Add option validation and remove extra variables in CMakeLists.txt

file(GLOB LMP_SOURCES ${LAMMPS_SOURCE_DIR}/main.cpp)

list(REMOVE_ITEM LIB_SOURCES ${LMP_SOURCES})

# Utility functions

function(list_to_bulletpoints result)

    list(REMOVE_AT ARGV 0)

    set(temp "")

    foreach(item ${ARGV})

        set(temp "${temp}* ${item}\n")

    endforeach()

    set(${result} "${temp}" PARENT_SCOPE)

endfunction(list_to_bulletpoints)

function(validate_option name values)

    string(TOLOWER ${${name}} needle_lower)

    string(TOUPPER ${${name}} needle_upper)

    list(FIND ${values} ${needle_lower} IDX_LOWER)

    list(FIND ${values} ${needle_upper} IDX_UPPER)

    if(${IDX_LOWER} LESS 0 AND ${IDX_UPPER} LESS 0)

        list_to_bulletpoints(POSSIBLE_VALUE_LIST ${${values}})

        message(FATAL_ERROR "\n########################################################################\n"

                            "Invalid value '${${name}}' for option '${name}'\n"

                            "\n"

                            "Possible values are:\n"

                            "${POSSIBLE_VALUE_LIST}"

                            "########################################################################")

    endif()

endfunction(validate_option)

# Cmake modules/macros are in a subdirectory to keep this file cleaner

set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/Modules)

  list(APPEND LAMMPS_LINK_LIBS mpi_stubs)

endif()

set(LAMMPS_SIZES "smallbig" CACHE STRING "LAMMPS size limit")

set_property(CACHE LAMMPS_SIZES PROPERTY STRINGS smallbig bigbig smallsmall)

string(TOUPPER ${LAMMPS_SIZES} LAMMPS_SIZES_DEFINE)

add_definitions(-DLAMMPS_${LAMMPS_SIZES_DEFINE})

set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES} -DLAMMPS_${LAMMPS_SIZES_DEFINE}")

set(LAMMPS_SIZES_VALUES smallbig bigbig smallsmall)

set_property(CACHE LAMMPS_SIZES PROPERTY STRINGS ${LAMMPS_SIZES_VALUES})

validate_option(LAMMPS_SIZES LAMMPS_SIZES_VALUES)

string(TOUPPER ${LAMMPS_SIZES} LAMMPS_SIZES)

add_definitions(-DLAMMPS_${LAMMPS_SIZES})

set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES} -DLAMMPS_${LAMMPS_SIZES}")

# posix_memalign is not available on Windows

if(NOT ${CMAKE_SYSTEM_NAME} STREQUAL "Windows")

  else()

    set(FFT "KISS" CACHE STRING "FFT library for KSPACE package")

  endif()

  set_property(CACHE FFT PROPERTY STRINGS KISS ${FFTW} MKL)

  set(FFT_VALUES KISS ${FFTW} MKL)

  set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES})

  validate_option(FFT FFT_VALUES)

  if(NOT FFT STREQUAL "KISS")

    find_package(${FFT} REQUIRED)

    if(NOT FFT STREQUAL "FFTW3F")

    add_definitions(-DFFT_KISS)

  endif()

  set(FFT_PACK "array" CACHE STRING "Optimization for FFT")

  set_property(CACHE FFT_PACK PROPERTY STRINGS array pointer memcpy)

  set(FFT_PACK_VALUES array pointer memcpy)

  set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES})

  validate_option(FFT_PACK FFT_PACK_VALUES)

  if(NOT FFT_PACK STREQUAL "array")

    string(TOUPPER ${FFT_PACK} FFT_PACK_DEFINE)

    add_definitions(-DFFT_PACK_${FFT_PACK_DEFINE})

    string(TOUPPER ${FFT_PACK} FFT_PACK)

    add_definitions(-DFFT_PACK_${FFT_PACK})

  endif()

endif()

    endif()

    set(INTEL_ARCH "cpu" CACHE STRING "Architectures used by USER-INTEL (cpu or knl)")

    set_property(CACHE INTEL_ARCH PROPERTY STRINGS cpu knl)

    set(INTEL_ARCH_VALUES cpu knl)

    set_property(CACHE INTEL_ARCH PROPERTY STRINGS ${INTEL_ARCH_VALUES})

    validate_option(INTEL_ARCH INTEL_ARCH_VALUES)

    if(INTEL_ARCH STREQUAL "knl")

      set(CMAKE_EXE_LINKER_FLAGS  "${CMAKE_EXE_LINKER_FLAGS} -xHost -qopenmp -qoffload")

