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} ${GROMACS_CXX_FLAGS}")
188 add_definitions(-DGMX_OPENMP)
191 "Compiler not supporting OpenMP. This might hurt your performance a lot, "
192 "in particular with GPUs. Try using a different compiler (Intel is good on x86) "
193 "if you can - for now we are proceeding by turning off OpenMP.")
194 set(GMX_OPENMP OFF CACHE STRING "Compiler does not support OpenMP." FORCE)
202 ########################################################################
203 # Set up binary and library suffixing
204 ########################################################################
205 set(GMX_BINARY_SUFFIX "" CACHE STRING "Suffix for GROMACS binaries (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
206 set(GMX_LIBS_SUFFIX ""
207 CACHE STRING "Suffix for GROMACS libs (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
208 if (GMX_DEFAULT_SUFFIX)
209 set(GMX_BINARY_SUFFIX "")
210 set(GMX_LIBS_SUFFIX "")
212 set(GMX_BINARY_SUFFIX "_mpi")
213 set(GMX_LIBS_SUFFIX "_mpi")
216 set (GMX_BINARY_SUFFIX "${GMX_BINARY_SUFFIX}_d")
217 set (GMX_LIBS_SUFFIX "${GMX_LIBS_SUFFIX}_d")
220 set (GMX_BINARY_SUFFIX "-openmm")
221 set (GMX_LIBS_SUFFIX "_openmm")
223 mark_as_advanced(FORCE GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
224 if (NOT SUFFIX_QUIETLY)
225 message(STATUS "Using default binary suffix: \"${GMX_BINARY_SUFFIX}\"")
226 message(STATUS "Using default library suffix: \"${GMX_LIBS_SUFFIX}\"")
227 endif (NOT SUFFIX_QUIETLY)
228 else(GMX_DEFAULT_SUFFIX)
229 mark_as_advanced(CLEAR GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
230 if (NOT SUFFIX_QUIETLY)
231 message(STATUS "Using manually set binary suffix: \"${GMX_BINARY_SUFFIX}\"")
232 message(STATUS "Using manually set library suffix: \"${GMX_LIBS_SUFFIX}\"")
233 endif (NOT SUFFIX_QUIETLY)
234 endif(GMX_DEFAULT_SUFFIX)
235 set(SUFFIX_QUIETLY TRUE CACHE INTERNAL "")
239 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_DOUBLE")
241 if(GMX_SOFTWARE_INVSQRT)
242 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_SOFTWARE_INVSQRT")
243 endif(GMX_SOFTWARE_INVSQRT)
244 if(GMX_POWERPC_INVSQRT)
245 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_POWERPC_INVSQRT")
246 endif(GMX_POWERPC_INVSQRT)
248 ########################################################################
249 #Process MPI settings
250 ########################################################################
251 include(gmxManageMPI)
253 #######################################################################
254 # Check for options incompatible with OpenMM build #
255 #######################################################################
257 # we'll use the built-in fft to avoid unnecessary dependencies
258 string(TOUPPER ${GMX_FFT_LIBRARY} GMX_FFT_LIBRARY)
259 if(NOT ${GMX_FFT_LIBRARY} STREQUAL "FFTPACK")
260 message(STATUS "No external FFT libraries needed for the OpenMM build, switching to fftpack!")
261 set(GMX_FFT_LIBRARY "fftpack" CACHE STRING
262 "No external FFT libraries needed for the OpenMM build, switching to fftpack!" FORCE)
265 message(FATAL_ERROR "The OpenMM build is not compatible with MPI!")
268 message(STATUS "Thread-MPI not compatible with OpenMM, disabled!")
269 set(GMX_THREAD_MPI OFF CACHE BOOL
270 "Thread-MPI not compatible with OpenMM build, disabled!" FORCE)
271 endif(GMX_THREAD_MPI)
273 message(STATUS "OpenMP multithreading not compatible with OpenMM, disabled")
274 set(GMX_OPENMP OFF CACHE BOOL
275 "OpenMP multithreading not compatible with OpenMM, disabled!" FORCE)
277 if(GMX_SOFTWARE_INVSQRT)
278 set(GMX_SOFTWARE_INVSQRT OFF CACHE STRING
279 "The OpenMM build does not need GROMACS software 1/sqrt!" FORCE)
280 endif(GMX_SOFTWARE_INVSQRT)
281 string(TOUPPER ${GMX_ACCELERATION} GMX_ACCELERATION)
282 if(NOT GMX_ACCELERATION STREQUAL "NONE")
283 message(STATUS "Switching off CPU-based acceleration, the OpenMM build does not support/need any!")
