1 cmake_minimum_required(VERSION 2.6)
5 # PROJECT_VERSION should have the following structure:
6 # VERSION[-dev-SUFFIX] where the VERSION can have any form and the suffix
7 set(PROJECT_VERSION "4.5-beta3"
8 CACHE STRING "Gromacs version string")
10 # Cmake modules/macros are in a subdirectory to keep this file cleaner
11 set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake)
13 if(NOT CMAKE_BUILD_TYPE)
14 set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: Debug Release RelWithDebInfo MinSizeRel." FORCE)
15 endif(NOT CMAKE_BUILD_TYPE)
19 ########################################################################
20 # Fix stupid flags on MSVC
21 ########################################################################
22 IF(CMAKE_GENERATOR MATCHES "Visual Studio")
23 STRING(REPLACE /MD /MT CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE})
24 SET(CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE} CACHE STRING "" FORCE)
25 STRING(REPLACE /MD /MT CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG})
26 SET(CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG} CACHE STRING "" FORCE)
27 ENDIF(CMAKE_GENERATOR MATCHES "Visual Studio")
29 set(GMX_EXTRA_LIBRARIES)
31 ######################################################################
33 # these need ot be done early (before further tests).
34 #####################################################################
36 include(CheckCCompilerFlag)
37 include(CheckCXXCompilerFlag)
42 ########################################################################
43 # User input options #
44 ########################################################################
45 option(GMX_DOUBLE "Use double precision" OFF)
46 option(GMX_MPI "Build a parallel (message-passing) version of GROMACS" OFF)
47 option(GMX_THREADS "Build a parallel (threaded-based) version of GROMACS)" ON)
48 option(GMX_SOFTWARE_INVSQRT "Use GROMACS software 1/sqrt" ON)
49 option(GMX_FAHCORE "Build a library with mdrun functionality" OFF)
50 option(GMX_OPENMM "Accelerated execution on GPUs through the OpenMM library" OFF)
51 set(GMX_ACCELERATION "auto"
52 CACHE STRING "Accelerated kernels. Pick one of: none, SSE, BlueGene, Power6, ia64, altivec")
54 set(GMX_FFT_LIBRARY "fftw3"
55 CACHE STRING "FFT library choices: fftw3,fftw2,mkl,fftpack[built-in]")
56 option(GMX_DISABLE_FFTW_MEASURE
57 "Do not optimize FFTW setups (not needed with SSE)" OFF)
58 set(GMX_QMMM_PROGRAM "none"
59 CACHE STRING "QM package choices: none,gaussian,mopac,gamess,orca")
60 option(GMX_BROKEN_CALLOC "Work around broken calloc()" OFF)
61 option(BUILD_SHARED_LIBS "Enable shared libraries (can be problematic with MPI)" OFF)
62 option(GMX_MPI_IN_PLACE "Enable MPI_IN_PLACE for MPIs that have it defined" ON)
63 option(GMX_DLOPEN "Compile with dlopen, needed to read VMD supported file formats" ON)
64 mark_as_advanced(GMX_MPI_IN_PLACE)
67 option(GMX_IA32_ASM "Add SSE assembly files for IA32" OFF)
68 option(GMX_X86_64_ASM "Add SSE assembly files for X86_64" OFF)
70 option(USE_VERSION_H "Generate development version string/information" ON)
72 set(GMX_BINARY_SUFFIX "" CACHE STRING "Suffix for GROMACS binaries.")
76 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_DOUBLE")
78 if(GMX_SOFTWARE_INVSQRT)
79 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_SOFTWARE_INVSQRT")
80 endif(GMX_SOFTWARE_INVSQRT)
82 ########################################################################
84 ########################################################################
87 There are known problems with some MPI implementations:
88 OpenMPI version < 1.4.1
89 MVAPICH2 version <= 1.4.1 *")
91 #message(FATAL_ERROR "Thread-based parallelization conflicts with MPI.")
92 set(GMX_THREADS OFF CACHE BOOL
93 "Thread-based parallelization conflicts with MPI." FORCE)
97 set(GROMACS_C_FLAGS ${GROMACS_FLAGS} ${MPI_COMPILE_FLAGS})
98 set(GROMACS_LINKER_FLAGS ${GROMACS_LINKER_FLAGS} ${MPI_LINK_FLAGS})
100 include_directories(${MPI_INCLUDE_PATH})
101 list(APPEND GMX_EXTRA_LIBRARIES ${MPI_LIBRARIES})
102 add_definitions( -DMPI ) #for FAHCORE
103 include(gmxTestMPI_IN_PLACE)
104 if (GMX_MPI_IN_PLACE)
105 gmx_test_mpi_in_place(MPI_IN_PLACE_EXISTS)
106 endif (GMX_MPI_IN_PLACE)
108 message(FATAL_ERROR "MPI support requested, but no MPI compiler found.")
