diff options
-rw-r--r-- | .SRCINFO | 13 | ||||
-rw-r--r-- | PKGBUILD | 24 | ||||
-rw-r--r-- | random_seed.patch | 22 |
3 files changed, 45 insertions, 14 deletions
@@ -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 @@ -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
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