284 set(GMX_ACCELERATION "none" CACHE STRING
285 "Switching off CPU-based acceleration, the OpenMM build does not support/need any!" FORCE)
288 message(FATAL_ERROR "The OpenMM build does not support FAH build!")
291 message(FATAL_ERROR "The OpenMM-build does not support double precision calculations!")
293 # mark as advanced the unused variables
294 mark_as_advanced(FORCE GMX_ACCELERATION GMX_MPI GMX_FFT_LIBRARY
295 GMX_QMMM_PROGRAM GMX_THREAD_MPI GMX_DOUBLE)
297 mark_as_advanced(CLEAR GMX_ACCELERATION GMX_MPI GMX_FFT_LIBRARY
298 GMX_QMMM_PROGRAM GMX_THREAD_MPI GMX_DOUBLE)
304 ########################################################################
305 # Basic system tests (standard libraries, headers, functions, types) #
306 ########################################################################
307 include(CheckIncludeFiles)
308 check_include_files(string.h HAVE_STRING_H)
309 check_include_files(math.h HAVE_MATH_H)
310 check_include_files(limits.h HAVE_LIMITS_H)
311 check_include_files(memory.h HAVE_MEMORY_H)
312 check_include_files(unistd.h HAVE_UNISTD_H)
313 check_include_files(direct.h HAVE_DIRECT_H)
314 check_include_files(pwd.h HAVE_PWD_H)
315 check_include_files(stdint.h HAVE_STDINT_H)
316 check_include_files(stdlib.h HAVE_STDLIB_H)
317 check_include_files(pthread.h HAVE_PTHREAD_H)
318 check_include_files(dirent.h HAVE_DIRENT_H)
319 check_include_files(inttypes.h HAVE_INTTYPES_H)
320 check_include_files(regex.h HAVE_REGEX_H)
321 check_include_files(sys/types.h HAVE_SYS_TYPES_H)
322 check_include_files(sys/stat.h HAVE_SYS_STAT_H)
323 check_include_files(sys/time.h HAVE_SYS_TIME_H)
324 check_include_files(rpc/rpc.h HAVE_RPC_RPC_H)
325 check_include_files("rpc/rpc.h;rpc/xdr.h" HAVE_RPC_XDR_H)
326 check_include_files(io.h HAVE_IO_H)
329 include(CheckFunctionExists)
330 check_function_exists(strcasecmp HAVE_STRCASECMP)
331 check_function_exists(strdup HAVE_STRDUP)
332 check_function_exists(vprintf HAVE_VPRINTF)
333 check_function_exists(memcmp HAVE_MEMCMP)
334 check_function_exists(posix_memalign HAVE_POSIX_MEMALIGN)
335 check_function_exists(memalign HAVE_MEMALIGN)
336 check_function_exists(_aligned_malloc HAVE__ALIGNED_MALLOC)
337 check_function_exists(gettimeofday HAVE_GETTIMEOFDAY)
338 check_function_exists(isnan HAVE_ISNAN)
339 check_function_exists(_isnan HAVE__ISNAN)
340 check_function_exists(fsync HAVE_FSYNC)
341 check_function_exists(_fileno HAVE__FILENO)
342 check_function_exists(fileno HAVE_FILENO)
343 check_function_exists(_commit HAVE__COMMIT)
344 check_function_exists(lstat HAVE_LSTAT)
345 check_function_exists(sigaction HAVE_SIGACTION)
347 include(CheckLibraryExists)
348 check_library_exists(m sqrt "" HAVE_LIBM)
349 check_library_exists(m cbrt "" HAVE_CBRT)
352 include(CheckTypeSize)
354 check_type_size("bool" SIZEOF_BOOL) # will also set HAVE_BOOL
355 check_type_size("int" SIZEOF_INT)
356 check_type_size("long int" SIZEOF_LONG_INT)
357 check_type_size("long long int" SIZEOF_LONG_LONG_INT)
358 check_type_size("off_t" SIZEOF_OFF_T)
359 check_type_size("void *" SIZEOF_VOIDP)
361 if (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
363 else (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
364 set(GMX_64_BIT FALSE)
365 endif (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
367 # Check for some basic types that we *need*, so set these to int if they are not present
368 check_type_size(uid_t uid_t)
375 check_type_size(gid_t gid_t)
382 check_type_size(size_t size_t)
389 check_type_size(off_t off_t)
396 include(TestBigEndian)
397 test_big_endian(GMX_INTEGER_BIG_ENDIAN)
402 ########################################################################
403 # Find external packages #
404 ########################################################################
405 if(UNIX AND NOT APPLE)
406 if(GMX_PREFER_STATIC_LIBS)
407 SET(CMAKE_FIND_LIBRARY_SUFFIXES .a ${CMAKE_FIND_LIBRARY_SUFFIXES})
408 if(BUILD_SHARED_LIBS)
409 message(WARNING "Static libraries requested, the GROMACS libraries will also be build static (BUILD_SHARED_LIBS=OFF)")
410 set(BUILD_SHARED_LIBS OFF CACHE BOOL "Enable shared libraries (can be problematic with MPI, Windows)" FORCE)
415 option(GMX_XML "Use libxml2 to parse xml files" ON)
417 find_package(LibXml2)
420 include_directories(${LIBXML2_INCLUDE_DIR})
421 set(PKG_XML libxml-2.0)
422 set(XML_LIBRARIES ${LIBXML2_LIBRARIES})
427 option(GMX_GSL "Add support for gsl" OFF)
432 include_directories(${GSL_INCLUDE_DIR})
438 option(GMX_X11 "Use X window system" OFF)
441 # X11 includes/libraries are only set in the ngmx subdirectory!
