a356db6a1f
This configuration takes less time to generate and build. The previous configuration was meant to be compatible with psi4, but It turns out psi4 is much complicated.
126 lines
4.3 KiB
Bash
126 lines
4.3 KiB
Bash
# Contributor: Mehdi Chinoune <mehdi.chinoune@hotmail.com>
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_realname=libint
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pkgbase=mingw-w64-${_realname}2
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pkgname=("${MINGW_PACKAGE_PREFIX}-${_realname}2")
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pkgver=2.9.0
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pkgrel=2
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pkgdesc="high-performance library for computing Gaussian integrals in quantum mechanics (mingw-w64)"
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arch=('any')
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mingw_arch=('ucrt64' 'clang64' 'clangarm64')
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url='https://github.com/evaleev/libint'
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msys2_references=(
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'aur: libint2'
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)
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license=('spdx:LGPL-3.0-or-later')
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makedepends=("${MINGW_PACKAGE_PREFIX}-cc"
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"${MINGW_PACKAGE_PREFIX}-autotools"
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"${MINGW_PACKAGE_PREFIX}-fc"
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"${MINGW_PACKAGE_PREFIX}-cmake"
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"${MINGW_PACKAGE_PREFIX}-ninja"
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"${MINGW_PACKAGE_PREFIX}-boost"
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"${MINGW_PACKAGE_PREFIX}-eigen3"
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"${MINGW_PACKAGE_PREFIX}-gmp"
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"${MINGW_PACKAGE_PREFIX}-mpfr"
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"${MINGW_PACKAGE_PREFIX}-python")
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optdepends=("${MINGW_PACKAGE_PREFIX}-boost"
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"${MINGW_PACKAGE_PREFIX}-eigen3"
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"${MINGW_PACKAGE_PREFIX}-gmp"
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"${MINGW_PACKAGE_PREFIX}-mpfr")
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source=("https://github.com/evaleev/libint/archive/v${pkgver}/${_realname}-${pkgver}.tar.gz"
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#https://github.com/evaleev/libint/releases/download/v${pkgver}/${_realname}-${pkgver}.tgz
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"001-fix-build-on-mingw.patch"
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"002-cmake-fix-build-on-mingw.patch::https://github.com/evaleev/libint/commit/7720248d.patch")
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sha256sums=('4929b2f2d3e53479270be052e366e8c70fa154a7f309e5c2c23b7d394159687d'
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'd60290391aad41601495b0717c53d8b888327e6c67932d633c3e731016626f80'
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'723b3a7520bd4cce149092e5ee104aa19d61ca99ce64b52de18a7215861b3006')
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noextract=("${_realname}-${pkgver}.tar.gz")
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_generate_source() {
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cd "${srcdir}"
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mkdir -p generated && cd generated
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local LMAX=5
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../${_realname}-${pkgver}/configure \
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--srcdir=../${_realname}-${pkgver} \
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--with-cxxgen-optflags="${CXXFLAGS}" \
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--enable-eri=1 \
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--enable-eri3=1 \
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--enable-eri2=1 \
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--with-max-am=${LMAX} \
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--with-opt-am=3 \
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--with-eri-max-am=${LMAX},$((LMAX-1)) \
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--with-eri2-max-am=$((LMAX+2)),$((LMAX+1)) \
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--with-eri3-max-am=$((LMAX+2)),$((LMAX+1)) \
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--with-multipole-max-order=4 \
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--enable-generic-code \
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--disable-unrolling
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sed -s "s|\.\.\.|..|g" -i Makefile
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make export
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}
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prepare() {
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echo "Extracting ${_realname}-${pkgver}.tar.gz..."
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tar -xzf ${_realname}-${pkgver}.tar.gz || true
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cd "${srcdir}"/${_realname}-${pkgver}
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patch -p1 -i "${srcdir}"/001-fix-build-on-mingw.patch
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patch -p1 -i "${srcdir}"/002-cmake-fix-build-on-mingw.patch
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mv lib/basis/6-31g\*.g94 lib/basis/6-31gs.g94
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mv lib/basis/6-31g\*\*.g94 lib/basis/6-31gss.g94
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mv lib/basis/6-311g\*\*.g94 lib/basis/6-311gss.g94
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./autogen.sh
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_generate_source
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cd "${srcdir}"/generated
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tar -xzf ${_realname}-${pkgver}.tgz
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}
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build() {
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declare -a extra_config
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if check_option "debug" "n"; then
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extra_config+=("-DCMAKE_BUILD_TYPE=Release")
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else
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extra_config+=("-DCMAKE_BUILD_TYPE=Debug")
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fi
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MSYS2_ARG_CONV_EXCL="-DCMAKE_INSTALL_PREFIX=" \
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"${MINGW_PREFIX}"/bin/cmake.exe \
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-GNinja \
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-DCMAKE_INSTALL_PREFIX="${MINGW_PREFIX}" \
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"${extra_config[@]}" \
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-DBUILD_SHARED_LIBS=ON \
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-DCMAKE_DLL_NAME_WITH_SOVERSION=ON \
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-DENABLE_FORTRAN=ON \
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-DENABLE_MPFR=ON \
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-DPython_EXECUTABLE=${MINGW_PREFIX}/bin/python \
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-S generated/${_realname}-${pkgver} \
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-B build-${MSYSTEM}
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"${MINGW_PREFIX}"/bin/cmake.exe --build "build-${MSYSTEM}"
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}
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package() {
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DESTDIR="${pkgdir}" "${MINGW_PREFIX}"/bin/cmake.exe --install "build-${MSYSTEM}"
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local PREFIX_WIN=$(cygpath -wm ${MINGW_PREFIX})
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for _f in "${pkgdir}${MINGW_PREFIX}"/lib/cmake/libint2/*.cmake; do
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sed -e "s|${PREFIX_WIN}|\$\{_IMPORT_PREFIX\}|g" -i ${_f}
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sed -e "s|${MINGW_PREFIX}|\$\{_IMPORT_PREFIX\}|g" -i ${_f}
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done
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# Remove some unrequired files
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find "${pkgdir}"${MINGW_PREFIX}/ -type f -name '\._*' -exec rm {} \;
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install -Dm644 "${srcdir}"/${_realname}-${pkgver}/LICENSE \
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"${pkgdir}"${MINGW_PREFIX}/share/licenses/${_realname}2/LICENSE
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install -Dm644 "${srcdir}"/${_realname}-${pkgver}/COPYING \
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"${pkgdir}"${MINGW_PREFIX}/share/licenses/${_realname}2/COPYING
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install -Dm644 "${srcdir}"/${_realname}-${pkgver}/COPYING.LESSER \
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"${pkgdir}"${MINGW_PREFIX}/share/licenses/${_realname}2/COPYING.LESSER
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}
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