1 cmake_minimum_required(VERSION 2.8)
2 # Keep CMake suitably quiet on Cygwin
3 set(CMAKE_LEGACY_CYGWIN_WIN32 0) # Remove when CMake >= 2.8.4 is required
5 # override bugs on OS X where Cmake picks gcc (GNU) for C instead of system default cc (Clang).
7 set(CMAKE_C_COMPILER_INIT "cc")
12 mark_as_advanced(DART_ROOT)
14 # PROJECT_VERSION should have the following structure:
15 # VERSION-dev[-SUFFIX] where the VERSION should have the for: vMajor.vMinor.vPatch
17 # The "-dev" suffix is important to keep because it makes possible to distinguish
18 # between a build from official release and a build from git release branch on a
19 # machine with no git.
21 # NOTE: when releasing the "-dev" suffix needs to be stripped off!
22 set(PROJECT_VERSION "4.6-dev")
23 set(CUSTOM_VERSION_STRING ""
24 CACHE STRING "Custom version string (if empty, use hard-coded default)")
25 mark_as_advanced(CUSTOM_VERSION_STRING)
26 if (CUSTOM_VERSION_STRING)
27 set(PROJECT_VERSION ${CUSTOM_VERSION_STRING})
28 endif (CUSTOM_VERSION_STRING)
30 # It is a bit irritating, but this has to be set separately for now!
31 SET(CPACK_PACKAGE_VERSION_MAJOR "4")
32 SET(CPACK_PACKAGE_VERSION_MINOR "6")
33 #SET(CPACK_PACKAGE_VERSION_PATCH "0")
36 # Cmake modules/macros are in a subdirectory to keep this file cleaner
37 set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake)
39 if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
40 set(CMAKE_INSTALL_PREFIX "/usr/local/gromacs" CACHE STRING "Installation prefix (installation will need write permissions here)" FORCE)
43 if(NOT CMAKE_BUILD_TYPE)
44 set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: Debug Release RelWithDebInfo MinSizeRel." FORCE)
45 endif(NOT CMAKE_BUILD_TYPE)
49 set(CPACK_PACKAGE_VERSION ${PROJECT_VERSION})
50 set(CPACK_PACKAGE_VENDOR "gromacs.org")
51 set(CPACK_PACKAGE_DESCRIPTION_SUMMARY "Gromacs - a toolkit for high-performance molecular simulation")
52 set(CPACK_SET_DESTDIR "ON")
53 set(CPACK_INCLUDE_TOPLEVEL_DIRECTORY 0)
54 set(CPACK_RESOURCE_FILE_WELCOME "${CMAKE_SOURCE_DIR}/admin/InstallWelcome.txt")
55 # Its GPL/LGPL, so they do not have to agree to a license for mere usage, but some installers require this...
56 set(CPACK_RESOURCE_FILE_LICENSE "${CMAKE_SOURCE_DIR}/admin/InstallLicense.txt")
57 set(CPACK_RESOURCE_FILE_README "${CMAKE_SOURCE_DIR}/admin/InstallInfo.txt")
59 #must come after all cpack settings!
62 ########################################################################
63 # Check and warn if cache generated on a different host is being reused
64 ########################################################################
66 execute_process(COMMAND hostname
67 OUTPUT_VARIABLE TMP_HOSTNAME
68 OUTPUT_STRIP_TRAILING_WHITESPACE)
69 if(GMX_BUILD_HOSTNAME AND NOT "${GMX_BUILD_HOSTNAME}" STREQUAL "${TMP_HOSTNAME}")
71 The CMake cache, probably generated on a different host (${GMX_BUILD_HOSTNAME}),
72 is being reused! This could lead to inconsitencies; therefore, it is
73 recommended to regenerate the cache!")
75 set(GMX_BUILD_HOSTNAME "${TMP_HOSTNAME}" CACHE INTERNAL
76 "Hostname of the machine where the cache was generated.")
79 ########################################################################
80 # Fix stupid flags on Windows
81 ########################################################################
82 SET(SHARED_LIBS_DEFAULT ON)
83 IF( WIN32 AND NOT CYGWIN)
84 option(GMX_PREFER_STATIC_LIBS "When finding libraries prefer static system libraries (MT instead of MD)!" ON)
85 mark_as_advanced(GMX_PREFER_STATIC_LIBS)
86 SET(SHARED_LIBS_DEFAULT OFF) #is currently not working on Windows
88 IF (GMX_PREFER_STATIC_LIBS)
89 #Only setting Debug and Release flags. Others configurations current not used.
90 STRING(REPLACE /MD /MT CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE})
91 SET(CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE} CACHE STRING "" FORCE)
92 STRING(REPLACE /MD /MT CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG})
93 SET(CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG} CACHE STRING "" FORCE)
94 STRING(REPLACE /MD /MT CMAKE_CXX_FLAGS_RELEASE ${CMAKE_CXX_FLAGS_RELEASE})
95 SET(CMAKE_CXX_FLAGS_RELEASE ${CMAKE_CXX_FLAGS_RELEASE} CACHE STRING "" FORCE)
96 STRING(REPLACE /MD /MT CMAKE_CXX_FLAGS_DEBUG ${CMAKE_CXX_FLAGS_DEBUG})
97 SET(CMAKE_CXX_FLAGS_DEBUG ${CMAKE_CXX_FLAGS_DEBUG} CACHE STRING "" FORCE)
100 #Workaround for cmake bug 13174. Replace deprecated options.