448 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_THREAD_MPI")
450 set(THREAD_MPI_LIB thread_mpi)
452 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
453 endif(GMX_THREAD_MPI)
456 set(CUDA_BUILD_EMULATION OFF)
457 find_package(CUDA 3.1 REQUIRED)
458 add_definitions(-DGMX_OPENMM)
459 if(CMAKE_BUILD_TYPE STREQUAL "DEBUG")
460 set(CUDA_VERBOSE_BUILD ON)
467 find_library(ACCELERATE_FRAMEWORK Accelerate)
468 list(APPEND GMX_EXTRA_LIBRARIES ${ACCELERATE_FRAMEWORK})
475 if(WIN32 AND NOT CYGWIN)
476 set(GMX_NATIVE_WINDOWS 1)
479 # only bother with finding git and using version.h if the source is a git repo
480 if(EXISTS "${CMAKE_SOURCE_DIR}/.git")
482 # We need at least git v1.5.3 be able to parse git's date output. If not
483 # found or the version is too small, we can't generate version information.
486 # Find out the git version
487 if(GIT_FOUND AND NOT GIT_VERSION)
488 execute_process(COMMAND ${GIT_EXECUTABLE} "--version"
489 OUTPUT_VARIABLE _exec_out
490 OUTPUT_STRIP_TRAILING_WHITESPACE)
491 string(REGEX REPLACE "git version (.*)" "\\1" GIT_VERSION ${_exec_out})
492 set(GIT_VERSION ${GIT_VERSION} CACHE STRING "Git version")
493 mark_as_advanced(GIT_VERSION)
496 if(NOT GIT_FOUND OR GIT_VERSION VERSION_LESS "1.5.3")
497 message("No compatible git version found, won't be able to generate proper development version information.")
498 set(USE_VERSION_H OFF)
502 set(USE_VERSION_H OFF)
505 ########################################################################
506 # Generate development version info for cache
507 ########################################################################
508 # set(GEN_VERSION_INFO_INTERNAL "ON")
509 # include(gmxGenerateVersionString)
511 ########################################################################
512 # Our own GROMACS tests
513 ########################################################################
515 add_definitions( -DHAVE_CONFIG_H )
516 include_directories(${CMAKE_BINARY_DIR}/src)
517 include_directories(${CMAKE_BINARY_DIR}/include)
518 include_directories(${CMAKE_SOURCE_DIR}/include)
520 include(gmxTestInlineASM)
521 gmx_test_inline_asm_gcc_x86(GMX_X86_GCC_INLINE_ASM)
523 include(gmxSetBuildInformation)
524 gmx_set_build_information()
525 if(BUILD_CPU_FEATURES MATCHES "rdtscp")
526 # The timestep counter headers do not include config.h
527 add_definitions(-DHAVE_RDTSCP)
528 endif(BUILD_CPU_FEATURES MATCHES "rdtscp")
530 include(gmxTestFloatFormat)
531 gmx_test_float_format(GMX_FLOAT_FORMAT_IEEE754
532 GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
533 GMX_IEEE754_BIG_ENDIAN_WORD_ORDER)
535 include(gmxTestLargeFiles)
536 gmx_test_large_files(GMX_LARGEFILES)
537 check_function_exists(fseeko HAVE_FSEEKO)
539 include(gmxTestSignal)
540 gmx_test_sigusr1(HAVE_SIGUSR1)
542 include(gmxTestInline)
543 gmx_test_inline(INLINE_KEYWORD)
545 include(gmxTestRestrict)
546 gmx_test_inline(RESTRICT_KEYWORD)
548 include(gmxTestPipes)
549 gmx_test_pipes(HAVE_PIPES)
551 include(gmxTestIsfinite)
