diff options
-rw-r--r-- | .SRCINFO | 4 | ||||
-rw-r--r-- | PKGBUILD | 20 |
2 files changed, 20 insertions, 4 deletions
@@ -1,6 +1,6 @@ pkgbase = lammps-beta pkgdesc = Large-scale Atomic/Molecular Massively Parallel Simulator - pkgver = 20201224 + pkgver = 20210210 pkgrel = 1 url = https://lammps.sandia.gov/ arch = x86_64 @@ -10,7 +10,7 @@ pkgbase = lammps-beta depends = openmpi provides = lammps conflicts = lammps - source = git+https://github.com/lammps/lammps#tag=patch_24Dec2020?signed + source = git+https://github.com/lammps/lammps#tag=patch_10Feb2021?signed sha512sums = SKIP pkgname = lammps-beta @@ -12,6 +12,8 @@ _BUILD_DOC=0 _INSTALL_EXAMPLES=0 # Use Intel compilers _ENABLE_INTEL_COMPILER=0 +# Use AMD compilers +_ENABLE_AMD_COMPILER=0 # USER-INTEL package _ENABLE_INTEL=0 # USER-OMP package @@ -21,8 +23,8 @@ _ENABLE_KIM=0 _pkgname=lammps pkgname=${_pkgname}-beta -pkgver=20201224 -_pkgver="24Dec2020" +pkgver=20210210 +_pkgver="10Feb2021" #_pkgver=$(date -d ${pkgver} +%-d%b%Y) pkgrel=1 pkgdesc="Large-scale Atomic/Molecular Massively Parallel Simulator" @@ -67,6 +69,15 @@ if (( $_ENABLE_OMP )); then _feature_args+=('-DBUILD_OMP=yes') _feature_args+=('-DPKG_USER-OMP=yes') fi +#_feature_args+=('-DCMAKE_EXE_LINKER_FLAGS=-lamdlibm -Wl,-O1,--sort-common,--as-needed,-z,relro,-z,now') +#depends+=('aocl-aocc') +if (( $_ENABLE_AMD_COMPILER )); then + depends+=('aocc') + _feature_args+=('-DCMAKE_CXX_COMPILER=clang++') + _feature_args+=('-DCMAKE_CXX_FLAGS=-march=native -O3 -std=c++11') + _feature_args+=('-DMPI_C_COMPILER=mpicc') + _feature_args+=('-DMPI_CXX_COMPILER=mpicxx') +fi prepare(){ cd "${_pkgname}" @@ -74,6 +85,11 @@ prepare(){ } build() { + if (( $_ENABLE_AMD_COMPILER )) ; then + module load aocc + #module load aocl-aocc + fi + cd "${_pkgname}/build" cmake ../cmake \ -DCMAKE_INSTALL_PREFIX="/usr" \ |