Initial commit

2 files changed, 54 insertions, 0 deletions

diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..f5fa4460440d
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,18 @@
+pkgbase = siesta
+	pkgdesc = A first-principles materials simulation code using DFT
+	pkgver = 4.0.2
+	pkgrel = 1
+	url = https://departments.icmab.es/leem/siesta
+	arch = x86_64
+	license = GPL
+	makedepends = sed
+	depends = gcc-fortran
+	depends = openmpi
+	depends = blas
+	depends = lapack
+	depends = scalapack
+	source = https://launchpad.net/siesta/4.0/4.0.2/+download/siesta-4.0.2.tar.gz
+	sha256sums = bafbda19358f0c1dd39bb1253c92ee548791a1c0f648977051d2657216874f7e
+
+pkgname = siesta
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..92f52e98086f
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,36 @@
+# Maintainer: Anton Kudelin <kudelin at protonmail dot com>
+
+pkgname=siesta
+pkgver=4.0.2
+pkgrel=1
+pkgdesc="A first-principles materials simulation code using DFT"
+arch=("x86_64")
+url="https://departments.icmab.es/leem/siesta"
+license=('GPL')
+depends=('gcc-fortran' 'openmpi' 'blas' 'lapack' 'scalapack')
+makedepends=('sed')
+source=("https://launchpad.net/$pkgname/4.0/$pkgver/+download/$pkgname-$pkgver.tar.gz")
+sha256sums=('bafbda19358f0c1dd39bb1253c92ee548791a1c0f648977051d2657216874f7e')
+
+build() {
+    cd $pkgname-$pkgver/Obj
+    ../Src/obj_setup.sh
+    ../Src/configure \
+                    --prefix=/usr \
+                    --enable-mpi \
+                    --with-lapack="-llapack" \
+                    FCFLAGS="$CFLAGS"
+    make -j1
+    cd ../Util
+    sed -i "s/ make/ make -j1/g" build_all.sh
+    ./build_all.sh
+}
+
+package() {
+    cd $pkgname-$pkgver
+    install -dm755 $pkgdir/opt/siesta/bin
+    install -dm755 $pkgdir/usr/{bin,share/siesta}
+    find ./Util -type f ! -name "*.sh" -executable -exec install -m755 {} "$pkgdir/opt/siesta/bin" ";"
+    install -m755 ./Obj/siesta $pkgdir/opt/siesta/bin
+    ln -sf $pkgdir/opt/siesta/bin/siesta $pkgdir/usr/bin
+}