f325e80f1d264af8e1 + +pkgname = libint-cp2k diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..d321b9daab1f --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,56 @@ +# Maintainer: Kars Wang <jaklsy [at] gmail [dot] com> + +_pkgname=libint +_lmax_ver=7 +pkgname=libint-cp2k +pkgver=2.7.0.beta.5 +_pkgver="$(sed 's/\.beta/-beta/' <<< "${pkgver}")" +__pkgver="v${_pkgver}-cp2k-lmax-${_lmax_ver}" +pkgrel=1 +pkgdesc='A high-performance library for computing Gaussian integrals in quantum mechanics (cp2k edition)' +url='https://github.com/cp2k/libint-cp2k' +license=('GPL') +arch=('x86_64') +depends=('boost') +makedepends=('python' 'gcc-fortran' 'cmake' 'automake' 'autoconf' 'eigen') +provides=('libint2') +conflicts=('libint2') +source=("https://github.com/cp2k/libint-cp2k/releases/download/v${_pkgver}/${_pkgname}-${__pkgver}.tgz") +sha256sums=('523e93da19652ae78ebaaa7c646dd2cd2f93809ca0c5a1f325e80f1d264af8e1') +options=(staticlibs) + + +prepare() { + cd "${srcdir}/${_pkgname}-${__pkgver}" + + # Setting build environment + export CC=gcc + export CXX=g++ + export FC=gfortran + export CXXGENFLAGS="$CXXFLAGS" + + mkdir -p build +} + +build() { + cd "${srcdir}/${_pkgname}-${__pkgver}/build" + + cmake .. -DCMAKE_INSTALL_PREFIX='/usr' \ + -DCMAKE_CXX_COMPILER="$CXX" \ + -DLIBINT2_INSTALL_LIBDIR="/usr/lib" \ + -DENABLE_FORTRAN=ON \ + -DCXXFLAGS="$CXXFLAGS -g1" + + cmake --build . +} + +# check() { +# libint_build_dir="${srcdir}/build_libint" +# cd "$libint_build_dir/${_pkgname}-${__pkgver}" +# cmake --build . --target check +# } + +package() { + cd "${srcdir}/${_pkgname}-${__pkgver}/build" + cmake --build . --target install -- DESTDIR="${pkgdir}" +} |