552 gmx_test_isfinite(HAVE_ISFINITE)
553 gmx_test__isfinite(HAVE__ISFINITE)
554 gmx_test__finite(HAVE__FINITE)
557 gmx_test_xdr(GMX_SYSTEM_XDR)
558 if(NOT GMX_SYSTEM_XDR)
559 set(GMX_INTERNAL_XDR 1)
560 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_INTERNAL_XDR")
561 endif(NOT GMX_SYSTEM_XDR)
563 # Process nonbonded accelerated kernels settings
564 string(TOUPPER ${GMX_ACCELERATION} ${GMX_ACCELERATION})
565 if(${GMX_ACCELERATION} STREQUAL "NONE")
567 elseif(${GMX_ACCELERATION} STREQUAL "SSE2")
569 GMX_TEST_CFLAG(GNU_SSE2_CFLAG "-msse2" GROMACS_C_FLAGS)
570 if(NOT GNU_SSE2_CFLAG)
571 GMX_TEST_CFLAG(MSVC_SSE2_CFLAG "/arch:SSE2" GROMACS_C_FLAGS)
572 endif(NOT GNU_SSE2_CFLAG)
574 GMX_TEST_CXXFLAG(GNU_SSE2_CXXFLAG "-msse2" GROMACS_CXX_FLAGS)
575 if(NOT GNU_SSE2_CXXFLAG)
576 GMX_TEST_CXXFLAG(MSVC_SSE2_CXXFLAG "/arch:SSE2" GROMACS_CXX_FLAGS)
577 endif(NOT GNU_SSE2_CXXFLAG)
579 # We dont warn for lacking SSE2 flag support, since that is probably standard today.
581 # Only test the include after we have tried to add the correct flag for SSE2 support
582 check_include_file(emmintrin.h HAVE_EMMINTRIN_H ${GROMACS_C_FLAGS})
584 if(NOT HAVE_EMMINTRIN_H)
585 message(FATAL_ERROR "Cannot find emmintrin.h, which is required for SSE2 intrinsics support.")
586 endif(NOT HAVE_EMMINTRIN_H)
588 # The user should not be able to set this orthogonally to the acceleration
591 message(STATUS "Enabling SSE2 Gromacs acceleration, and it will help compiler optimization.")
593 elseif(${GMX_ACCELERATION} STREQUAL "SSE4.1")
595 GMX_TEST_CFLAG(GNU_SSE4_CFLAG "-msse4.1" GROMACS_C_FLAGS)
596 if (NOT GNU_SSE4_CFLAG)
597 GMX_TEST_CFLAG(MSVC_SSE4_CFLAG "/arch:SSE4.1" GROMACS_C_FLAGS)
598 endif(NOT GNU_SSE4_CFLAG)
599 if (NOT GNU_SSE4_CFLAG AND NOT MSVC_SSE4_CFLAG)
600 message(WARNING "No C SSE4.1 flag found. Consider a newer compiler, or disable SSE4.1 for slightly lower performance.")
601 # Not surprising if we end up here! MSVC current does not support the SSE4.1 flag. However, it appears to accept SSE4.1
602 # intrinsics when SSE2 support is enabled, so we try that instead.
603 GMX_TEST_CFLAG(MSVC_SSE2_CFLAG "/arch:SSE2" GROMACS_C_FLAGS)
604 endif(NOT GNU_SSE4_CFLAG AND NOT MSVC_SSE4_CFLAG)
606 GMX_TEST_CXXFLAG(GNU_SSE4_CXXFLAG "-msse4.1" GROMACS_CXX_FLAG)
607 if (NOT GNU_SSE4_CXXFLAG)
608 GMX_TEST_CXXFLAG(MSVC_SSE4_CXXFLAG "/arch:SSE4.1" GROMACS_CXX_FLAGS)
609 endif(NOT GNU_SSE4_CXXFLAG)
610 if (NOT GNU_SSE4_CXXFLAG AND NOT MSVC_SSE4_CXXFLAG)
611 message(WARNING "No C++ SSE4.1 flag found. Consider a newer compiler, or disable SSE4.1 for slightly lower performance.")
612 # Not surprising if we end up here! MSVC current does not support the SSE4.1 flag. However, it appears to accept SSE4.1
613 # intrinsics when SSE2 support is enabled, so we try that instead.
614 GMX_TEST_CXXFLAG(MSVC_SSE2_CXXFLAG "/arch:SSE2" GROMACS_CXX_FLAGS)
615 endif(NOT GNU_SSE4_CXXFLAG AND NOT MSVC_SSE4_CXXFLAG)
617 # This must come after we have added the -msse4.1 flag on some platforms.