101 IF( CMAKE_C_COMPILER_ID MATCHES "Intel" )
102 STRING(REPLACE /GZ /RTC1 CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG})
103 SET(CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG} CACHE STRING "" FORCE)
105 IF( CMAKE_CXX_COMPILER_ID MATCHES "Intel" )
106 STRING(REPLACE /GZ /RTC1 CMAKE_CXX_FLAGS_DEBUG ${CMAKE_CXX_FLAGS_DEBUG})
107 STRING(REPLACE /GX /EHsc CMAKE_CXX_FLAGS_DEBUG ${CMAKE_CXX_FLAGS_DEBUG})
108 SET(CMAKE_CXX_FLAGS_DEBUG ${CMAKE_CXX_FLAGS_DEBUG} CACHE STRING "" FORCE)
110 STRING(REPLACE /GX /EHsc CMAKE_CXX_FLAGS_RELEASE ${CMAKE_CXX_FLAGS_RELEASE})
111 SET(CMAKE_CXX_FLAGS_RELEASE ${CMAKE_CXX_FLAGS_RELEASE} CACHE STRING "" FORCE)
115 ########################################################################
116 # User input options #
117 ########################################################################
118 option(GMX_DOUBLE "Use double precision (much slower, use only if you really need it)" OFF)
119 option(GMX_MPI "Build a parallel (message-passing) version of GROMACS" OFF)
120 option(GMX_THREAD_MPI "Build a thread-MPI-based multithreaded version of GROMACS (not compatible with MPI)" ON)
121 option(GMX_SOFTWARE_INVSQRT "Use GROMACS software 1/sqrt" ON)
122 mark_as_advanced(GMX_SOFTWARE_INVSQRT)
123 option(GMX_POWERPC_INVSQRT "Use PowerPC hardware 1/sqrt" OFF)
124 mark_as_advanced(GMX_POWERPC_INVSQRT)
125 option(GMX_FAHCORE "Build a library with mdrun functionality" OFF)
126 mark_as_advanced(GMX_FAHCORE)
127 option(GMX_OPENMM "Accelerated execution on GPUs through the OpenMM library (rerun cmake after changing to see relevant options)" OFF)
129 include(gmxDetectAcceleration)
130 if(NOT DEFINED GMX_ACCELERATION)
131 if(CMAKE_CROSSCOMPILING)
132 set(GMX_SUGGESTED_ACCELERATION "None")
133 else(CMAKE_CROSSCOMPILING)
134 gmx_detect_acceleration(GMX_SUGGESTED_ACCELERATION)
135 endif(CMAKE_CROSSCOMPILING)
136 endif(NOT DEFINED GMX_ACCELERATION)
138 set(GMX_ACCELERATION "@GMX_SUGGESTED_ACCELERATION@"
139 CACHE STRING "Accelerated kernels. Pick one of: None, SSE2, SSE4.1, AVX_128_FMA, AVX_256, BlueGene, Power6, Fortran")
141 set(GMX_FFT_LIBRARY "fftw3"
142 CACHE STRING "FFT library choices: fftw3,mkl,fftpack[built-in]")
143 option(GMX_DISABLE_FFTW_MEASURE
144 "Do not optimize FFTW setups (not needed with SSE)" OFF)
145 mark_as_advanced(GMX_DISABLE_FFTW_MEASURE)
146 set(GMX_QMMM_PROGRAM "none"
147 CACHE STRING "QM package choices: none,gaussian,mopac,gamess,orca")
148 option(GMX_BROKEN_CALLOC "Work around broken calloc()" OFF)
149 mark_as_advanced(GMX_BROKEN_CALLOC)
150 option(BUILD_SHARED_LIBS "Enable shared libraries (can be problematic with MPI, Windows)" ${SHARED_LIBS_DEFAULT})
151 option(GMX_MPI_IN_PLACE "Enable MPI_IN_PLACE for MPIs that have it defined" ON)
152 mark_as_advanced(GMX_MPI_IN_PLACE)
153 option(GMX_LOAD_PLUGINS "Compile with plugin support, needed to read VMD supported file formats" ON)
154 mark_as_advanced(GMX_LOAD_PLUGINS)
156 option(GMX_OPENMP "Enable OpenMP-based mutithreading. " ON)
158 option(USE_VERSION_H "Generate development version string/information" ON)
159 mark_as_advanced(USE_VERSION_H)
161 option(GMX_DEFAULT_SUFFIX "Use default suffixes for GROMACS binaries and libs (_d for double, _mpi for MPI; rerun cmake after changing to see relevant options)" ON)
163 if(UNIX AND NOT APPLE)
164 option(GMX_PREFER_STATIC_LIBS "When finding libraries prefer \".a\" static archives (NOTE: this is enabled only for UNIX (excluding APPLE) platforms but it might not always work!" OFF)
165 mark_as_advanced(GMX_PREFER_STATIC_LIBS)
169 ######################################################################
171 # these need ot be done early (before further tests).
172 #####################################################################
174 # cmake/Check{C,CXX}CompilerFlag.cmake are lifted from CMake git next
175 # branch (proposed for v2.8.9) to be able to detect invalid options
176 # with the Intel Compilers.
177 # Remove these files from the source tree when a CMake version that
178 # includes the features in question becomes required.
179 include(CheckCCompilerFlag)
180 include(CheckCXXCompilerFlag)
182 # OpenMP check must come before other CFLAGS!
186 set(GROMACS_C_FLAGS "${OpenMP_C_FLAGS} ${GROMACS_C_FLAGS}")
187 set(GROMACS_CXX_FLAGS "${OpenMP_CXX_FLAGS} ${GROMACS_CXX_FLAGS}")
190 "Compiler not supporting OpenMP. This might hurt your performance a lot, "
191 "in particular with GPUs. Try using a different compiler (Intel is good on x86) "
192 "if you can - for now we are proceeding by turning off OpenMP.")
