diff options
author | Mr.Smith1974 | 2023-06-05 09:38:38 +0300 |
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committer | Mr.Smith1974 | 2023-06-05 09:38:38 +0300 |
commit | e9973bd76497b4746efbe62aef16353ef223d905 (patch) | |
tree | 9700dd0c41896ea5b52a05044dbd3a20ce519059 | |
parent | d1d9eaa60ae705043d4b07b94f6253005dc8b7f1 (diff) | |
download | aur-e9973bd76497b4746efbe62aef16353ef223d905.tar.gz |
Updated
-rw-r--r-- | .SRCINFO | 12 | ||||
-rw-r--r-- | 0001-Update-build_libint.cc.patch | 29 | ||||
-rw-r--r-- | PKGBUILD | 56 |
3 files changed, 33 insertions, 64 deletions
@@ -1,7 +1,7 @@ pkgbase = libint2 pkgdesc = A high-performance library for computing Gaussian integrals in quantum mechanics - pkgver = 2.6.0 - pkgrel = 2 + pkgver = 2.7.2 + pkgrel = 1 url = https://github.com/evaleev/libint arch = x86_64 license = GPL @@ -10,12 +10,10 @@ pkgbase = libint2 makedepends = cmake makedepends = automake makedepends = autoconf + makedepends = eigen depends = boost options = staticlibs - source = https://github.com/evaleev/libint/archive/v2.6.0.tar.gz - source = 0001-Update-build_libint.cc.patch - sha256sums = 4ae47e8f0b5632c3d2a956469a7920896708e9f0e396ec10071b8181e4c8d9fa - sha256sums = 22fea5b46e61ad3a08f2b9ea9a898dc8c29faa77db06dfd45cdc8e9046286a6e + source = https://github.com/evaleev/libint/archive/v2.7.2.tar.gz + sha256sums = fd0466ce9eb6786b8c5bbe3d510e387ed44b198a163264dfd7e60b337e295fd9 pkgname = libint2 - diff --git a/0001-Update-build_libint.cc.patch b/0001-Update-build_libint.cc.patch deleted file mode 100644 index 05774194e1f6..000000000000 --- a/0001-Update-build_libint.cc.patch +++ /dev/null @@ -1,29 +0,0 @@ -From 36e61e6b5a5bbc779b89badb79b8e034ed3fc4c4 Mon Sep 17 00:00:00 2001 -From: "Lori A. Burns" <lori.burns@gmail.com> -Date: Thu, 3 Oct 2019 19:13:55 -0400 -Subject: [PATCH] Update build_libint.cc - ---- - src/bin/libint/build_libint.cc | 7 ++++++- - 1 file changed, 6 insertions(+), 1 deletion(-) - -diff --git a/src/bin/libint/build_libint.cc b/src/bin/libint/build_libint.cc -index 1b1da8c..626c651 100644 ---- a/src/bin/libint/build_libint.cc -+++ b/src/bin/libint/build_libint.cc -@@ -785,7 +785,12 @@ BOOST_PP_LIST_FOR_EACH ( BOOST_PP_ONEBODY_MCR1, _, BOOST_PP_ONEBODY_TASK_LIST) - } - #else - iface->to_params(iface->macro_define("MAX_AM",LIBINT_MAX_AM)); -- iface->to_params(iface->macro_define("MAX_AM_default",LIBINT_MAX_AM)); -+ for(unsigned int d=0; d<=INCLUDE_ERI; ++d) { -+ std::ostringstream oss; -+ oss << "MAX_AM_default"; -+ if (d > 0) oss << d; -+ iface->to_params(iface->macro_define(oss.str(),LIBINT_MAX_AM)); -+ } - #endif - cparams->print(os); - --- -2.24.1 @@ -3,27 +3,23 @@ _pkgname=libint pkgname=libint2 -pkgver=2.6.0 -pkgrel=2 +pkgver=2.7.2 +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') -source=("https://github.com/evaleev/libint/archive/v${pkgver}.tar.gz" - "0001-Update-build_libint.cc.patch") -sha256sums=('4ae47e8f0b5632c3d2a956469a7920896708e9f0e396ec10071b8181e4c8d9fa' - '22fea5b46e61ad3a08f2b9ea9a898dc8c29faa77db06dfd45cdc8e9046286a6e') +makedepends=('python' 'gcc-fortran' 'cmake' 'automake' 'autoconf' 'eigen') +source=("https://github.com/evaleev/libint/archive/v${pkgver}.tar.gz") +sha256sums=('fd0466ce9eb6786b8c5bbe3d510e387ed44b198a163264dfd7e60b337e295fd9') options=(staticlibs) + prepare() { cd "${srcdir}/${_pkgname}-${pkgver}" - patch -Np1 -i "${srcdir}/0001-Update-build_libint.cc.patch" - ./autogen.sh - mkdir "$srcdir/build" # Detecting FMA support if [ $( gcc -march=native -dM -E - < /dev/null | egrep "FMA__" | tail -c 2 ) \ @@ -45,9 +41,15 @@ prepare() { } build() { - cd "${srcdir}/build" + ## generating libint library + tarball_build_dir="${srcdir}/prepare_tarball" + libint_build_dir="${srcdir}/build_libint" + + # create dir for building tarball + mkdir -p "$tarball_build_dir" - # Generating code with desirable features such as fortran interface + # run conf from building tarball dir + cd "$tarball_build_dir" ../$_pkgname-$pkgver/configure \ --enable-eri=1 \ --enable-eri2=1 \ @@ -60,27 +62,25 @@ build() { --with-opt-am=3 make export - # Actual compilation of LIBINT - tar xzf $_pkgname-$pkgver.tgz - cd "$_pkgname-$pkgver" + ## compiling libint library + # create dir for building libint + mkdir -p "$libint_build_dir" - ./configure \ - --prefix=/usr \ - --libdir=/usr/lib \ - --enable-fortran \ - --with-cxx=g++ \ - --with-cxx-optflags="$CXXFLAGS" - make + 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() { - cd "$srcdir/build/$_pkgname-$pkgver" - - make check + libint_build_dir="${srcdir}/build_libint" + cd "$libint_build_dir/${_pkgname}-${pkgver}" + cmake --build . check } package() { - cd "$srcdir/build/$_pkgname-$pkgver" - - make DESTDIR=$pkgdir install + libint_build_dir="${srcdir}/build_libint" + cd "$libint_build_dir/${_pkgname}-${pkgver}" + DESTDIR="$pkgdir" cmake --install . } |