Updated to 9.1

2 files changed, 47 insertions, 34 deletions

diff --git a/.SRCINFO b/.SRCINFO
index d7978041da80..979389208698 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,21 +1,21 @@
 pkgbase = octopus
-	pkgdesc = A scientific program aimed at ab initio virtual experimentation
-	pkgver = 6.0
-	pkgrel = 2
-	url = http://www.tddft.org/programs/octopus/
-	arch = i686
+	pkgdesc = Real-space Time-Dependent Density Functional Theory code
+	pkgver = 9.1
+	pkgrel = 1
+	url = https://octopus-code.org
 	arch = x86_64
-	license = GPL
-	makedepends = gcc
+	license = LGPL
+	checkdepends = procps-ng
 	makedepends = gcc-fortran
+	makedepends = sed
+	depends = scalapack
+	depends = gd
 	depends = gsl
-	depends = fftw
-	depends = arpack
 	depends = libxc
-	depends = gd
-	depends = libyaml
-	source = http://www.tddft.org/programs/octopus/download/6.0/octopus-6.0.tar.gz
-	sha256sums = 4a802ee86c1e06846aa7fa317bd2216c6170871632c9e03d020d7970a08a8198
+	depends = libvdwxc
+	depends = perl
+	source = https://gitlab.com/octopus-code/octopus/-/archive/9.1/octopus-9.1.tar.bz2
+	sha256sums = 2d3322855d38ec417418b7293df87469c7c85a428f2de46238008f0d1c07ee32
 
 pkgname = octopus
 
diff --git a/PKGBUILD b/PKGBUILD
index f709671008ae..f84fa91cf822 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,32 +1,45 @@
-# Maintainer: Scott Tincman <sctincman at gmail dot com>
+# Maintainer: Anton Kudelin <kudelin at protonmail dot com>
+# Contributor: Scott Tincman <sctincman at gmail dot com>
 
 pkgname=octopus
-pkgver=6.0
-pkgrel=2
-pkgdesc="A scientific program aimed at ab initio virtual experimentation"
-arch=('i686' 'x86_64')
-url="http://www.tddft.org/programs/octopus/"
-license=('GPL')
-depends=('gsl' 'fftw' 'arpack' 'libxc' 'gd' 'libyaml')
-makedepends=('gcc' 'gcc-fortran')
-source=(http://www.tddft.org/programs/octopus/download/${pkgver}/octopus-${pkgver}.tar.gz)
-sha256sums=('4a802ee86c1e06846aa7fa317bd2216c6170871632c9e03d020d7970a08a8198')
+pkgver=9.1
+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')
+checkdepends=('procps-ng')
+source=("https://gitlab.com/octopus-code/$pkgname/-/archive/$pkgver/$pkgname-$pkgver.tar.bz2")
+sha256sums=('2d3322855d38ec417418b7293df87469c7c85a428f2de46238008f0d1c07ee32')
+
+prepare() {
+    cd $srcdir/$pkgname-$pkgver
+    autoreconf -if
+}
 
 build() {
-  cd "$srcdir/$pkgname-$pkgver"
-  ./configure --prefix=/usr --enable-newuoa --enable-openmp --disable-internal-libyaml
-  make
+    cd $srcdir/$pkgname-$pkgver
+    ./configure \
+                --prefix=/usr \
+                --enable-mpi \
+                --with-scalapack="-lscalapack" \
+                --with-blacs="-lscalapack"
+    make
 }
 
 check() {
-  cd "$srcdir/$pkgname-$pkgver"
-  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
-
-  # This yaml.h file is still copied regardless...
-  rm ${pkgdir}/usr/include/yaml.h
+    cd $srcdir/$pkgname-$pkgver
+    make DESTDIR=$pkgdir install
 }