193 set(GMX_OPENMP OFF CACHE STRING "Compiler does not support OpenMP." FORCE)
201 ########################################################################
202 # Set up binary and library suffixing
203 ########################################################################
204 set(GMX_BINARY_SUFFIX "" CACHE STRING "Suffix for GROMACS binaries (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
205 set(GMX_LIBS_SUFFIX ""
206 CACHE STRING "Suffix for GROMACS libs (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
207 if (GMX_DEFAULT_SUFFIX)
208 set(GMX_BINARY_SUFFIX "")
209 set(GMX_LIBS_SUFFIX "")
211 set(GMX_BINARY_SUFFIX "_mpi")
212 set(GMX_LIBS_SUFFIX "_mpi")
215 set (GMX_BINARY_SUFFIX "${GMX_BINARY_SUFFIX}_d")
216 set (GMX_LIBS_SUFFIX "${GMX_LIBS_SUFFIX}_d")
219 set (GMX_BINARY_SUFFIX "-openmm")
220 set (GMX_LIBS_SUFFIX "_openmm")
222 mark_as_advanced(FORCE GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
223 if (NOT SUFFIX_QUIETLY)
224 message(STATUS "Using default binary suffix: \"${GMX_BINARY_SUFFIX}\"")
225 message(STATUS "Using default library suffix: \"${GMX_LIBS_SUFFIX}\"")
226 endif (NOT SUFFIX_QUIETLY)
227 else(GMX_DEFAULT_SUFFIX)
228 mark_as_advanced(CLEAR GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
229 if (NOT SUFFIX_QUIETLY)
230 message(STATUS "Using manually set binary suffix: \"${GMX_BINARY_SUFFIX}\"")
231 message(STATUS "Using manually set library suffix: \"${GMX_LIBS_SUFFIX}\"")
232 endif (NOT SUFFIX_QUIETLY)
233 endif(GMX_DEFAULT_SUFFIX)
234 set(SUFFIX_QUIETLY TRUE CACHE INTERNAL "")
238 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_DOUBLE")
240 if(GMX_SOFTWARE_INVSQRT)
241 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_SOFTWARE_INVSQRT")
242 endif(GMX_SOFTWARE_INVSQRT)
243 if(GMX_POWERPC_INVSQRT)
244 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_POWERPC_INVSQRT")
245 endif(GMX_POWERPC_INVSQRT)
247 ########################################################################
248 #Process MPI settings
249 ########################################################################
250 include(gmxManageMPI)
252 #######################################################################
253 # Check for options incompatible with OpenMM build #
254 #######################################################################
256 # we'll use the built-in fft to avoid unnecessary dependencies
257 string(TOUPPER ${GMX_FFT_LIBRARY} GMX_FFT_LIBRARY)
258 if(NOT ${GMX_FFT_LIBRARY} STREQUAL "FFTPACK")
259 message(STATUS "No external FFT libraries needed for the OpenMM build, switching to fftpack!")
260 set(GMX_FFT_LIBRARY "fftpack" CACHE STRING
261 "No external FFT libraries needed for the OpenMM build, switching to fftpack!" FORCE)
264 message(FATAL_ERROR "The OpenMM build is not compatible with MPI!")
267 message(STATUS "Thread-MPI not compatible with OpenMM, disabled!")
268 set(GMX_THREAD_MPI OFF CACHE BOOL
269 "Thread-MPI not compatible with OpenMM build, disabled!" FORCE)
270 endif(GMX_THREAD_MPI)
272 message(STATUS "OpenMP multithreading not compatible with OpenMM, disabled")
273 set(GMX_OPENMP OFF CACHE BOOL
274 "OpenMP multithreading not compatible with OpenMM, disabled!" FORCE)
276 if(GMX_SOFTWARE_INVSQRT)
277 set(GMX_SOFTWARE_INVSQRT OFF CACHE STRING
278 "The OpenMM build does not need GROMACS software 1/sqrt!" FORCE)
279 endif(GMX_SOFTWARE_INVSQRT)
280 string(TOUPPER ${GMX_ACCELERATION} GMX_ACCELERATION)
281 if(NOT GMX_ACCELERATION STREQUAL "NONE")
282 message(STATUS "Switching off CPU-based acceleration, the OpenMM build does not support/need any!")
283 set(GMX_ACCELERATION "none" CACHE STRING
284 "Switching off CPU-based acceleration, the OpenMM build does not support/need any!" FORCE)
287 message(FATAL_ERROR "The OpenMM build does not support FAH build!")
290 message(FATAL_ERROR "The OpenMM-build does not support double precision calculations!")
292 # mark as advanced the unused variables
293 mark_as_advanced(FORCE GMX_ACCELERATION GMX_MPI GMX_FFT_LIBRARY
294 GMX_QMMM_PROGRAM GMX_THREAD_MPI GMX_DOUBLE)
296 mark_as_advanced(CLEAR GMX_ACCELERATION GMX_MPI GMX_FFT_LIBRARY
297 GMX_QMMM_PROGRAM GMX_THREAD_MPI GMX_DOUBLE)
303 ########################################################################
304 # Basic system tests (standard libraries, headers, functions, types) #
305 ########################################################################
306 include(CheckIncludeFiles)
307 check_include_files(string.h HAVE_STRING_H)
308 check_include_files(math.h HAVE_MATH_H)
309 check_include_files(limits.h HAVE_LIMITS_H)
310 check_include_files(memory.h HAVE_MEMORY_H)
311 check_include_files(unistd.h HAVE_UNISTD_H)
312 check_include_files(direct.h HAVE_DIRECT_H)
313 check_include_files(pwd.h HAVE_PWD_H)
