# # Permission is hereby granted, free of charge, to any person obtaining # a copy of this software and associated documentation files (the # "Software"), to deal in the Software without restriction, including # without limitation the rights to use, copy, modify, merge, publish, # distribute, sublicense, and/or sell copies of the Software, and to # permit persons to whom the Software is furnished to do so, subject to # the following conditions: # # The above copyright notice and this permission notice shall be # included in all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, # EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF # MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND # NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE # LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION # OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION # WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. # # Required preamble # cmake_minimum_required(VERSION 3.10) list(APPEND CMAKE_PREFIX_PATH $ENV{KIM_API_CMAKE_PREFIX_DIR}) find_package(KIM-API-ITEMS 2.2 REQUIRED CONFIG) #if(NOT TARGET kim-api) # enable_testing() # project("${KIM_API_PROJECT_NAME}" VERSION "${KIM_API_VERSION}" # LANGUAGES CXX C Fortran) #endif() # End preamble kim_api_items_setup_before_project(ITEM_TYPE "modelDriver") project(QUIP__MD_915965102628_000 LANGUAGES CXX C Fortran) kim_api_items_setup_after_project(ITEM_TYPE "modelDriver") add_kim_api_model_driver_library( NAME ${PROJECT_NAME} CREATE_ROUTINE_NAME "create" CREATE_ROUTINE_LANGUAGE "fortran" ) target_sources(${PROJECT_NAME} PRIVATE QUIP_model_driver.F90 ) if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "GNU" AND ${CMAKE_C_COMPILER_ID} STREQUAL "GNU") set (CMAKE_COMPILER_STR gfortran) elseif (${CMAKE_Fortran_COMPILER_ID} STREQUAL "Intel" AND ${CMAKE_C_COMPILER_ID} STREQUAL "Intel") set (CMAKE_COMPILER_STR ifort_icc) else() message (FATAL_ERROR "CMAKE_Fortran_COMPILER_ID ${CMAKE_Fortran_COMPILER_ID} and CMAKE_C_COMPILER_ID ${CMAKE_C_COMPILER_ID} not supported, only pure GNU or Intel") endif() if (${CMAKE_SYSTEM_NAME} STREQUAL "Linux") set (CMAKE_QUIP_ARCH linux_x86_64_${CMAKE_COMPILER_STR}) elseif (${CMAKE_SYSTEM_NAME} STREQUAL "Darwin") set (CMAKE_QUIP_ARCH darwin_x86_64_${CMAKE_COMPILER_STR}) else() message (FATAL_ERROR "CMAKE_SYSTEM_NAME ${CMAKE_SYSTEM_NAME} not supported, only Linux and Darwin for now") endif() set(QUIP_COMP_FLAGS "CC=${CMAKE_C_COMPILER} CPLUSPLUS=${CMAKE_CXX_COMPILER} F77=${CMAKE_Fortran_COMPILER} F90=${CMAKE_Fortran_COMPILER} F95=${CMAKE_Fortran_COMPILER} LINKER=${CMAKE_Fortran_COMPILER} FPP=\"${CMAKE_Fortran_COMPILER} -E -x f95-cpp-input -P\"") include(ExternalProject) ExternalProject_Add(QUIP_project URL file://${CMAKE_CURRENT_SOURCE_DIR}/QUIP.tar.bz2 BUILD_IN_SOURCE 1 CONFIGURE_COMMAND bash -c "mkdir -p ./build/${CMAKE_QUIP_ARCH} && cp ${CMAKE_CURRENT_SOURCE_DIR}/Makefile.inc.openkim ./build/${CMAKE_QUIP_ARCH}/Makefile.inc && yes | sed 's/y//' | QUIP_ARCH=${CMAKE_QUIP_ARCH} make ${QUIP_COMP_FLAGS} config" BUILD_COMMAND bash -c "QUIP_ARCH=${CMAKE_QUIP_ARCH} make -j1 ${QUIP_COMP_FLAGS} PROGRAMS='' libquip.a" INSTALL_COMMAND "" ) add_library(quip STATIC IMPORTED) add_dependencies(quip QUIP_project) set_target_properties(quip PROPERTIES IMPORTED_LOCATION ${CMAKE_CURRENT_BINARY_DIR}/QUIP_project-prefix/src/QUIP_project/build/${CMAKE_QUIP_ARCH}/libquip.a) target_include_directories(${PROJECT_NAME} PUBLIC ${CMAKE_CURRENT_BINARY_DIR}/QUIP_project-prefix/src/QUIP_project/build/${CMAKE_QUIP_ARCH}) target_link_libraries(${PROJECT_NAME} PUBLIC quip) find_package(LAPACK REQUIRED) target_link_libraries(${PROJECT_NAME} PUBLIC ${LAPACK_LIBRARIES}) set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -std=gnu")