78 lines
2.7 KiB
Bash
78 lines
2.7 KiB
Bash
# Contributor: Mehdi Chinoune <mehdi.chinoune@hotmail.com>
|
|
|
|
_realname=cp2k
|
|
pkgbase=mingw-w64-${_realname}
|
|
pkgname=("${MINGW_PACKAGE_PREFIX}-${_realname}")
|
|
pkgver=2025.1
|
|
pkgrel=1
|
|
pkgdesc="A quantum chemistry and solid state physics software package (mingw-w64)"
|
|
arch=('any')
|
|
mingw_arch=('ucrt64')
|
|
url='https://www.cp2k.org'
|
|
msys2_repository_url="https://github.com/cp2k/cp2k"
|
|
license=('spdx:GPL-2.0-or-later')
|
|
depends=("${MINGW_PACKAGE_PREFIX}-fftw"
|
|
"${MINGW_PACKAGE_PREFIX}-dbcsr"
|
|
$([[ ${MINGW_PACKAGE_PREFIX} == *-clang-* ]] || echo "${MINGW_PACKAGE_PREFIX}-gcc-libgfortran")
|
|
"${MINGW_PACKAGE_PREFIX}-libint2"
|
|
"${MINGW_PACKAGE_PREFIX}-libxc"
|
|
"${MINGW_PACKAGE_PREFIX}-omp"
|
|
"${MINGW_PACKAGE_PREFIX}-openblas"
|
|
"${MINGW_PACKAGE_PREFIX}-spglib")
|
|
makedepends=("${MINGW_PACKAGE_PREFIX}-cc"
|
|
"${MINGW_PACKAGE_PREFIX}-fc"
|
|
"${MINGW_PACKAGE_PREFIX}-cmake"
|
|
"${MINGW_PACKAGE_PREFIX}-ninja"
|
|
#$([[ ${CARCH} != x86_64 ]] || echo "${MINGW_PACKAGE_PREFIX}-libxsmm")
|
|
"${MINGW_PACKAGE_PREFIX}-python")
|
|
source=("https://github.com/cp2k/cp2k/releases/download/v${pkgver}/${_realname}-${pkgver}.tar.bz2"
|
|
"001-fix-build-on-mingw-w64.patch")
|
|
sha256sums=('65c8ad5488897b0f995919b9fa77f2aba4b61677ba1e3c19bb093d5c08a8ce1d'
|
|
'd60efc3d43e55aef81480794b698ccbcb40cf4d936859ac64b69436c00dc713d')
|
|
|
|
prepare() {
|
|
cd ${_realname}-${pkgver}
|
|
patch -p1 -i "${srcdir}"/001-fix-build-on-mingw-w64.patch
|
|
}
|
|
|
|
build() {
|
|
declare -a _extra_config
|
|
if check_option "debug" "n"; then
|
|
_extra_config+=("-DCMAKE_BUILD_TYPE=Release")
|
|
else
|
|
_extra_config+=("-DCMAKE_BUILD_TYPE=Debug")
|
|
fi
|
|
|
|
# if [[ ${CARCH} == x86_64 ]]; then
|
|
# _extra_config+=("-DCP2K_USE_LIBXSMM=ON")
|
|
# else
|
|
# _extra_config+=("-DCP2K_USE_LIBXSMM=OFF")
|
|
# fi
|
|
|
|
FFLAGS=" -D__MINGW -D__NO_STATM_ACCESS -D__NO_SOCKETS" \
|
|
CFLAGS+=" -D__NO_SOCKETS" \
|
|
MSYS2_ARG_CONV_EXCL="-DCMAKE_INSTALL_PREFIX=" \
|
|
"${MINGW_PREFIX}"/bin/cmake.exe \
|
|
-GNinja \
|
|
-DCMAKE_INSTALL_PREFIX="${MINGW_PREFIX}" \
|
|
"${_extra_config[@]}" \
|
|
-DBUILD_SHARED_LIBS=ON \
|
|
-DCP2K_USE_LIBINT2=ON \
|
|
-DCP2K_USE_LIBXC=ON \
|
|
-DCP2K_USE_SPGLIB=ON \
|
|
-DCP2K_USE_MPI=OFF \
|
|
-DCP2K_BLAS_VENDOR=OpenBLAS \
|
|
-DPython_EXECUTABLE=${MINGW_PREFIX}/bin/python \
|
|
-S "${_realname}-${pkgver}" \
|
|
-B "build-${MSYSTEM}"
|
|
|
|
"${MINGW_PREFIX}"/bin/cmake.exe --build "build-${MSYSTEM}"
|
|
}
|
|
|
|
package() {
|
|
DESTDIR="${pkgdir}" "${MINGW_PREFIX}"/bin/cmake.exe --install "build-${MSYSTEM}"
|
|
|
|
install -Dm644 "${srcdir}"/${_realname}-${pkgver}/LICENSE \
|
|
"${pkgdir}"${MINGW_PREFIX}/share/licenses/${_realname}/LICENSE
|
|
}
|