110 include(gmxTestCatamount)
111 gmx_test_catamount(GMX_CRAY_XT3)
113 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_CRAY_XT3")
118 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_LIB_MPI")
122 #######################################################################
123 # Check for options incompatible with OpenMM build #
124 #######################################################################
126 cmake_minimum_required(VERSION 2.6.4)
127 # we'll use the built-in fft to avoid unnecessary dependencies
128 set (GMX_FFT_LIBRARY "fftpack")
130 message(FATAL_ERROR "The OpenMM build is not compatible with MPI!")
133 message(STATUS "Threads not compatible with OpenMM build, disabled")
136 if(GMX_SOFTWARE_INVSQRT)
137 set(GMX_SOFTWARE_INVSQRT OFF)
138 endif(GMX_SOFTWARE_INVSQRT)
139 if(NOT GMX_ACCELERATION MATCHES "auto|none|None|NONE" OR NOT ${GMX_ACCELERATION} STREQUAL "")
140 message(WARNING "The OpenMM build does not support other acceleration modes!")
141 set(GMX_ACCELERATION "none")
144 message(FATAL_ERROR "The OpenMM build does not support FAH build!")
149 ########################################################################
150 # Basic system tests (standard libraries, headers, functions, types) #
151 ########################################################################
152 include(CheckIncludeFiles)
153 check_include_files(string.h HAVE_STRING_H)
154 check_include_files(math.h HAVE_MATH_H)
155 check_include_files(limits.h HAVE_LIMITS_H)
156 check_include_files(memory.h HAVE_MEMORY_H)
157 check_include_files(unistd.h HAVE_UNISTD_H)
158 check_include_files(pwd.h HAVE_PWD_H)
159 check_include_files(stdint.h HAVE_STDINT_H)
160 check_include_files(stdlib.h HAVE_STDLIB_H)
161 check_include_files(pthread.h HAVE_PTHREAD_H)
162 check_include_files(dirent.h HAVE_DIRENT_H)
163 check_include_files(inttypes.h HAVE_INTTYPES_H)
164 check_include_files(regex.h HAVE_REGEX_H)
165 check_include_files(sys/types.h HAVE_SYS_TYPES_H)
166 check_include_files(sys/stat.h HAVE_SYS_STAT_H)
167 check_include_files(sys/time.h HAVE_SYS_TIME_H)
168 check_include_files(rpc/rpc.h HAVE_RPC_RPC_H)
169 check_include_files("rpc/rpc.h;rpc/xdr.h" HAVE_RPC_XDR_H)
171 check_include_files(xmmintrin.h HAVE_XMMINTRIN_H)
172 check_include_files(emmintrin.h HAVE_EMMINTRIN_H)
173 check_include_files(pmmintrin.h HAVE_PMMINTRIN_H)
174 check_include_files(smmintrin.h HAVE_SMMINTRIN_H)
175 check_include_files(io.h HAVE_IO_H)
178 include(CheckFunctionExists)
179 check_function_exists(strcasecmp HAVE_STRCASECMP)
180 check_function_exists(strdup HAVE_STRDUP)
181 check_function_exists(vprintf HAVE_VPRINTF)
182 check_function_exists(memcmp HAVE_MEMCMP)
183 check_function_exists(posix_memalign HAVE_POSIX_MEMALIGN)
184 check_function_exists(memalign HAVE_MEMALIGN)
185 check_function_exists(_aligned_malloc HAVE__ALIGNED_MALLOC)
186 check_function_exists(gettimeofday HAVE_GETTIMEOFDAY)
187 check_function_exists(isnan HAVE_ISNAN)
188 check_function_exists(_isnan HAVE__ISNAN)
189 check_function_exists(isfinite HAVE_ISFINITE)
190 check_function_exists(_isfinite HAVE__ISFINITE)
191 check_function_exists(fsync HAVE_FSYNC)
192 check_function_exists(_fileno HAVE__FILENO)
193 check_function_exists(fileno HAVE_FILENO)
194 check_function_exists(_commit HAVE__COMMIT)
196 include(CheckLibraryExists)
197 check_library_exists(m sqrt "" HAVE_LIBM)
198 check_library_exists(m cbrt "" HAVE_CBRT)
201 include(CheckTypeSize)
203 check_type_size("bool" SIZEOF_BOOL) # will also set HAVE_BOOL
204 check_type_size("int" SIZEOF_INT)
205 check_type_size("long int" SIZEOF_LONG_INT)
206 check_type_size("long long int" SIZEOF_LONG_LONG_INT)
207 check_type_size("off_t" SIZEOF_OFF_T)
208 check_type_size("void *" SIZEOF_VOIDP)
210 if (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
212 else (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
213 set(GMX_64_BIT FALSE)
214 endif (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
216 # Check for some basic types that we *need*, so set these to int if they are not present
217 check_type_size(uid_t uid_t)
224 check_type_size(gid_t gid_t)
231 check_type_size(size_t size_t)
238 check_type_size(off_t off_t)
245 include(TestBigEndian)
246 test_big_endian(GMX_INTEGER_BIG_ENDIAN)
251 ########################################################################
252 # Find external packages #
253 ########################################################################
255 find_package(LibXml2)
258 include_directories(${LIBXML2_INCLUDE_DIR})
259 set(PKG_XML libxml-2.0)
260 set(XML_LIBRARIES ${LIBXML2_LIBRARIES})
265 # X11 includes/libraries are only set in the ngmx subdirectory!