618 check_include_file(smmintrin.h HAVE_SMMINTRIN_H ${GROMACS_C_FLAGS})
620 if(NOT HAVE_SMMINTRIN_H)
621 message(FATAL_ERROR "Cannot find smmintrin.h, which is required for SSE4.1 intrinsics support.")
622 endif(NOT HAVE_SMMINTRIN_H)
624 # The user should not be able to set this orthogonally to the acceleration
625 set(GMX_X86_SSE4_1 1)
628 message(STATUS "Enabling SSE4.1 Gromacs acceleration, and it will help compiler optimization.")
630 elseif(${GMX_ACCELERATION} STREQUAL "AVX_128_FMA" OR ${GMX_ACCELERATION} STREQUAL "AVX_256")
632 # Set the AVX compiler flag for both these choices!
634 GMX_TEST_CFLAG(GNU_AVX_CFLAG "-mavx" GROMACS_C_FLAGS)
635 if (NOT GNU_AVX_CFLAG)
636 GMX_TEST_CFLAG(MSVC_AVX_CFLAG "/arch:AVX" GROMACS_C_FLAGS)
637 endif (NOT GNU_AVX_CFLAG)
638 if (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
639 message(WARNING "No C AVX flag found. Consider a newer compiler, or disable AVX for much lower performance.")
640 endif (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
642 GMX_TEST_CXXFLAG(GNU_AVX_CXXFLAG "-mavx" GROMACS_CXX_FLAGS)
643 if (NOT GNU_AVX_CXXFLAG)
644 GMX_TEST_CXXFLAG(MSVC_AVX_CXXFLAG "/arch:AVX" GROMACS_CXX_FLAGS)
645 endif (NOT GNU_AVX_CXXFLAG)
646 if (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
647 message(WARNING "No C++ AVX flag found. Consider a newer compiler, or disable AVX for much lower performance.")
648 endif (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
650 # Only test the header after we have tried to add the flag for AVX support
651 check_include_file(immintrin.h HAVE_IMMINTRIN_H ${GROMACS_C_FLAGS})
653 if(NOT HAVE_IMMINTRIN_H)
654 message(FATAL_ERROR "Cannot find immintrin.h, which is required for AVX intrinsics support. Consider switching compiler.")
655 endif(NOT HAVE_IMMINTRIN_H)
657 # AMD says we should include x86intrin.h for FMA support, but MSVC seems to do fine without it, so don't require it.
658 check_include_file(x86intrin.h HAVE_X86INTRIN_H ${GROMACS_C_FLAGS})
660 # The user should not be able to set this orthogonally to the acceleration
661 set(GMX_X86_SSE4_1 1)
664 # But just enable one of the choices internally...
665 if(${GMX_ACCELERATION} STREQUAL "AVX_128_FMA")
666 set(GMX_X86_AVX_128_FMA 1)
667 message(STATUS "Enabling 128-bit AVX Gromacs acceleration (with fused-multiply add), and it will help compiler optimization.")
669 # If we are not doing AVX_128, it must be AVX_256...
670 set(GMX_X86_AVX_256 1)
671 message(STATUS "Enabling 256-bit AVX Gromacs acceleration, and it will help compiler optimization.")
674 elseif(${GMX_ACCELERATION} STREQUAL "FORTRAN")
676 # Fortran is temporarily disabled while we push in nbNxN kernels.
677 # We need to fake it a bit here to avoid jenkins build errors!
678 # add_definitions(-DGMX_FORTRAN)
680 elseif(${GMX_ACCELERATION} STREQUAL "BLUEGENE")
681 # GMX_ACCELERATION=BlueGene should be set in the Toolchain-BlueGene?-???.cmake file
682 message(STATUS "Configuring for BlueGene")
684 if (${CMAKE_SYSTEM_NAME} STREQUAL "BlueGeneL")
685 set(SHARED_LIBS_DEFAULT OFF CACHE BOOL "Shared libraries not compatible with BlueGene/L, disabled!" FORCE)
686 set(BUILD_SHARED_LIBS OFF CACHE BOOL "Shared libraries not compatible with BlueGene/L, disabled!" FORCE)
687 endif (${CMAKE_SYSTEM_NAME} STREQUAL "BlueGeneL")
688 set(GMX_SOFTWARE_INVSQRT OFF CACHE BOOL "Do not use software reciprocal square root on BlueGene" FORCE)
689 set(GMX_POWERPC_INVSQRT ON CACHE BOOL "Use hardware reciprocal square root on BlueGene" FORCE)
690 set(GMX_X11 OFF CACHE BOOL "X11 not compatible with BlueGene, disabled!" FORCE)
691 set(GMX_THREAD_MPI OFF CACHE BOOL "Thread-MPI not compatible with BlueGene, disabled!" FORCE)
692 set(GMX_MPI ON CACHE BOOL "Use MPI on BlueGene" FORCE)
693 elseif(${GMX_ACCELERATION} STREQUAL "POWER6")
695 set(GMX_SOFTWARE_INVSQRT OFF CACHE BOOL "Do not use software reciprocal square root on Power6" FORCE)
696 set(GMX_POWERPC_INVSQRT ON CACHE BOOL "Use hardware reciprocal square root on Power6" FORCE)
697 else(${GMX_ACCELERATION} STREQUAL "NONE")
698 MESSAGE(FATAL_ERROR "Unrecognized option for accelerated kernels: ${GMX_ACCELERATION}. Pick one of None, SSE2, SSE4.1, AVX_128_FMA, AVX_256, Fortran, BlueGene, Power6")
699 endif(${GMX_ACCELERATION} STREQUAL "NONE")
701 if(GMX_FORTRAN OR GMX_POWER6)
703 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).")
