#!/usr/bin/env modbuild pbuild::pre_configure() { pbuild::add_configure_args "-DQE_ENABLE_OPENMP=ON" pbuild::add_configure_args "-DQE_ENABLE_MPI=ON" # Recommended by the Quantum Espresso Developers pbuild::add_configure_args "-DCMAKE_C_COMPILER=mpicc" pbuild::add_configure_args "-DCMAKE_Fortran_COMPILER=mpif90" pbuild::add_configure_args "-DCMAKE_SYSTEM_PROCESSOR=x86_64" case "${COMPILER}" in nvhpc ) pbuild::add_configure_args "-DQE_ENABLE_CUDA=ON" pbuild::add_configure_args "-DQE_ENABLE_MPI_GPU_AWARE=ON" pbuild::add_configure_args "-DQE_ENABLE_OPENACC=ON" pbuild::add_configure_args "-DNVFORTRAN_CUDA_VERSION=12.1" pbuild::add_configure_args "-DNVFORTRAN_CUDA_CC=60" ;; esac }