1 cmake_minimum_required(VERSION 3.16.3)
3 project(gromacs-dssp CXX)
5 set(CMAKE_CXX_STANDARD 17) # new
6 set(CMAKE_CXX_STANDARD_REQUIRED ON) # new
7 set(CMAKE_CXX_EXTENSIONS OFF) # new
9 if (NOT CMAKE_BUILD_TYPE)
10 set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: Debug Release RelWithDebInfo MinSizeRel." FORCE)
13 # CMake modules are in a subdirectory to keep this file cleaner
14 list(APPEND CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake)
16 #set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib) # disabled
17 #set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib) # disabled
18 #set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin) # disabled
20 # In principle, this could be deduced from GROMACS_IS_DOUBLE returned by
21 # find_package(GROMACS) based on the suffix alone, but it is clearer that the
22 # user explicitly sets what they want to get, and then need to provide a suffix
24 option(GMX_DOUBLE "Use double precision" OFF)
25 set(GMX_SUFFIX "" CACHE STRING "Suffix for the GROMACS installation to use (empty for default)")
27 # This does not allow for a non-suffixed double-precision libgromacs, but
28 # that should be rare enough for demonstration purposes.
29 if (GMX_DOUBLE AND NOT GMX_SUFFIX)
30 set(GROMACS_SUFFIX "_d")
32 set(GROMACS_SUFFIX ${GMX_SUFFIX})
35 find_package(GROMACS 2020 REQUIRED)
36 gromacs_check_double(GMX_DOUBLE)
37 gromacs_check_compiler(CXX)
38 include_directories(${GROMACS_INCLUDE_DIRS}) # new
39 add_definitions(${GROMACS_DEFINITIONS})
41 # Use static linking on MSVC
42 if (CMAKE_GENERATOR MATCHES "Visual Studio")
43 string(REPLACE /MD /MT CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE})
44 set(CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE} CACHE STRING "" FORCE)
45 string(REPLACE /MD /MT CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG})
46 set(CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG} CACHE STRING "" FORCE)
51 #add_executable(dssp dssp.cpp)
52 #set_target_properties(dssp PROPERTIES
53 #COMPILE_FLAGS "${GROMACS_CXX_FLAGS}")
54 #target_link_libraries(dssp ${GROMACS_LIBRARIES})