704 endif(GMX_THREAD_MPI)
705 enable_language(Fortran)
706 include(FortranCInterface)
707 discover_fortran_mangling(prefix isupper suffix extra_under_score found)
708 if(extra_under_score)
710 endif(extra_under_score)
712 set(prefix "${prefix} ##")
715 set(suffix "## ${suffix}")
717 set(extrasuffix "${suffix}${extrasuffix}")
721 # Don't know if this is needed, but it can't hurt
722 set(extrasuffix "## ${extrasuffix}")
727 set(F77_FUNCDEF "${prefix} NAME ${suffix}")
728 set(F77_FUNCDEF_ "${prefix} NAME ${extrasuffix}")
730 set(F77_FUNCDEF "${prefix} name ${suffix}")
731 set(F77_FUNCDEF_ "${prefix} name ${extrasuffix}")
733 else(GMX_FORTRAN OR GMX_POWER6)
734 set(F77_FUNCDEF "name ## _")
735 set(F77_FUNCDEF_ "name ## _")
736 endif(GMX_FORTRAN OR GMX_POWER6)
738 # Process QM/MM Settings
739 string(TOUPPER ${GMX_QMMM_PROGRAM} ${GMX_QMMM_PROGRAM})
740 if(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
741 set(GMX_QMMM_GAUSSIAN 1)
742 elseif(${GMX_QMMM_PROGRAM} STREQUAL "MOPAC")
743 set(GMX_QMMM_MOPAC 1)
744 elseif(${GMX_QMMM_PROGRAM} STREQUAL "GAMESS")
745 set(GMX_QMMM_GAMESS 1)
746 elseif(${GMX_QMMM_PROGRAM} STREQUAL "ORCA")
748 elseif(${GMX_QMMM_PROGRAM} STREQUAL "NONE")
750 else(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
751 MESSAGE(FATAL_ERROR "Invalid QM/MM program option: ${GMX_QMMM_PROGRAM}. Choose one of: Gaussian, Mopac, Gamess, Orca, None")
752 endif(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
754 # Process FFT library settings - if not OpenMM build
755 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
758 if(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
760 find_package(FFTW 3 COMPONENTS fftw)
762 find_package(FFTW 3 COMPONENTS fftwf)
765 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)!")
766 endif(NOT FFTW_FOUND)
767 include_directories(${FFTW_INCLUDE_DIRS})
768 set(FFT_LIBRARIES ${FFTW_LIBRARIES})
769 set(PKG_FFT "${FFTW_PKG}")
773 if (${GMX_ACCELERATION} STREQUAL "SSE" AND NOT FFTW_HAVE_SSE)
774 message(WARNING "The fftw library found is compiled without SSE support, which makes it slow. Consider recompiling it or contact your admin")
775 endif (${GMX_ACCELERATION} STREQUAL "SSE" AND NOT FFTW_HAVE_SSE)
777 elseif(${GMX_FFT_LIBRARY} STREQUAL "MKL")
778 # MESSAGE(STATUS "Using external FFT library - Intel MKL")
779 find_package(MKL REQUIRED)
780 include_directories(${MKL_INCLUDE_DIR})
781 set(FFT_LIBRARIES ${MKL_LIBRARIES})
782 set(PKG_FFT_LIBS ${MKL_LIBRARIES})
787 #elseif(${GMX_FFT_LIBRARY} STREQUAL "ACML")
788 # MESSAGE(STATUS "Using external FFT library - AMD core math library")
789 # set(GMX_FFT_ACML 1)
790 elseif(${GMX_FFT_LIBRARY} STREQUAL "FFTPACK")
791 MESSAGE(STATUS "Using internal FFT library - fftpack")
792 set(GMX_FFT_FFTPACK 1)
793 else(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
794 MESSAGE(FATAL_ERROR "Invalid FFT library setting: ${GMX_FFT_LIBRARY}. Choose one of: fftw3, mkl, fftpack")
