#!/usr/bin/env modbuild # get mappings for our version numbers to the published tarfile names TARNAME=$(grep -E "^${V_MAJOR}.${V_MINOR}" files/version-to-tarname.txt| awk '{print $2}') # pbuild::set_download_url "https://gitlab.psi.ch/caubet_m/merlin-software/raw/master/$P/$P-${V_PKG}.tar.gz" pbuild::set_download_url "https://github.com/lammps/lammps/archive/${TARNAME}" pbuild::add_to_group 'MPI' pbuild::install_docfiles README LICENSE pbuild::compile_in_sourcetree # pbuild::pre_configure() { # pbuild::add_configure_args "-D CMAKE_BUILD_TYPE=RELEASE" # # pbuild::add_configure_args "-D BUILD_MPI=yes" # pbuild::add_configure_args "-D BUILD_OMP=yes" # pbuild::add_configure_args "-D PKG_USER-OMP=yes" # pbuild::add_configure_args "-D PKG_BODY=yes" # pbuild::add_configure_args "-D PKG_DIPOLE=yes" # pbuild::add_configure_args "-D PKG_MOLECULE=yes" # pbuild::add_configure_args "-D PKG_MPIIO=yes" # pbuild::add_configure_args "-D PKG_REPLICA=yes" # # pbuild::add_configure_args "-D PKG_REAX=yes" # pbuild::add_configure_args "-D PKG_RIGID=yes" # pbuild::add_configure_args "-D PKG_USER-REAXC=yes" # # } # pbuild::configure() { # cp -v "${BUILDBLOCK_DIR}/files/Makefile.PSI" "${BUILD_DIR}/src/MAKE/MINE" # } # pbuild::configure() { sed -i '/^CCFLAGS.*/ s/$/ -fopenmp/' ${BUILD_DIR}/src/MAKE/Makefile.mpi sed -i '/^LINKFLAGS.*/ s/$/ -fopenmp/' ${BUILD_DIR}/src/MAKE/Makefile.mpi } pbuild::compile() { echo BEGIN COMPILE cd src # make clean-all # make no-all make yes-user-omp make yes-asphere make yes-body make yes-compress make yes-coreshell make yes-dipole make yes-granular make yes-manybody make yes-kspace make yes-mc make yes-misc make yes-molecule make yes-mpiio make yes-opt make yes-python make yes-replica make yes-rigid make yes-snap make yes-user-eff make yes-user-drude make yes-user-reaxc make yes-user-reaxc args="-m serial" make yes-user-reaxc args="-m mpi" make mpi echo ENDCOMPILE } pbuild::install() { install -m 0755 -d "${PREFIX}/bin" # Modify this for installing individual binaries install -m 0755 "${BUILD_DIR}/src/lmp_mpi" "${PREFIX}/bin/" # Strip all present binaries for file in $(ls ${PREFIX}/bin/lmp_*) do strip "$file" done }