diff options
| author | Hector Mtz-Seara | 2017-10-01 14:37:08 +0200 |
|---|---|---|
| committer | Hector Mtz-Seara | 2017-10-01 14:37:08 +0200 |
| commit | 30a526e08450f2c1cb6c811037c43bee6d61a3b9 (patch) | |
| tree | eb8c29fa79826bae49edeee6f6ad9ae5adf6074b /PKGBUILD | |
| parent | 1b0e30674ec467d1f7ca208346e6cfb6b4b93694 (diff) | |
| download | aur-30a526e08450f2c1cb6c811037c43bee6d61a3b9.tar.gz | |
Updated compilation flags to be gcc5 compatible
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 21 |
1 files changed, 12 insertions, 9 deletions
@@ -5,7 +5,7 @@ pkgname=gromacs-plumed pkgver=2016.3 _gromacsver=2016.3 _plumedver=2.3.2 -pkgrel=2 +pkgrel=3 pkgdesc='GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched)' url='http://www.gromacs.org/' license=("LGPL") @@ -23,11 +23,19 @@ sha1sums=('1ae1ea922b94c74f43ee066e3ea64bafa1c6c3b6') # also the compilation is possible in cuda capable machines export CC=gcc-5 export CXX=g++-5 + ###### CMAKE OPTIONS DISABLE BY DEFAULT ########### + # If you are using a haswell CPU, you will have # + # problems compiling with AVX2 support unless you # + # modify march=native in the /etc/makepkg.conf: # + # https://wiki.archlinux.org/index.php/Makepkg#Architecture.2C_compile_flagsAdd # + ################################################### +export CFLAGS="-march=native -O2 -pipe -fstack-protector-strong" +export CXXFLAGS="${CFLAGS}" export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #Gromacs will have the ability to read any #trajectory file format that can be read by - #VMD installation (e.g. AMBER's DCD format). + #VMD installation (e.g. AMBER's DCD format). prepare() { msg2 "Patching plumed for gromacs" cd ${srcdir}/gromacs-${pkgver} @@ -37,12 +45,6 @@ prepare() { build() { mkdir -p ${srcdir}/single - ###### CMAKE OPTIONS DISABLE BY DEFAULT ########### - # If you are using a haswell CPU, you will have # - # problems compiling with AVX2 support unless you # - # modify march=native in the /etc/makepkg.conf: # - # https://wiki.archlinux.org/index.php/Makepkg#Architecture.2C_compile_flagsAdd # - ################################################### msg2 "Building the gromacs with plumed support (single precision)" cd ${srcdir}/single @@ -50,6 +52,7 @@ build() { -DCMAKE_INSTALL_PREFIX=/usr/ \ -DBUILD_SHARED_LIBS=OFF \ -DGMX_BUILD_MDRUN_ONLY=ON + make } @@ -61,7 +64,7 @@ check () { package() { msg2 "Making the single precision executables" - cd ${srcdir}/single + cd ${srcdir}/single make DESTDIR=${pkgdir} install rm -rf ${pkgdir}/usr/share rm ${pkgdir}/usr/bin/gmx-completion-mdrun.bash |