#!/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/${TARNAME}" pbuild::set_download_url "https://lammps.sandia.gov/tars/${TARNAME}" pbuild::add_to_group 'MPI' pbuild::install_docfiles README LICENSE 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 BUILD_TOOLS=yes" pbuild::add_configure_args "-D BUILD_DOC=yes" pbuild::add_configure_args "-D LAMMPS_MACHINE=mpi" pbuild::add_configure_args "-D PKG_USER-OMP=yes" pbuild::add_configure_args "-D PKG_ASPHERE=yes" pbuild::add_configure_args "-D PKG_BODY=yes" pbuild::add_configure_args "-D PKG_COMPRESS=yes" pbuild::add_configure_args "-D PKG_CORESHELL=yes" pbuild::add_configure_args "-D PKG_DIPOLE=yes" pbuild::add_configure_args "-D PKG_GRANULAR=yes" pbuild::add_configure_args "-D PKG_MANYBODY=yes" pbuild::add_configure_args "-D PKG_KSPACE=yes" pbuild::add_configure_args "-D PKG_MC=yes" pbuild::add_configure_args "-D PKG_MISC=yes" pbuild::add_configure_args "-D PKG_MOLECULE=yes" pbuild::add_configure_args "-D PKG_MPIIO=yes" pbuild::add_configure_args "-D PKG_OPT=yes" pbuild::add_configure_args "-D PKG_PYTHON=yes" pbuild::add_configure_args "-D PKG_REPLICA=yes" pbuild::add_configure_args "-D PKG_RIGID=yes" pbuild::add_configure_args "-D PKG_SNAP=yes" pbuild::add_configure_args "-D PKG_USER-EFF=yes" pbuild::add_configure_args "-D PKG_USER-DRUDE=yes" pbuild::add_configure_args "-D PKG_USER-REAXC=yes" # (( ${OPENMPI_VERSION%%.*} >= 4 )) && pbuild::add_configure_args "-D LAMMPS_OMP_COMPAT=4" } pbuild::configure() { cmake ${BUILD_DIR}/../src/cmake -D CMAKE_INSTALL_PREFIX="${PREFIX}" } pbuild::compile() { cmake --build ${BUILD_DIR} } pbuild::install() { make install }