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author | a.kudelin | 2020-03-08 21:09:09 +0300 |
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committer | a.kudelin | 2020-03-08 21:09:09 +0300 |
commit | 6f980850e0bd154da68965215e205014b9cefd3b (patch) | |
tree | 6bbf69bfce6a7960dc1dc59ba615d0f46ed4e7fe | |
parent | 3089a48662baaf6a97f7b5a9d10904e3fbb74df4 (diff) | |
download | aur-6f980850e0bd154da68965215e205014b9cefd3b.tar.gz |
Updated to 9.2
-rw-r--r-- | .SRCINFO | 9 | ||||
-rw-r--r-- | PKGBUILD | 53 |
2 files changed, 35 insertions, 27 deletions
@@ -1,21 +1,20 @@ pkgbase = octopus pkgdesc = Real-space Time-Dependent Density Functional Theory code - pkgver = 9.1 + pkgver = 9.2 pkgrel = 1 url = https://octopus-code.org arch = x86_64 license = LGPL checkdepends = procps-ng makedepends = gcc-fortran - makedepends = sed - depends = scalapack + depends = elpa depends = gd depends = gsl depends = libxc depends = libvdwxc depends = perl - source = https://gitlab.com/octopus-code/octopus/-/archive/9.1/octopus-9.1.tar.bz2 - sha256sums = 2d3322855d38ec417418b7293df87469c7c85a428f2de46238008f0d1c07ee32 + source = https://gitlab.com/octopus-code/octopus/-/archive/9.2/octopus-9.2.tar.bz2 + sha256sums = 20bed6d1450205373e1500a38110d911bca4f38aa154c26ed877821d9eae0d1e pkgname = octopus @@ -2,44 +2,53 @@ # Contributor: Scott Tincman <sctincman at gmail dot com> pkgname=octopus -pkgver=9.1 +pkgver=9.2 pkgrel=1 pkgdesc="Real-space Time-Dependent Density Functional Theory code" arch=('x86_64') url="https://octopus-code.org" license=('LGPL') -depends=('scalapack' 'gd' 'gsl' 'libxc' 'libvdwxc' 'perl') -makedepends=('gcc-fortran' 'sed') +depends=('elpa' 'gd' 'gsl' 'libxc' 'libvdwxc' 'perl') +makedepends=('gcc-fortran') checkdepends=('procps-ng') source=("https://gitlab.com/octopus-code/$pkgname/-/archive/$pkgver/$pkgname-$pkgver.tar.bz2") -sha256sums=('2d3322855d38ec417418b7293df87469c7c85a428f2de46238008f0d1c07ee32') +sha256sums=('20bed6d1450205373e1500a38110d911bca4f38aa154c26ed877821d9eae0d1e') prepare() { - cd $srcdir/$pkgname-$pkgver - autoreconf -if + cd "$srcdir/$pkgname-$pkgver" + autoreconf -if + export _elpaver=$( ls /usr/include | grep elpa | sed 's/elpa_openmp-//g' ) + export OPTFLAGS="-O2 -march=native -ftree-vectorize" } build() { - cd $srcdir/$pkgname-$pkgver - ./configure \ - --prefix=/usr \ - --enable-mpi \ - --with-scalapack="-lscalapack" \ - --with-blacs="-lscalapack" - make + cd "$srcdir/$pkgname-$pkgver" + ./configure \ + --prefix=/usr \ + --enable-mpi \ + --enable-vectors \ + --with-scalapack="-lscalapack" \ + --with-blacs="-lscalapack" \ + --with-elpa-prefix=/usr \ + FCFLAGS_ELPA="-I/usr/include/elpa_openmp-$_elpaver/modules" \ + LIBS_ELPA="-lelpa_openmp" \ + CFLAGS="$OPTFLAGS" \ + CXXFLAGS="$OPTFLAGS" \ + FCFLAGS="$OPTFLAGS" + make } check() { - cd $srcdir/$pkgname-$pkgver - for t in testsuite/photo_electron/*.test - do - sed -i "s/Yes/No/g" $t - done - sed -i "s/Yes/No/g" testsuite/finite_systems_3d/14-fullerene_unpacked.test - make check + cd "$srcdir/$pkgname-$pkgver" + for t in testsuite/photo_electron/*.test + do + sed -i "s/Yes/No/g" $t + done + sed -i "s/Yes/No/g" testsuite/finite_systems_3d/14-fullerene_unpacked.test + make check } package() { - cd $srcdir/$pkgname-$pkgver - make DESTDIR=$pkgdir install + cd "$srcdir/$pkgname-$pkgver" + make DESTDIR="$pkgdir" install } |