314 check_include_files(stdint.h HAVE_STDINT_H)
315 check_include_files(stdlib.h HAVE_STDLIB_H)
316 check_include_files(pthread.h HAVE_PTHREAD_H)
317 check_include_files(dirent.h HAVE_DIRENT_H)
318 check_include_files(inttypes.h HAVE_INTTYPES_H)
319 check_include_files(regex.h HAVE_REGEX_H)
320 check_include_files(sys/types.h HAVE_SYS_TYPES_H)
321 check_include_files(sys/stat.h HAVE_SYS_STAT_H)
322 check_include_files(sys/time.h HAVE_SYS_TIME_H)
323 check_include_files(rpc/rpc.h HAVE_RPC_RPC_H)
324 check_include_files("rpc/rpc.h;rpc/xdr.h" HAVE_RPC_XDR_H)
325 check_include_files(io.h HAVE_IO_H)
328 include(CheckFunctionExists)
329 check_function_exists(strcasecmp HAVE_STRCASECMP)
330 check_function_exists(strdup HAVE_STRDUP)
331 check_function_exists(vprintf HAVE_VPRINTF)
332 check_function_exists(memcmp HAVE_MEMCMP)
333 check_function_exists(posix_memalign HAVE_POSIX_MEMALIGN)
334 check_function_exists(memalign HAVE_MEMALIGN)
335 check_function_exists(_aligned_malloc HAVE__ALIGNED_MALLOC)
336 check_function_exists(gettimeofday HAVE_GETTIMEOFDAY)
337 check_function_exists(isnan HAVE_ISNAN)
338 check_function_exists(_isnan HAVE__ISNAN)
339 check_function_exists(fsync HAVE_FSYNC)
340 check_function_exists(_fileno HAVE__FILENO)
341 check_function_exists(fileno HAVE_FILENO)
342 check_function_exists(_commit HAVE__COMMIT)
343 check_function_exists(lstat HAVE_LSTAT)
344 check_function_exists(sigaction HAVE_SIGACTION)
346 include(CheckLibraryExists)
347 check_library_exists(m sqrt "" HAVE_LIBM)
348 check_library_exists(m cbrt "" HAVE_CBRT)
351 include(CheckTypeSize)
353 check_type_size("bool" SIZEOF_BOOL) # will also set HAVE_BOOL
354 check_type_size("int" SIZEOF_INT)
355 check_type_size("long int" SIZEOF_LONG_INT)
356 check_type_size("long long int" SIZEOF_LONG_LONG_INT)
357 check_type_size("off_t" SIZEOF_OFF_T)
358 check_type_size("void *" SIZEOF_VOIDP)
360 if (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
362 else (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
363 set(GMX_64_BIT FALSE)
364 endif (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
366 # Check for some basic types that we *need*, so set these to int if they are not present
367 check_type_size(uid_t uid_t)
374 check_type_size(gid_t gid_t)
381 check_type_size(size_t size_t)
388 check_type_size(off_t off_t)
395 include(TestBigEndian)
396 test_big_endian(GMX_INTEGER_BIG_ENDIAN)
401 ########################################################################
402 # Find external packages #
403 ########################################################################
404 if(UNIX AND NOT APPLE)
405 if(GMX_PREFER_STATIC_LIBS)
406 SET(CMAKE_FIND_LIBRARY_SUFFIXES .a ${CMAKE_FIND_LIBRARY_SUFFIXES})
407 if(BUILD_SHARED_LIBS)
408 message(WARNING "Static libraries requested, the GROMACS libraries will also be build static (BUILD_SHARED_LIBS=OFF)")
409 set(BUILD_SHARED_LIBS OFF CACHE BOOL "Enable shared libraries (can be problematic with MPI, Windows)" FORCE)
414 option(GMX_XML "Use libxml2 to parse xml files" ON)
416 find_package(LibXml2)
419 include_directories(${LIBXML2_INCLUDE_DIR})
420 set(PKG_XML libxml-2.0)
421 set(XML_LIBRARIES ${LIBXML2_LIBRARIES})
426 option(GMX_GSL "Add support for gsl" OFF)
431 include_directories(${GSL_INCLUDE_DIR})
437 option(GMX_X11 "Use X window system" OFF)
440 # X11 includes/libraries are only set in the ngmx subdirectory!
447 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_THREAD_MPI")
449 set(THREAD_MPI_LIB thread_mpi)
451 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
452 endif(GMX_THREAD_MPI)
455 set(CUDA_BUILD_EMULATION OFF)
456 find_package(CUDA 3.1 REQUIRED)
457 add_definitions(-DGMX_OPENMM)
458 if(CMAKE_BUILD_TYPE STREQUAL "DEBUG")
459 set(CUDA_VERBOSE_BUILD ON)
466 find_library(ACCELERATE_FRAMEWORK Accelerate)
467 list(APPEND GMX_EXTRA_LIBRARIES ${ACCELERATE_FRAMEWORK})
474 if(WIN32 AND NOT CYGWIN)
475 set(GMX_NATIVE_WINDOWS 1)
478 # only bother with finding git and using version.h if the source is a git repo
479 if(EXISTS "${CMAKE_SOURCE_DIR}/.git")
481 # We need at least git v1.5.3 be able to parse git's date output. If not
482 # found or the version is too small, we can't generate version information.
485 # Find out the git version
486 if(GIT_FOUND AND NOT GIT_VERSION)
487 execute_process(COMMAND ${GIT_EXECUTABLE} "--version"
488 OUTPUT_VARIABLE _exec_out
489 OUTPUT_STRIP_TRAILING_WHITESPACE)
490 string(REGEX REPLACE "git version (.*)" "\\1" GIT_VERSION ${_exec_out})
491 set(GIT_VERSION ${GIT_VERSION} CACHE STRING "Git version")
492 mark_as_advanced(GIT_VERSION)
495 if(NOT GIT_FOUND OR GIT_VERSION VERSION_LESS "1.5.3")
496 message("No compatible git version found, won't be able to generate proper development version information.")