                    ${GPU_SOURCES_DIR}/fix_gpu.cpp)

    set(GPU_API "opencl" CACHE STRING "API used by GPU package")

    set_property(CACHE GPU_API PROPERTY STRINGS opencl cuda)

    string(TOUPPER ${GPU_API} GPU_API_DEFINE)

    set(GPU_API_VALUES opencl cuda)

    set_property(CACHE GPU_API PROPERTY STRINGS ${GPU_API_VALUES})

    validate_option(GPU_API GPU_API_VALUES)

    string(TOUPPER ${GPU_API} GPU_API)

    set(GPU_PREC "mixed" CACHE STRING "LAMMPS GPU precision")

    set_property(CACHE GPU_PREC PROPERTY STRINGS double mixed single)

    string(TOUPPER ${GPU_PREC} GPU_PREC_DEFINE)

    set(GPU_PREC_VALUES double mixed single)

    set_property(CACHE GPU_PREC PROPERTY STRINGS ${GPU_PREC_VALUES})

    validate_option(GPU_PREC GPU_PREC_VALUES)

    string(TOUPPER ${GPU_PREC} GPU_PREC)

    if(GPU_PREC_DEFINE STREQUAL "DOUBLE")

    if(GPU_PREC STREQUAL "DOUBLE")

      set(GPU_PREC_SETTING "DOUBLE_DOUBLE")

    elseif(GPU_PREC_DEFINE STREQUAL "MIXED")

    elseif(GPU_PREC STREQUAL "MIXED")

      set(GPU_PREC_SETTING "SINGLE_DOUBLE")

    elseif(GPU_PREC_DEFINE STREQUAL "SINGLE")

    elseif(GPU_PREC STREQUAL "SINGLE")

      set(GPU_PREC_SETTING "SINGLE_SINGLE")

    endif()

    file(GLOB GPU_LIB_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/*.cpp)

    file(MAKE_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/gpu)

    if(GPU_API_DEFINE STREQUAL "CUDA")

    if(GPU_API STREQUAL "CUDA")

      find_package(CUDA REQUIRED)

      find_program(BIN2C bin2c)

      if(NOT BIN2C)

      target_include_directories(nvc_get_devices PRIVATE ${CUDA_INCLUDE_DIRS})

    elseif(GPU_API_DEFINE STREQUAL "OPENCL")

    elseif(GPU_API STREQUAL "OPENCL")

      find_package(OpenCL REQUIRED)

      set(OCL_TUNE "generic" CACHE STRING "OpenCL Device Tuning")

      set_property(CACHE OCL_TUNE PROPERTY STRINGS intel fermi kepler cypress generic)

      string(TOUPPER ${OCL_TUNE} OCL_TUNE_DEFINE)

      set(OCL_TUNE_VALUES intel fermi kepler cypress generic)

      set_property(CACHE OCL_TUNE PROPERTY STRINGS ${OCL_TUNE_VALUES})

      validate_option(OCL_TUNE OCL_TUNE_VALUES)

      string(TOUPPER ${OCL_TUNE} OCL_TUNE)

      include(OpenCLUtils)

      set(OCL_COMMON_HEADERS ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_preprocessor.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_aux_fun1.h)

      add_library(gpu STATIC ${GPU_LIB_SOURCES})

      target_link_libraries(gpu ${OpenCL_LIBRARIES})

      target_include_directories(gpu PRIVATE ${CMAKE_CURRENT_BINARY_DIR}/gpu ${OpenCL_INCLUDE_DIRS})

      target_compile_definitions(gpu PRIVATE -D_${GPU_PREC_SETTING} -D${OCL_TUNE_DEFINE}_OCL -DMPI_GERYON -DUCL_NO_EXIT)

      target_compile_definitions(gpu PRIVATE -D_${GPU_PREC_SETTING} -D${OCL_TUNE}_OCL -DMPI_GERYON -DUCL_NO_EXIT)

      target_compile_definitions(gpu PRIVATE -DUSE_OPENCL)

      list(APPEND LAMMPS_LINK_LIBS gpu)

endif()

if(PKG_GPU)

  message(STATUS "GPU Api: ${GPU_API}")

  if(GPU_API_DEFINE STREQUAL "CUDA")

  if(GPU_API STREQUAL "CUDA")

    message(STATUS "GPU Arch: ${GPU_ARCH}")

  elseif(GPU_API_DEFINE STREQUAL "OPENCL")

  elseif(GPU_API STREQUAL "OPENCL")

    message(STATUS "OCL Tune: ${OCL_TUNE}")

  endif()

  message(STATUS "GPU Precision: ${GPU_PREC}")