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authorViktor Drobot2019-11-20 14:30:50 +0300
committerViktor Drobot2019-11-20 14:30:50 +0300
commite388fcd85ee8c43bc56e3ced5dfb03e3b72cfa58 (patch)
tree9d9622c82c627f6236c8308d245302648b5c5fe1
parent0ae8a92dbeacbcf4ce845e29e8ca1c531c5a3cf4 (diff)
downloadaur-e388fcd85ee8c43bc56e3ced5dfb03e3b72cfa58.tar.gz
Update for GCC 8
-rw-r--r--.SRCINFO18
-rw-r--r--PKGBUILD22
-rw-r--r--pmemd.cuda2
-rw-r--r--pmemd.cuda.MPI2
-rw-r--r--pmemd.cuda_DPFP2
-rw-r--r--pmemd.cuda_DPFP.MPI2
6 files changed, 24 insertions, 24 deletions
diff --git a/.SRCINFO b/.SRCINFO
index 43cc11f223b6..c162aea67478 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,22 +1,22 @@
pkgbase = pmemd-cuda
pkgdesc = PMEMD module of AMBER software package (with CUDA support)
pkgver = 18
- pkgrel = 1
+ pkgrel = 2
url = http://ambermd.org/
arch = x86_64
license = custom
makedepends = make
- makedepends = gcc7
- makedepends = gcc7-fortran
+ makedepends = gcc8
+ makedepends = gcc8-fortran
makedepends = patch
makedepends = tcsh
makedepends = imake
- depends = openmpi3-gcc7
+ depends = openmpi3-gcc8
depends = cuda
depends = fakeroot
depends = zlib
depends = bzip2
- depends = gcc7-libs
+ depends = gcc8-libs
depends = flex
depends = python2
depends = bash
@@ -36,10 +36,10 @@ pkgbase = pmemd-cuda
md5sums = afffe8a5473a0bd143b98f0396f52f0f
md5sums = 6b38d9cfb6e33b719bdf7fe73b26e841
md5sums = 6015e304e72538d84e6d44f883ac39c2
- md5sums = c0e28736c9fe7ffd1cbed27ad3220e16
- md5sums = b1b881bd9e0f64a463c5e54138a679a6
- md5sums = c18bfebde8bd68bc6815e7e1ab17f154
- md5sums = c223fda763779c4f78fe3c634cfa3d50
+ md5sums = 37f2f7ac7741abebc7a5e350404f57f4
+ md5sums = 6e01a8326a5862a277b0f000e28e75bd
+ md5sums = 8ecf563204b32f4aff13f6fb70e4a2aa
+ md5sums = da952d59d07f305106f8e5dd13441e7a
pkgname = pmemd-cuda
diff --git a/PKGBUILD b/PKGBUILD
index 969c06644b20..5003acd375f2 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -3,24 +3,24 @@
pkgname=pmemd-cuda
pkgver=18
_toolsver=19
-_gccver=7.4.1
-pkgrel=1
+_gccver=8.3.0
+pkgrel=2
pkgdesc="PMEMD module of AMBER software package (with CUDA support)"
url="http://ambermd.org/"
license=('custom')
arch=('x86_64')
-depends=('openmpi3-gcc7' 'cuda' 'fakeroot' 'zlib' 'bzip2' 'gcc7-libs' 'flex' 'python2' 'bash')
-makedepends=('make' 'gcc7' 'gcc7-fortran' 'patch' 'tcsh' 'imake')
+depends=('openmpi3-gcc8' 'cuda' 'fakeroot' 'zlib' 'bzip2' 'gcc8-libs' 'flex' 'python2' 'bash')
+makedepends=('make' 'gcc8' 'gcc8-fortran' 'patch' 'tcsh' 'imake')
optdepends=('plumed-patches: PLUMED support'
'plumed: metadynamics support'
'plumed-mpi: metadynamics support with MPI')
md5sums=('afffe8a5473a0bd143b98f0396f52f0f'
'6b38d9cfb6e33b719bdf7fe73b26e841'
'6015e304e72538d84e6d44f883ac39c2'
- 'c0e28736c9fe7ffd1cbed27ad3220e16'
- 'b1b881bd9e0f64a463c5e54138a679a6'
- 'c18bfebde8bd68bc6815e7e1ab17f154'
- 'c223fda763779c4f78fe3c634cfa3d50')
+ '37f2f7ac7741abebc7a5e350404f57f4'
+ '6e01a8326a5862a277b0f000e28e75bd'
+ '8ecf563204b32f4aff13f6fb70e4a2aa'
+ 'da952d59d07f305106f8e5dd13441e7a')
options=(staticlibs !buildflags !makeflags)
# Due to licensing issues you must register and download AmberTools package from AmberMD url and put it in directory with PKGBUILD.