497 set(USE_VERSION_H OFF)
501 set(USE_VERSION_H OFF)
504 ########################################################################
505 # Generate development version info for cache
506 ########################################################################
507 # set(GEN_VERSION_INFO_INTERNAL "ON")
508 # include(gmxGenerateVersionString)
510 ########################################################################
511 # Our own GROMACS tests
512 ########################################################################
514 add_definitions( -DHAVE_CONFIG_H )
515 include_directories(${CMAKE_BINARY_DIR}/src)
516 include_directories(${CMAKE_BINARY_DIR}/include)
517 include_directories(${CMAKE_SOURCE_DIR}/include)
519 include(gmxTestInlineASM)
520 gmx_test_inline_asm_gcc_x86(GMX_X86_GCC_INLINE_ASM)
522 include(gmxSetBuildInformation)
523 gmx_set_build_information()
524 if(BUILD_CPU_FEATURES MATCHES "rdtscp")
525 # The timestep counter headers do not include config.h
526 add_definitions(-DHAVE_RDTSCP)
527 endif(BUILD_CPU_FEATURES MATCHES "rdtscp")
529 include(gmxTestFloatFormat)
530 gmx_test_float_format(GMX_FLOAT_FORMAT_IEEE754
531 GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
532 GMX_IEEE754_BIG_ENDIAN_WORD_ORDER)
534 include(gmxTestLargeFiles)
535 gmx_test_large_files(GMX_LARGEFILES)
536 check_function_exists(fseeko HAVE_FSEEKO)
538 include(gmxTestSignal)
539 gmx_test_sigusr1(HAVE_SIGUSR1)
541 include(gmxTestInline)
542 gmx_test_inline(INLINE_KEYWORD)
544 include(gmxTestRestrict)
545 gmx_test_inline(RESTRICT_KEYWORD)
547 include(gmxTestPipes)
548 gmx_test_pipes(HAVE_PIPES)
550 include(gmxTestIsfinite)
551 gmx_test_isfinite(HAVE_ISFINITE)
552 gmx_test__isfinite(HAVE__ISFINITE)
553 gmx_test__finite(HAVE__FINITE)
556 gmx_test_xdr(GMX_SYSTEM_XDR)
557 if(NOT GMX_SYSTEM_XDR)
558 set(GMX_INTERNAL_XDR 1)
559 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_INTERNAL_XDR")
560 endif(NOT GMX_SYSTEM_XDR)
562 # Process nonbonded accelerated kernels settings
563 string(TOUPPER ${GMX_ACCELERATION} ${GMX_ACCELERATION})
564 if(${GMX_ACCELERATION} STREQUAL "NONE")
566 elseif(${GMX_ACCELERATION} STREQUAL "SSE2")
568 GMX_TEST_CFLAG(GNU_SSE2_CFLAG "-msse2" GROMACS_C_FLAGS)
569 if(NOT GNU_SSE2_CFLAG)
570 GMX_TEST_CFLAG(MSVC_SSE2_CFLAG "/arch:SSE2" GROMACS_C_FLAGS)
571 endif(NOT GNU_SSE2_CFLAG)
573 GMX_TEST_CXXFLAG(GNU_SSE2_CXXFLAG "-msse2" GROMACS_CXX_FLAGS)
574 if(NOT GNU_SSE2_CXXFLAG)
575 GMX_TEST_CXXFLAG(MSVC_SSE2_CXXFLAG "/arch:SSE2" GROMACS_CXX_FLAGS)
576 endif(NOT GNU_SSE2_CXXFLAG)
578 # We dont warn for lacking SSE2 flag support, since that is probably standard today.
580 # Only test the include after we have tried to add the correct flag for SSE2 support
581 check_include_file(emmintrin.h HAVE_EMMINTRIN_H ${GROMACS_C_FLAGS})
583 if(NOT HAVE_EMMINTRIN_H)
584 message(FATAL_ERROR "Cannot find emmintrin.h, which is required for SSE2 intrinsics support.")
585 endif(NOT HAVE_EMMINTRIN_H)
587 # The user should not be able to set this orthogonally to the acceleration
590 message(STATUS "Enabling SSE2 Gromacs acceleration, and it will help compiler optimization.")
592 elseif(${GMX_ACCELERATION} STREQUAL "SSE4.1")
594 GMX_TEST_CFLAG(GNU_SSE4_CFLAG "-msse4.1" GROMACS_C_FLAGS)
595 if (NOT GNU_SSE4_CFLAG)
596 GMX_TEST_CFLAG(MSVC_SSE4_CFLAG "/arch:SSE4.1" GROMACS_C_FLAGS)
597 endif(NOT GNU_SSE4_CFLAG)
598 if (NOT GNU_SSE4_CFLAG AND NOT MSVC_SSE4_CFLAG)
599 message(WARNING "No C SSE4.1 flag found. Consider a newer compiler, or disable SSE4.1 for slightly lower performance.")
600 # Not surprising if we end up here! MSVC current does not support the SSE4.1 flag. However, it appears to accept SSE4.1
601 # intrinsics when SSE2 support is enabled, so we try that instead.
602 GMX_TEST_CFLAG(MSVC_SSE2_CFLAG "/arch:SSE2" GROMACS_C_FLAGS)
603 endif(NOT GNU_SSE4_CFLAG AND NOT MSVC_SSE4_CFLAG)
605 GMX_TEST_CXXFLAG(GNU_SSE4_CXXFLAG "-msse4.1" GROMACS_CXX_FLAG)
606 if (NOT GNU_SSE4_CXXFLAG)
607 GMX_TEST_CXXFLAG(MSVC_SSE4_CXXFLAG "/arch:SSE4.1" GROMACS_CXX_FLAGS)
608 endif(NOT GNU_SSE4_CXXFLAG)
609 if (NOT GNU_SSE4_CXXFLAG AND NOT MSVC_SSE4_CXXFLAG)
610 message(WARNING "No C++ SSE4.1 flag found. Consider a newer compiler, or disable SSE4.1 for slightly lower performance.")
611 # Not surprising if we end up here! MSVC current does not support the SSE4.1 flag. However, it appears to accept SSE4.1
612 # intrinsics when SSE2 support is enabled, so we try that instead.
613 GMX_TEST_CXXFLAG(MSVC_SSE2_CXXFLAG "/arch:SSE2" GROMACS_CXX_FLAGS)
614 endif(NOT GNU_SSE4_CXXFLAG AND NOT MSVC_SSE4_CXXFLAG)
616 # This must come after we have added the -msse4.1 flag on some platforms.
617 check_include_file(smmintrin.h HAVE_SMMINTRIN_H ${GROMACS_C_FLAGS})
619 if(NOT HAVE_SMMINTRIN_H)
620 message(FATAL_ERROR "Cannot find smmintrin.h, which is required for SSE4.1 intrinsics support.")
621 endif(NOT HAVE_SMMINTRIN_H)
623 # The user should not be able to set this orthogonally to the acceleration
624 set(GMX_X86_SSE4_1 1)
627 message(STATUS "Enabling SSE4.1 Gromacs acceleration, and it will help compiler optimization.")
629 elseif(${GMX_ACCELERATION} STREQUAL "AVX_128_FMA" OR ${GMX_ACCELERATION} STREQUAL "AVX_256")
631 # Set the AVX compiler flag for both these choices!
