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author | Anton Kudelin | 2021-11-27 18:05:26 +0200 |
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committer | Anton Kudelin | 2021-11-27 18:05:26 +0200 |
commit | 2aef85ef939b9dc009d4ee9f395e6dd23ddccfb3 (patch) | |
tree | 6b19589200167b08206300aeba5eb4a129410461 | |
parent | 5800b7a9fa4f17cf3887bd417fa628ffa924fa08 (diff) | |
download | aur-2aef85ef939b9dc009d4ee9f395e6dd23ddccfb3.tar.gz |
updpkg: 11.3
-rw-r--r-- | .SRCINFO | 14 | ||||
-rw-r--r-- | PKGBUILD | 64 |
2 files changed, 44 insertions, 34 deletions
@@ -1,7 +1,7 @@ pkgbase = octopus pkgdesc = Real-space Time-Dependent Density Functional Theory code - pkgver = 9.2 - pkgrel = 3 + pkgver = 11.3 + pkgrel = 1 url = https://octopus-code.org arch = x86_64 license = LGPL @@ -13,8 +13,12 @@ pkgbase = octopus depends = libxc depends = libvdwxc depends = netcdf-fortran - source = https://gitlab.com/octopus-code/octopus/-/archive/9.2/octopus-9.2.tar.bz2 - sha256sums = 20bed6d1450205373e1500a38110d911bca4f38aa154c26ed877821d9eae0d1e + depends = parmetis + depends = nlopt + depends = cgal + depends = clfft + depends = clblas + source = https://octopus-code.org/down.php?file=11.3/octopus-11.3.tar.gz + sha256sums = 0c98417071b5e38ba6cbdd409adf917837c387a010e321c0a7f94d9bd9478930 pkgname = octopus - @@ -1,54 +1,60 @@ -# Maintainer: Anton Kudelin <kudelin at protonmail dot com> +# Maintainer: Anton Kudelin <kudelin at protonmail dot com> # Contributor: Scott Tincman <sctincman at gmail dot com> pkgname=octopus -pkgver=9.2 -pkgrel=3 +pkgver=11.3 +pkgrel=1 pkgdesc="Real-space Time-Dependent Density Functional Theory code" arch=('x86_64') url="https://octopus-code.org" license=('LGPL') -depends=('elpa' 'gd' 'gsl' 'libxc' 'libvdwxc' 'netcdf-fortran') +depends=('elpa' 'gd' 'gsl' 'libxc' 'libvdwxc' 'netcdf-fortran' 'parmetis' + 'nlopt' 'cgal' 'clfft' 'clblas') makedepends=('gcc-fortran') checkdepends=('procps-ng') -source=("https://gitlab.com/octopus-code/$pkgname/-/archive/$pkgver/$pkgname-$pkgver.tar.bz2") -sha256sums=('20bed6d1450205373e1500a38110d911bca4f38aa154c26ed877821d9eae0d1e') +source=("$url/down.php?file=$pkgver/$pkgname-$pkgver.tar.gz") +sha256sums=('0c98417071b5e38ba6cbdd409adf917837c387a010e321c0a7f94d9bd9478930') prepare() { - cd "$srcdir/$pkgname-$pkgver" - autoreconf -if + mkdir -p "$srcdir/build" + autoreconf -if "$srcdir/$pkgname-$pkgver" export _elpaver=$( ls /usr/include | grep elpa | sed 's/elpa_openmp-//g' ) export OPTFLAGS="-O3 -march=native" } build() { - 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="$OPTFLAGS -fallow-argument-mismatch -fallow-invalid-boz" + cd "$srcdir/build" + ../$pkgname-$pkgver/configure \ + --prefix=/usr \ + --enable-mpi \ + --enable-vectors \ + --with-scalapack="-lscalapack" \ + --with-blacs="-lscalapack" \ + --with-elpa-prefix=/usr \ + --with-cgal=/usr \ + --with-clfft-prefix=/usr \ + --with-clblas-prefix=/usr \ + FCFLAGS_ELPA="-I/usr/include/elpa_openmp-$_elpaver/modules" \ + LIBS_ELPA="-lelpa_openmp" \ + CFLAGS="$OPTFLAGS" \ + CXXFLAGS="$OPTFLAGS" \ + FCFLAGS="$OPTFLAGS -fallow-argument-mismatch -fallow-invalid-boz" 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/testsuite" + sed -i "s/Yes/No/g" \ + finite_systems_1d/02-neon_mpi.test \ + functionals/18-mgga.test \ + real_time/01-propagators.test \ + real_time/06-caetrs.test + + cd "../../build" + make check-short } package() { - cd "$srcdir/$pkgname-$pkgver" + cd "$srcdir/build" make DESTDIR="$pkgdir" install } |