cmake_minimum_required(VERSION 3.10)
project(votca-xtp)
set(PROJECT_VERSION "1.6.2")
set(PROJECT_CONTACT "bugs@votca.org")
string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION "${PROJECT_VERSION}")
if (NOT ${SOVERSION} MATCHES "[1-9]+")
message(FATAL_ERROR "Could not determind SOVERSION from ${PROJECT_VERSION}")
endif (NOT ${SOVERSION} MATCHES "[1-9]+")
# Cmake modules/macros are in a subdirectory to keep this file cleaner
set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/CMakeModules)
if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
#Release comes with -O3 by default
set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo MinSizeRel." FORCE)
endif(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
if(CMAKE_BUILD_TYPE STREQUAL Debug)
add_definitions(-DDEBUG)
endif()
enable_language(CXX)
######################################################################
# compiler tests
# these need ot be done early (before further tests).
#####################################################################
include(CheckCXXCompilerFlag)
set(CMAKE_CXX_STANDARD 14)
set(CMAKE_CXX_STANDARD_REQUIRED ON)
set(CMAKE_CXX_EXTENSIONS OFF) #...without compiler extensions like gnu++11
find_package(OpenMP)
if (OPENMP_FOUND)
set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
endif()
########################################################################
# User input options #
########################################################################
find_package(LIBXC REQUIRED)
find_package(HDF5 1.8 REQUIRED COMPONENTS CXX)
if(HDF5_VERSION VERSION_GREATER 1.8)
message(WARNING "HDF5 will be used such that it is compatible with version 1.8.")
endif()
# https://github.com/votca/xtp/issues/436, hdf5-1.10.4 generates a implicitly-declared operator warning
if(HDF5_VERSION VERSION_GREATER_EQUAL 1.10.4 AND HDF5_VERSION VERSION_LESS_EQUAL 1.10.6)
include(CheckCXXCompilerFlag)
check_cxx_compiler_flag("-Wno-deprecated-copy" COMPILER_SUPPORTS_WNO_DEPRECATED_COPY)
if(COMPILER_SUPPORTS_WNO_DEPRECATED_COPY)
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wno-deprecated-copy")
endif()
endif()
option(BUILD_SHARED_LIBS "Build shared libs" ON)
include(GNUInstallDirs)
option(USE_CUDA "Use a Nvidia GPU to speed up computations" OFF)
option(ENABLE_TESTING "Build and enable testing stuff" OFF)
if(ENABLE_TESTING)
enable_testing()
endif(ENABLE_TESTING)
########################################################################
#Find external packages
########################################################################
if(IS_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/.git)
find_package(Git)
endif(IS_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/.git)
find_package(Boost 1.57.0 REQUIRED COMPONENTS program_options filesystem system timer)
find_package(Eigen3 3.3.0 REQUIRED NO_MODULE)
message(STATUS "Found Eigen3: ${Eigen3_DIR}")
option(BUILD_MANPAGES "Build manpages (might lead to problem on system without rpath" OFF)
#define this target here, so that individual man pages can append to it.
if(NOT TARGET manpages)
add_custom_target(manpages ALL)
endif()
find_package(VOTCA_TOOLS REQUIRED NO_MODULE)
if(DEFINED VOTCA_TOOLS_VERSION AND NOT VOTCA_TOOLS_VERSION STREQUAL PROJECT_VERSION)
message(FATAL_ERROR "Incompatible VOTCA Tools version found (needed ${PROJECT_VERSION}, found ${VOTCA_TOOLS_VERSION})")
endif()
message(STATUS "Found VOTCA_TOOLS: ${VOTCA_TOOLS_DIR}")
find_package(VOTCA_CSG REQUIRED NO_MODULE)
if(DEFINED VOTCA_CSG_VERSION AND NOT VOTCA_CSG_VERSION STREQUAL PROJECT_VERSION)
message(FATAL_ERROR "Incompatible VOTCA CSG version found (needed ${PROJECT_VERSION}, found ${VOTCA_CSG_VERSION})")
endif()
message(STATUS "Found VOTCA_CSG: ${VOTCA_CSG_DIR}")
if(USE_CUDA)
find_package(CUDA REQUIRED)
endif(USE_CUDA)
########################################################################
# Checks what linear algebra packages are installed #
########################################################################
########################################################################
# Basic system tests (standard libraries, headers, functions, types) #
########################################################################
include(CheckIncludeFile)
foreach(HEADER assert.h)
check_include_file(${HEADER} FOUND_${HEADER})
if(NOT FOUND_${HEADER})
message(FATAL_ERROR "Could not find needed header - ${HEADER}")
endif(NOT FOUND_${HEADER})
endforeach(HEADER)
include(CheckIncludeFileCXX)
foreach(HEADER algorithm)
check_include_file_cxx(${HEADER} FOUND_${HEADER})
if(NOT FOUND_${HEADER})
message(FATAL_ERROR "Could not find needed header - ${HEADER}")
endif(NOT FOUND_${HEADER})
endforeach(HEADER)
set(MATH_LIBRARIES "m" CACHE STRING "math library")
mark_as_advanced( MATH_LIBRARIES )
include(CheckLibraryExists)
foreach(FUNC sqrt)
check_library_exists(${MATH_LIBRARIES} ${FUNC} "" FOUND_${FUNC}_${MATH_LIBRARIES})
if(NOT FOUND_${FUNC}_${MATH_LIBRARIES})
message(FATAL_ERROR "Could not find needed math function - ${FUNC}")
endif(NOT FOUND_${FUNC}_${MATH_LIBRARIES})
endforeach(FUNC)
######################################
# Include the following subdirectory #
######################################
add_subdirectory(include/votca/xtp)
add_subdirectory(scripts)
add_subdirectory(src)
add_subdirectory(share)