633 GMX_TEST_CFLAG(GNU_AVX_CFLAG "-mavx" GROMACS_C_FLAGS)
634 if (NOT GNU_AVX_CFLAG)
635 GMX_TEST_CFLAG(MSVC_AVX_CFLAG "/arch:AVX" GROMACS_C_FLAGS)
636 endif (NOT GNU_AVX_CFLAG)
637 if (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
638 message(WARNING "No C AVX flag found. Consider a newer compiler, or disable AVX for much lower performance.")
639 endif (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
641 GMX_TEST_CXXFLAG(GNU_AVX_CXXFLAG "-mavx" GROMACS_CXX_FLAGS)
642 if (NOT GNU_AVX_CXXFLAG)
643 GMX_TEST_CXXFLAG(MSVC_AVX_CXXFLAG "/arch:AVX" GROMACS_CXX_FLAGS)
644 endif (NOT GNU_AVX_CXXFLAG)
645 if (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
646 message(WARNING "No C++ AVX flag found. Consider a newer compiler, or disable AVX for much lower performance.")
647 endif (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
649 # Only test the header after we have tried to add the flag for AVX support
650 check_include_file(immintrin.h HAVE_IMMINTRIN_H ${GROMACS_C_FLAGS})
652 if(NOT HAVE_IMMINTRIN_H)
653 message(FATAL_ERROR "Cannot find immintrin.h, which is required for AVX intrinsics support. Consider switching compiler.")
654 endif(NOT HAVE_IMMINTRIN_H)
656 # AMD says we should include x86intrin.h for FMA support, but MSVC seems to do fine without it, so don't require it.
657 check_include_file(x86intrin.h HAVE_X86INTRIN_H ${GROMACS_C_FLAGS})
659 # The user should not be able to set this orthogonally to the acceleration
660 set(GMX_X86_SSE4_1 1)
663 # But just enable one of the choices internally...
664 if(${GMX_ACCELERATION} STREQUAL "AVX_128_FMA")
665 set(GMX_X86_AVX_128_FMA 1)
666 message(STATUS "Enabling 128-bit AVX Gromacs acceleration (with fused-multiply add), and it will help compiler optimization.")
668 # If we are not doing AVX_128, it must be AVX_256...
669 set(GMX_X86_AVX_256 1)
670 message(STATUS "Enabling 256-bit AVX Gromacs acceleration, and it will help compiler optimization.")
673 elseif(${GMX_ACCELERATION} STREQUAL "FORTRAN")
675 # Fortran is temporarily disabled while we push in nbNxN kernels.
676 # We need to fake it a bit here to avoid jenkins build errors!
677 # add_definitions(-DGMX_FORTRAN)
679 elseif(${GMX_ACCELERATION} STREQUAL "BLUEGENE")
680 # GMX_ACCELERATION=BlueGene should be set in the Toolchain-BlueGene?-???.cmake file
681 message(STATUS "Configuring for BlueGene")
683 if (${CMAKE_SYSTEM_NAME} STREQUAL "BlueGeneL")
684 set(SHARED_LIBS_DEFAULT OFF CACHE BOOL "Shared libraries not compatible with BlueGene/L, disabled!" FORCE)
685 set(BUILD_SHARED_LIBS OFF CACHE BOOL "Shared libraries not compatible with BlueGene/L, disabled!" FORCE)
686 endif (${CMAKE_SYSTEM_NAME} STREQUAL "BlueGeneL")
687 set(GMX_SOFTWARE_INVSQRT OFF CACHE BOOL "Do not use software reciprocal square root on BlueGene" FORCE)
688 set(GMX_POWERPC_INVSQRT ON CACHE BOOL "Use hardware reciprocal square root on BlueGene" FORCE)
689 set(GMX_X11 OFF CACHE BOOL "X11 not compatible with BlueGene, disabled!" FORCE)
690 set(GMX_THREAD_MPI OFF CACHE BOOL "Thread-MPI not compatible with BlueGene, disabled!" FORCE)
691 set(GMX_MPI ON CACHE BOOL "Use MPI on BlueGene" FORCE)
692 elseif(${GMX_ACCELERATION} STREQUAL "POWER6")
694 set(GMX_SOFTWARE_INVSQRT OFF CACHE BOOL "Do not use software reciprocal square root on Power6" FORCE)
695 set(GMX_POWERPC_INVSQRT ON CACHE BOOL "Use hardware reciprocal square root on Power6" FORCE)
696 else(${GMX_ACCELERATION} STREQUAL "NONE")
697 MESSAGE(FATAL_ERROR "Unrecognized option for accelerated kernels: ${GMX_ACCELERATION}. Pick one of None, SSE2, SSE4.1, AVX_128_FMA, AVX_256, Fortran, BlueGene, Power6")
698 endif(${GMX_ACCELERATION} STREQUAL "NONE")
700 if(GMX_FORTRAN OR GMX_POWER6)
702 message(FATAL_ERROR "FORTRAN/POWER6 is incompatible with thread-MPI and only provides a speed-up on certain IBM compilers. Disable FORTRAN (or threads if you really want to use FORTRAN kernels).")
