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authorXyne2017-09-09 03:09:46 +0000
committerXyne2017-09-09 03:09:46 +0000
commit237a6e6c03cd647460f72ebe7c9dcc5a26cb4d77 (patch)
tree4541d8c45980a3402e1d25e3ca51191e28c8175c
parent331f20016098b2d5a99823840cd1dda483a3e003 (diff)
downloadaur-237a6e6c03cd647460f72ebe7c9dcc5a26cb4d77.tar.gz
updated to 8.4.3
-rw-r--r--.SRCINFO13
-rw-r--r--PKGBUILD24
-rw-r--r--random_seed.patch22
3 files changed, 45 insertions, 14 deletions
diff --git a/.SRCINFO b/.SRCINFO
index 7525b61049eb..9f2cb8f7fe1f 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,10 +1,10 @@
# Generated by mksrcinfo v8
-# Sat Jun 18 20:30:56 UTC 2016
+# Sat Sep 9 03:09:16 UTC 2017
pkgbase = abinit
pkgdesc = Full-featured atomic-scale first-principles simulation software.
- pkgver = 8.0.7
+ pkgver = 8.4.3
pkgrel = 1
- url = http://www.abinit.org
+ url = https://www.abinit.org/
arch = i686
arch = x86_64
license = GPLv3
@@ -14,9 +14,10 @@ pkgbase = abinit
depends = blas
depends = openmpi
depends = atompaw
- source = http://ftp.abinit.org/abinit-8.0.7.tar.gz
- md5sums = 90797b01b7c67d87e6024bb4994d477c
- sha256sums = 9df2fe572af39cef937a4134d569321b99c6670f187edbac9b355ff2defd5afc
+ source = https://www.abinit.org/sites/default/files/packages/abinit-8.4.3.tar.gz
+ source = random_seed.patch
+ sha512sums = 973502a1e8aa575cb3176b021be124ebc856e85ab98037f7e9656caa439853629eb0d96c05ccf871d60c1efa36c2dd776975a977415fe53c9908d78818be1ebb
+ sha512sums = 4ebf3ae37387e5dcb2cfcd6fa2fc4f250f7a827f7b0be34585817d2fcd69de14bbc2aeb68e433e41899e5beffbf18576608d592aa02e07100da47b25170038d5
pkgname = abinit
diff --git a/PKGBUILD b/PKGBUILD
index d02e73cf7b66..383795847011 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -2,26 +2,34 @@
# Maintainer: Xyne
pkgname=abinit
-pkgver=8.0.7
+pkgver=8.4.3
pkgrel=1
pkgdesc="Full-featured atomic-scale first-principles simulation software."
arch=('i686' 'x86_64')
-url="http://www.abinit.org"
+url="https://www.abinit.org/"
license=('GPLv3')
depends=('lapack' 'blas' 'openmpi' 'atompaw')
makedepends=('gcc-fortran' 'perl')
-source=(http://ftp.abinit.org/${pkgname}-${pkgver}.tar.gz)
+source=(
+ "https://www.abinit.org/sites/default/files/packages/$pkgname-$pkgver.tar.gz"
+ random_seed.patch
+)
+
+prepare() {
+ # See https://forum.abinit.org/viewtopic.php?f=3&t=3615
+ patch "$srcdir/$pkgname-$pkgver/src/67_common/m_vcoul.F90" < "$srcdir/random_seed.patch"
+}
build() {
- cd -- "${srcdir}/${pkgname}-${pkgver}"
+ cd -- "$srcdir/$pkgname-$pkgver"
./configure --prefix=/usr #--disable-all-plugins
make
}
package() {
- cd -- "${srcdir}/${pkgname}-${pkgver}"
- make DESTDIR="${pkgdir}" install
+ cd -- "$srcdir/$pkgname-$pkgver"
+ make DESTDIR="$pkgdir" install
}
-md5sums=('90797b01b7c67d87e6024bb4994d477c')
-sha256sums=('9df2fe572af39cef937a4134d569321b99c6670f187edbac9b355ff2defd5afc')
+sha512sums=('973502a1e8aa575cb3176b021be124ebc856e85ab98037f7e9656caa439853629eb0d96c05ccf871d60c1efa36c2dd776975a977415fe53c9908d78818be1ebb'
+ '4ebf3ae37387e5dcb2cfcd6fa2fc4f250f7a827f7b0be34585817d2fcd69de14bbc2aeb68e433e41899e5beffbf18576608d592aa02e07100da47b25170038d5')
diff --git a/random_seed.patch b/random_seed.patch
new file mode 100644
index 000000000000..fb28437602f6
--- /dev/null
+++ b/random_seed.patch
@@ -0,0 +1,22 @@
+diff --git a/src/67_common/m_vcoul.F90 b/src/67_common/m_vcoul.F90
+index 4648b80..2ddc638 100644
+--- a/src/67_common/m_vcoul.F90
++++ b/src/67_common/m_vcoul.F90
+@@ -223,7 +223,7 @@ subroutine vcoul_init(Vcp,Gsph,Cryst,Qmesh,Kmesh,rcut,icutcoul,vcutgeo,ecut,ng,n
+ integer :: i1,i2,i3,ig,imc
+ integer :: ii,iqlwl,iq_bz,iq_ibz,npar,npt
+ integer :: opt_cylinder,opt_surface,test,rank,nprocs
+- integer :: seed(12)=0
++ integer :: seed(42)=0
+ real(dp),parameter :: tolq0=1.d-3
+ real(dp) :: b1b1,b2b2,b3b3,b1b2,b2b3,b3b1
+ real(dp) :: bz_geometry_factor,bz_plane,check,dx,integ,q0_vol,q0_volsph
+@@ -345,7 +345,7 @@ subroutine vcoul_init(Vcp,Gsph,Cryst,Qmesh,Kmesh,rcut,icutcoul,vcutgeo,ecut,ng,n
+ ABI_MALLOC(qran,(3,nmc_max))
+
+ if(seed(1)==0) then
+- do i1=1,12
++ do i1=1,42
+ seed(i1) = NINT(SQRT(DBLE(i1)*103731))
+ end do
+ end if \ No newline at end of file