795 endif(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
797 set(GMX_EXTERNAL_BLAS TRUE CACHE BOOL "Use external BLAS instead of built-in")
798 set(GMX_EXTERNAL_LAPACK TRUE CACHE BOOL "Use external LAPACK instead of built-in")
799 # MKL has BLAS/LAPACK routines
800 if(NOT HAVE_MKL AND NOT ACCELERATE_FRAMEWORK)
801 if(GMX_EXTERNAL_BLAS)
803 list(APPEND GMX_EXTRA_LIBRARIES ${GMX_BLAS_USER})
805 set(BLAS_FIND_QUIETLY ON)
808 list(APPEND GMX_EXTRA_LIBRARIES ${BLAS_LIBRARIES})
810 MESSAGE(STATUS "Using internal BLAS library")
811 set(GMX_EXTERNAL_BLAS FALSE CACHE BOOL "Use external BLAS instead of built-in" FORCE)
814 endif(GMX_EXTERNAL_BLAS)
815 if(GMX_EXTERNAL_LAPACK)
817 list(APPEND GMX_EXTRA_LIBRARIES ${GMX_LAPACK_USER})
818 else(GMX_LAPACK_USER)
819 set(LAPACK_FIND_QUIETLY ON)
822 list(APPEND GMX_EXTRA_LIBRARIES ${LAPACK_LIBRARIES})
824 MESSAGE(STATUS "Using internal LAPACK library")
825 set(GMX_EXTERNAL_LAPACK FALSE CACHE BOOL "Use external LAPACK instead of built-in" FORCE)
827 endif(GMX_LAPACK_USER)
828 endif(GMX_EXTERNAL_LAPACK)
830 mark_as_advanced(GMX_EXTERNAL_LAPACK)
831 mark_as_advanced(GMX_EXTERNAL_BLAS)
833 set(GMX_USE_PLUGINS OFF CACHE INTERNAL "Whether GROMACS will really try to compile support for VMD plugins")
834 set(GMX_VMD_PLUGIN_PATH)
835 mark_as_advanced(GMX_VMD_PLUGIN_PATH)
838 if(CYGWIN OR NOT WIN32)
839 # Native Windows does not have, nor need dlopen
840 # Note that WIN32 is set with Cygwin, but Cygwin needs dlopen to use plug-ins
841 include(gmxTestdlopen)
842 gmx_test_dlopen(HAVE_DLOPEN)
847 # Test for unsuitable versions of VMD
849 if(VMD_FOUND AND NOT GMX_VMD_PLUGIN_PATH)
850 message(STATUS "Checking for suitable VMD version")
851 exec_program(${VMD_EXECUTABLE}
853 OUTPUT_VARIABLE VMD_HELP
854 RETURN_VALUE VMD_EXEC_RETURN)
856 if(VMD_EXEC_RETURN EQUAL 0)
857 # This is the accepted idiom for subexpression matching, unfortunately
858 string(REGEX REPLACE ".*VMD for .*, version ([0-9]+\\.[0-9]*\\.?[0-9]*).*" "\\1" VMD_VERSION ${VMD_HELP})
859 string(REGEX REPLACE ".*VMD for (.*), version .*" "\\1" VMD_ARCH ${VMD_HELP})
861 if(VMD_VERSION VERSION_LESS "1.8")
862 MESSAGE(WARNING "Found VMD version ${VMD_VERSION}, but GROMACS needs at least 1.8")
863 unset(VMD_EXECUTABLE)
866 message(STATUS "VMD version ${VMD_VERSION} is suitable")
867 if(DEFINED ENV{VMDDIR})
868 # This permits GROMACS to avoid hard-coding a fall-back
869 # path that it can tell right now would be useless.
870 set(GMX_VMD_PLUGIN_PATH "$ENV{VMDDIR}/plugins/${VMD_ARCH}/molfile" CACHE PATH "Path to VMD plugins for molfile I/O")
872 set(GMX_VMD_PLUGIN_PATH "/usr/local/lib/vmd/plugins/*/molfile" CACHE PATH "Path to VMD plugins for molfile I/O")
883 # so, should we use plug-ins?
884 if((WIN32 AND NOT CYGWIN) OR (HAVE_DLOPEN AND BUILD_SHARED_LIBS))
886 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).")