703 endif(GMX_THREAD_MPI)
704 enable_language(Fortran)
705 include(FortranCInterface)
706 discover_fortran_mangling(prefix isupper suffix extra_under_score found)
707 if(extra_under_score)
709 endif(extra_under_score)
711 set(prefix "${prefix} ##")
714 set(suffix "## ${suffix}")
716 set(extrasuffix "${suffix}${extrasuffix}")
720 # Don't know if this is needed, but it can't hurt
721 set(extrasuffix "## ${extrasuffix}")
726 set(F77_FUNCDEF "${prefix} NAME ${suffix}")
727 set(F77_FUNCDEF_ "${prefix} NAME ${extrasuffix}")
729 set(F77_FUNCDEF "${prefix} name ${suffix}")
730 set(F77_FUNCDEF_ "${prefix} name ${extrasuffix}")
732 else(GMX_FORTRAN OR GMX_POWER6)
733 set(F77_FUNCDEF "name ## _")
734 set(F77_FUNCDEF_ "name ## _")
735 endif(GMX_FORTRAN OR GMX_POWER6)
737 # Process QM/MM Settings
738 string(TOUPPER ${GMX_QMMM_PROGRAM} ${GMX_QMMM_PROGRAM})
739 if(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
740 set(GMX_QMMM_GAUSSIAN 1)
741 elseif(${GMX_QMMM_PROGRAM} STREQUAL "MOPAC")
742 set(GMX_QMMM_MOPAC 1)
743 elseif(${GMX_QMMM_PROGRAM} STREQUAL "GAMESS")
744 set(GMX_QMMM_GAMESS 1)
745 elseif(${GMX_QMMM_PROGRAM} STREQUAL "ORCA")
747 elseif(${GMX_QMMM_PROGRAM} STREQUAL "NONE")
749 else(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
750 MESSAGE(FATAL_ERROR "Invalid QM/MM program option: ${GMX_QMMM_PROGRAM}. Choose one of: Gaussian, Mopac, Gamess, Orca, None")
751 endif(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
753 # Process FFT library settings - if not OpenMM build
754 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
757 if(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
759 find_package(FFTW 3 COMPONENTS fftw)
761 find_package(FFTW 3 COMPONENTS fftwf)
764 MESSAGE(FATAL_ERROR "Cannot find FFTW3 (with correct precision - libfftw3f for single precision GROMACS or libfftw3 for double precision GROMACS). Fix it, choose another FFT library, or use the Gromacs built-in fftpack (slower)!")
765 endif(NOT FFTW_FOUND)
766 include_directories(${FFTW_INCLUDE_DIRS})
767 set(FFT_LIBRARIES ${FFTW_LIBRARIES})
768 set(PKG_FFT "${FFTW_PKG}")
772 if (${GMX_ACCELERATION} STREQUAL "SSE" AND NOT FFTW_HAVE_SSE)
773 message(WARNING "The fftw library found is compiled without SSE support, which makes it slow. Consider recompiling it or contact your admin")
774 endif (${GMX_ACCELERATION} STREQUAL "SSE" AND NOT FFTW_HAVE_SSE)
776 elseif(${GMX_FFT_LIBRARY} STREQUAL "MKL")
777 # MESSAGE(STATUS "Using external FFT library - Intel MKL")
778 find_package(MKL REQUIRED)
779 include_directories(${MKL_INCLUDE_DIR})
780 set(FFT_LIBRARIES ${MKL_LIBRARIES})
781 set(PKG_FFT_LIBS ${MKL_LIBRARIES})
786 #elseif(${GMX_FFT_LIBRARY} STREQUAL "ACML")
787 # MESSAGE(STATUS "Using external FFT library - AMD core math library")
788 # set(GMX_FFT_ACML 1)
789 elseif(${GMX_FFT_LIBRARY} STREQUAL "FFTPACK")
790 MESSAGE(STATUS "Using internal FFT library - fftpack")
791 set(GMX_FFT_FFTPACK 1)
792 else(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
793 MESSAGE(FATAL_ERROR "Invalid FFT library setting: ${GMX_FFT_LIBRARY}. Choose one of: fftw3, mkl, fftpack")
794 endif(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
796 set(GMX_EXTERNAL_BLAS TRUE CACHE BOOL "Use external BLAS instead of built-in")
797 set(GMX_EXTERNAL_LAPACK TRUE CACHE BOOL "Use external LAPACK instead of built-in")
798 # MKL has BLAS/LAPACK routines
799 if(NOT HAVE_MKL AND NOT ACCELERATE_FRAMEWORK)
800 if(GMX_EXTERNAL_BLAS)
802 list(APPEND GMX_EXTRA_LIBRARIES ${GMX_BLAS_USER})
804 set(BLAS_FIND_QUIETLY ON)
807 list(APPEND GMX_EXTRA_LIBRARIES ${BLAS_LIBRARIES})
809 MESSAGE(STATUS "Using internal BLAS library")
810 set(GMX_EXTERNAL_BLAS FALSE CACHE BOOL "Use external BLAS instead of built-in" FORCE)
813 endif(GMX_EXTERNAL_BLAS)
814 if(GMX_EXTERNAL_LAPACK)
816 list(APPEND GMX_EXTRA_LIBRARIES ${GMX_LAPACK_USER})
817 else(GMX_LAPACK_USER)
818 set(LAPACK_FIND_QUIETLY ON)
821 list(APPEND GMX_EXTRA_LIBRARIES ${LAPACK_LIBRARIES})
823 MESSAGE(STATUS "Using internal LAPACK library")
824 set(GMX_EXTERNAL_LAPACK FALSE CACHE BOOL "Use external LAPACK instead of built-in" FORCE)
826 endif(GMX_LAPACK_USER)
827 endif(GMX_EXTERNAL_LAPACK)
829 mark_as_advanced(GMX_EXTERNAL_LAPACK)
830 mark_as_advanced(GMX_EXTERNAL_BLAS)
832 set(GMX_USE_PLUGINS OFF CACHE INTERNAL "Whether GROMACS will really try to compile support for VMD plugins")
833 set(GMX_VMD_PLUGIN_PATH)
834 mark_as_advanced(GMX_VMD_PLUGIN_PATH)
837 if(CYGWIN OR NOT WIN32)
838 # Native Windows does not have, nor need dlopen
839 # Note that WIN32 is set with Cygwin, but Cygwin needs dlopen to use plug-ins
840 include(gmxTestdlopen)
841 gmx_test_dlopen(HAVE_DLOPEN)
846 # Test for unsuitable versions of VMD
848 if(VMD_FOUND AND NOT GMX_VMD_PLUGIN_PATH)
849 message(STATUS "Checking for suitable VMD version")
850 exec_program(${VMD_EXECUTABLE}
852 OUTPUT_VARIABLE VMD_HELP
853 RETURN_VALUE VMD_EXEC_RETURN)
855 if(VMD_EXEC_RETURN EQUAL 0)
856 # This is the accepted idiom for subexpression matching, unfortunately
857 string(REGEX REPLACE ".*VMD for .*, version ([0-9]+\\.[0-9]*\\.?[0-9]*).*" "\\1" VMD_VERSION ${VMD_HELP})
858 string(REGEX REPLACE ".*VMD for (.*), version .*" "\\1" VMD_ARCH ${VMD_HELP})
860 if(VMD_VERSION VERSION_LESS "1.8")
861 MESSAGE(WARNING "Found VMD version ${VMD_VERSION}, but GROMACS needs at least 1.8")
862 unset(VMD_EXECUTABLE)
865 message(STATUS "VMD version ${VMD_VERSION} is suitable")
866 if(DEFINED ENV{VMDDIR})
867 # This permits GROMACS to avoid hard-coding a fall-back
868 # path that it can tell right now would be useless.
