Updated to 9.2

2 files changed, 35 insertions, 27 deletions

diff --git a/.SRCINFO b/.SRCINFO
index 979389208698..f39a30ee3475 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -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
 
diff --git a/PKGBUILD b/PKGBUILD
index f84fa91cf822..ae4db31086d9 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -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
 }