@@ -60,7 +60,7 @@ build() {
# pre-configure
cd ${srcdir}/amber${pkgver}
- LANG=en_US.UTF-8 CC=gcc-7 CXX=g++-7 FC=gfortran-7 ./configure --with-python /usr/bin/python2 --no-updates gnu
+ LANG=en_US.UTF-8 CC=gcc-8 CXX=g++-8 FC=gfortran-8 ./configure --with-python /usr/bin/python2 --no-updates gnu
# add support for PLUMED
if [ -e "/usr/bin/plumed-mpi-patch" -a -e "/usr/lib/plumed-mpi/patches/amber${pkgver}.diff" ]; then
@@ -87,13 +87,13 @@ build() {
# build serial CUDA version
cd ${srcdir}/amber${pkgver}
- LANG=en_US.UTF-8 CC=gcc-7 CXX=g++-7 FC=gfortran-7 ./configure --with-python /usr/bin/python2 --no-updates -cuda gnu
+ LANG=en_US.UTF-8 CC=gcc-8 CXX=g++-8 FC=gfortran-8 ./configure --with-python /usr/bin/python2 --no-updates -cuda gnu
cd src
make install
# build parallel CUDA version
cd ${srcdir}/amber${pkgver}
- LANG=en_US.UTF-8 CC=gcc-7 CXX=g++-7 FC=gfortran-7 ./configure --with-python /usr/bin/python2 --no-updates -cuda -mpi gnu
+ LANG=en_US.UTF-8 CC=gcc-8 CXX=g++-8 FC=gfortran-8 ./configure --with-python /usr/bin/python2 --no-updates -cuda -mpi gnu
cd src
make install
}
diff --git a/pmemd.cuda b/pmemd.cuda
index 8be9506f7e70..95e70442d184 100644
--- a/pmemd.cuda
+++ b/pmemd.cuda
@@ -1,6 +1,6 @@
#!/usr/bin/bash
-export _gccver=7.4.1
+export _gccver=8.3.0
export LD_LIBRARY_PATH="/usr/lib/gcc/x86_64-pc-linux-gnu/${_gccver}:$LD_LIBRARY_PATH"
/usr/lib/pmemd-cuda/bin/pmemd.cuda_SPFP "$@"
diff --git a/pmemd.cuda.MPI b/pmemd.cuda.MPI
index cdfafac9a680..c1e30d3197bc 100644
--- a/pmemd.cuda.MPI
+++ b/pmemd.cuda.MPI
@@ -1,6 +1,6 @@
#!/usr/bin/bash
-export _gccver=7.4.1
+export _gccver=8.3.0
export LD_LIBRARY_PATH="/usr/lib/gcc/x86_64-pc-linux-gnu/${_gccver}:$LD_LIBRARY_PATH"
/usr/lib/pmemd-cuda/bin/pmemd.cuda_SPFP.MPI "$@"
diff --git a/pmemd.cuda_DPFP b/pmemd.cuda_DPFP
index 351733affad4..6d311a43ceb3 100644
--- a/pmemd.cuda_DPFP
+++ b/pmemd.cuda_DPFP
@@ -1,6 +1,6 @@
#!/usr/bin/bash
-export _gccver=7.4.1
+export _gccver=8.3.0
export LD_LIBRARY_PATH="/usr/lib/gcc/x86_64-pc-linux-gnu/${_gccver}:$LD_LIBRARY_PATH"
/usr/lib/pmemd-cuda/bin/pmemd.cuda_DPFP "$@"
diff --git a/pmemd.cuda_DPFP.MPI b/pmemd.cuda_DPFP.MPI
index c0b19e29984a..b1a8c68fd73b 100644
--- a/pmemd.cuda_DPFP.MPI
+++ b/pmemd.cuda_DPFP.MPI
@@ -1,6 +1,6 @@
#!/usr/bin/bash
-export _gccver=7.4.1
+export _gccver=8.3.0
export LD_LIBRARY_PATH="/usr/lib/gcc/x86_64-pc-linux-gnu/${_gccver}:$LD_LIBRARY_PATH"
/usr/lib/pmemd-cuda/bin/pmemd.cuda_DPFP.MPI "$@"