887 endif(NOT VMD_QUIETLY)
888 set(GMX_USE_PLUGINS ON)
889 list(APPEND GMX_EXTRA_LIBRARIES ${CMAKE_DL_LIBS}) # magic cross-platform pre-set variable for dlopen library
890 set(PKG_DL_LIBS "-l${CMAKE_DL_LIBS}")
894 endif(GMX_LOAD_PLUGINS)
895 set(VMD_QUIETLY TRUE CACHE INTERNAL "")
897 # Math and thread libraries must often come after all others when linking...
899 list(APPEND GMX_EXTRA_LIBRARIES m)
903 set(COREWRAP_INCLUDE_DIR "${CMAKE_SOURCE_DIR}/../corewrap" CACHE STRING
904 "Path to swindirect.h")
905 include_directories(${COREWRAP_INCLUDE_DIR})
908 # # # # # # # # # # NO MORE TESTS AFTER THIS LINE! # # # # # # # # # # #
909 # these are set after everything else
910 if (NOT DEFINED GROMACS_C_FLAGS_SET)
911 set(GROMACS_C_FLAGS_SET true CACHE INTERNAL "Whether to reset the C flags"
913 set(CMAKE_C_FLAGS "${GROMACS_C_FLAGS} ${CMAKE_C_FLAGS}" CACHE STRING
914 "Flags used by the compiler during all build types" FORCE)
915 set(CMAKE_CXX_FLAGS "${GROMACS_CXX_FLAGS} ${CMAKE_CXX_FLAGS}" CACHE STRING
916 "Flags used by the compiler during all build types" FORCE)
917 set(CMAKE_EXE_LINKER_FLAGS
918 "${GROMACS_LINKER_FLAGS} ${CMAKE_EXE_LINKER_FLAGS}"
919 CACHE STRING "Linker flags" FORCE)
920 endif (NOT DEFINED GROMACS_C_FLAGS_SET)
922 ######################################
923 # Output compiler and CFLAGS used
924 ######################################
925 execute_process(COMMAND ${CMAKE_C_COMPILER} --version RESULT_VARIABLE TMP_RESULT OUTPUT_VARIABLE CC_VERSION ERROR_VARIABLE CC_VERSION)
926 #try executing just the compiler command if that failed...
928 execute_process(COMMAND ${CMAKE_C_COMPILER} RESULT_VARIABLE TMP_RESULT OUTPUT_VARIABLE CC_VERSION ERROR_VARIABLE CC_VERSION)
930 string(LENGTH "${CC_VERSION}" len)
932 string(REGEX MATCH "[^\n]*" CC_VERSION "${CC_VERSION}")
935 set(BUILD_COMPILER "@CMAKE_C_COMPILER@ @CMAKE_C_COMPILER_ID@ @CC_VERSION@")
936 set(BUILD_CFLAGS "@CMAKE_C_FLAGS@")
937 if(CMAKE_BUILD_TYPE STREQUAL "Debug")
938 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_DEBUG@")
939 elseif(CMAKE_BUILD_TYPE STREQUAL "Release")
940 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_RELEASE@")
941 elseif(CMAKE_BUILD_TYPE STREQUAL "MinSizeRel")
942 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_MINSIZEREL@")
943 elseif(CMAKE_BUILD_TYPE STREQUAL "RelWithDebInfo")
944 set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_RELWITHDEBINFO@")
948 ########################################################################
949 # Specify install locations and which subdirectories to process #
950 ########################################################################
951 if ( DEFINED GMXLIB )
952 set(LIB_INSTALL_DIR "${CMAKE_INSTALL_PREFIX}/${GMXLIB}")
954 set(LIB_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/lib)
956 set(BIN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/bin)
957 set(DATA_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/gromacs)
958 set(MAN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/man)
959 set(INCL_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/include)
961 set(GMXLIBDIR ${DATA_INSTALL_DIR}/top)
963 ##################################################################
964 # Shared library settings - Darwin uses INSTALL_NAME_DIR instead!
965 ##################################################################
966 if(NOT CMAKE_SYSTEM_NAME STREQUAL "Darwin")
967 set(CMAKE_SKIP_BUILD_RPATH FALSE)
968 set(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE)
969 set(CMAKE_INSTALL_RPATH "${LIB_INSTALL_DIR}")
970 set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)
973 add_subdirectory(share)
974 add_subdirectory(include)
975 add_subdirectory(man)
976 add_subdirectory(src)
977 add_subdirectory(scripts)
979 #######################
981 #######################
983 "${CMAKE_CURRENT_SOURCE_DIR}/cmake/cmake_uninstall.cmake.in"
984 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake"
986 ###########################
987 ADD_CUSTOM_TARGET(uninstall
988 "${CMAKE_COMMAND}" -P
989 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake")
990 ###########################
993 ########################################################################
995 ########################################################################
998 mark_as_advanced(BUILD_TESTING)
1001 add_subdirectory(tests)