869 set(GMX_VMD_PLUGIN_PATH "$ENV{VMDDIR}/plugins/${VMD_ARCH}/molfile" CACHE PATH "Path to VMD plugins for molfile I/O")
871 set(GMX_VMD_PLUGIN_PATH "/usr/local/lib/vmd/plugins/*/molfile" CACHE PATH "Path to VMD plugins for molfile I/O")
882 # so, should we use plug-ins?
883 if((WIN32 AND NOT CYGWIN) OR (HAVE_DLOPEN AND BUILD_SHARED_LIBS))
885 MESSAGE(STATUS "Found the ability to use plug-ins when building shared libaries, so will compile to use plug-ins (e.g. to read VMD-supported file formats).")
886 endif(NOT VMD_QUIETLY)
887 set(GMX_USE_PLUGINS ON)
888 list(APPEND GMX_EXTRA_LIBRARIES ${CMAKE_DL_LIBS}) # magic cross-platform pre-set variable for dlopen library
889 set(PKG_DL_LIBS "-l${CMAKE_DL_LIBS}")
893 endif(GMX_LOAD_PLUGINS)
894 set(VMD_QUIETLY TRUE CACHE INTERNAL "")
896 # Math and thread libraries must often come after all others when linking...
898 list(APPEND GMX_EXTRA_LIBRARIES m)
902 set(COREWRAP_INCLUDE_DIR "${CMAKE_SOURCE_DIR}/../corewrap" CACHE STRING
903 "Path to swindirect.h")
904 include_directories(${COREWRAP_INCLUDE_DIR})
907 # # # # # # # # # # NO MORE TESTS AFTER THIS LINE! # # # # # # # # # # #
908 # these are set after everything else
909 if (NOT DEFINED GROMACS_C_FLAGS_SET)
910 set(GROMACS_C_FLAGS_SET true CACHE INTERNAL "Whether to reset the C flags"
912 set(CMAKE_C_FLAGS "${GROMACS_C_FLAGS} ${CMAKE_C_FLAGS}" CACHE STRING
913 "Flags used by the compiler during all build types" FORCE)
914 set(CMAKE_CXX_FLAGS "${GROMACS_CXX_FLAGS} ${CMAKE_CXX_FLAGS}" CACHE STRING
915 "Flags used by the compiler during all build types" FORCE)
916 set(CMAKE_EXE_LINKER_FLAGS
917 "${GROMACS_LINKER_FLAGS} ${CMAKE_EXE_LINKER_FLAGS}"
918 CACHE STRING "Linker flags" FORCE)
919 endif (NOT DEFINED GROMACS_C_FLAGS_SET)
921 ######################################
922 # Output compiler and CFLAGS used
923 ######################################
924 execute_process(COMMAND ${CMAKE_C_COMPILER} --version RESULT_VARIABLE TMP_RESULT OUTPUT_VARIABLE CC_VERSION ERROR_VARIABLE CC_VERSION)
925 #try executing just the compiler command if that failed...
927 execute_process(COMMAND ${CMAKE_C_COMPILER} RESULT_VARIABLE TMP_RESULT OUTPUT_VARIABLE CC_VERSION ERROR_VARIABLE CC_VERSION)
929 string(LENGTH "${CC_VERSION}" len)
931 string(REGEX MATCH "[^\n]*" CC_VERSION "${CC_VERSION}")
934 set(BUILD_COMPILER "@CMAKE_C_COMPILER@ @CMAKE_C_COMPILER_ID@ @CC_VERSION@")
935 set(BUILD_CFLAGS "@CMAKE_C_FLAGS@")
936 if(CMAKE_BUILD_TYPE STREQUAL "Debug")
937 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_DEBUG@")
938 elseif(CMAKE_BUILD_TYPE STREQUAL "Release")
939 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_RELEASE@")
940 elseif(CMAKE_BUILD_TYPE STREQUAL "MinSizeRel")
941 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_MINSIZEREL@")
942 elseif(CMAKE_BUILD_TYPE STREQUAL "RelWithDebInfo")
943 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_RELWITHDEBINFO@")
947 ########################################################################
948 # Specify install locations and which subdirectories to process #
949 ########################################################################
950 if ( DEFINED GMXLIB )
951 set(LIB_INSTALL_DIR "${CMAKE_INSTALL_PREFIX}/${GMXLIB}")
953 set(LIB_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/lib)
955 set(BIN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/bin)
956 set(DATA_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/gromacs)
957 set(MAN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/man)
958 set(INCL_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/include)
960 set(GMXLIBDIR ${DATA_INSTALL_DIR}/top)
962 ##################################################################
963 # Shared library settings - Darwin uses INSTALL_NAME_DIR instead!
964 ##################################################################
965 if(NOT CMAKE_SYSTEM_NAME STREQUAL "Darwin")
966 set(CMAKE_SKIP_BUILD_RPATH FALSE)
967 set(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE)
968 set(CMAKE_INSTALL_RPATH "${LIB_INSTALL_DIR}")
969 set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)
972 add_subdirectory(share)
973 add_subdirectory(include)
974 add_subdirectory(man)
975 add_subdirectory(src)
976 add_subdirectory(scripts)
978 #######################
980 #######################
982 "${CMAKE_CURRENT_SOURCE_DIR}/cmake/cmake_uninstall.cmake.in"
983 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake"
985 ###########################
986 ADD_CUSTOM_TARGET(uninstall
987 "${CMAKE_COMMAND}" -P
988 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake")
989 ###########################
992 ########################################################################
994 ########################################################################
997 mark_as_advanced(BUILD_TESTING)
1000 add_subdirectory(tests)