diff options
author | Viktor Drobot | 2019-11-20 14:30:50 +0300 |
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committer | Viktor Drobot | 2019-11-20 14:30:50 +0300 |
commit | e388fcd85ee8c43bc56e3ced5dfb03e3b72cfa58 (patch) | |
tree | 9d9622c82c627f6236c8308d245302648b5c5fe1 | |
parent | 0ae8a92dbeacbcf4ce845e29e8ca1c531c5a3cf4 (diff) | |
download | aur-e388fcd85ee8c43bc56e3ced5dfb03e3b72cfa58.tar.gz |
Update for GCC 8
-rw-r--r-- | .SRCINFO | 18 | ||||
-rw-r--r-- | PKGBUILD | 22 | ||||
-rw-r--r-- | pmemd.cuda | 2 | ||||
-rw-r--r-- | pmemd.cuda.MPI | 2 | ||||
-rw-r--r-- | pmemd.cuda_DPFP | 2 | ||||
-rw-r--r-- | pmemd.cuda_DPFP.MPI | 2 |
6 files changed, 24 insertions, 24 deletions
@@ -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 @@ -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}:$LD_LIBRARY_PATH" /usr/lib/pmemd-cuda/bin/pmemd.cuda_DPFP.MPI "$@" |