271 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_THREADS")
273 set(THREAD_MPI_LIB thread_mpi)
275 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
276 if(${GMX_FFT_LIBRARY} STREQUAL "FFTW2")
277 message(FATAL_ERROR "FFTW2 can't be used with threads. Try fftw3 or mkl.")
282 set(CUDA_BUILD_EMULATION OFF)
283 find_package(CUDA 3.1 REQUIRED)
284 add_definitions(-DGMX_OPENMM)
285 if(CMAKE_BUILD_TYPE STREQUAL "DEBUG")
286 set(CUDA_VERBOSE_BUILD ON)
292 find_library(ACCELERATE_FRAMEWORK Accelerate)
293 list(APPEND GMX_EXTRA_LIBRARIES ${ACCELERATE_FRAMEWORK})
296 # only bother with finding git and using version.h if the source is a git repo
297 if(EXISTS "${CMAKE_SOURCE_DIR}/.git")
299 # We need at least git v1.5.1 be able to parse git's date output. If not
300 # fund or the version is too small, we can't generate version information.
301 find_package(Git 1.5.1)
302 # this should at some point become VERSION_LESS
303 if(NOT Git_FOUND OR Git_VERSION STRLESS "1.5.1")
304 message("No compatible git version found, won't be able to generate proper development version information.")
308 set(USE_VERSION_H OFF)
312 list(APPEND GMX_EXTRA_LIBRARIES ${CMAKE_DL_LIBS})
315 ########################################################################
316 # Generate development version info for cache
317 ########################################################################
318 # set(GEN_VERSION_INFO_INTERNAL "ON")
319 # include(gmxGenerateVersionString)
321 ########################################################################
322 # Our own GROMACS tests
323 ########################################################################
325 add_definitions( -DHAVE_CONFIG_H )
326 include_directories(${CMAKE_BINARY_DIR}/src)
327 include_directories(${CMAKE_SOURCE_DIR}/include)
329 include(gmxCheckBuildUserTime)
330 gmx_check_build_user_time(BUILD_TIME BUILD_USER BUILD_MACHINE)
332 include(gmxTestFloatFormat)
333 gmx_test_float_format(GMX_FLOAT_FORMAT_IEEE754
334 GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
335 GMX_IEEE754_BIG_ENDIAN_WORD_ORDER)
337 include(gmxTestLargeFiles)
338 gmx_test_large_files(GMX_LARGEFILES)
339 check_function_exists(fseeko HAVE_FSEEKO)
341 include(gmxTestSignal)
342 gmx_test_retsigtype(RETSIGTYPE)
344 include(gmxTestInline)
345 gmx_test_inline(INLINE_KEYWORD)
347 include(gmxTestRestrict)
348 gmx_test_inline(RESTRICT_KEYWORD)
350 include(gmxTestPipes)
351 gmx_test_pipes(HAVE_PIPES)
353 include(gmxTestInlineASM)
354 gmx_test_inline_asm_gcc_x86(GMX_X86_GCC_INLINE_ASM)
355 gmx_test_inline_asm_msvc_x86(GMX_X86_MSVC_INLINE_ASM)
357 # turn on SSE if supported with reasonable defaults.
358 if (${GMX_ACCELERATION} STREQUAL "auto")
359 if(CMAKE_SYSTEM_PROCESSOR MATCHES "^(i.86|x86|x64|x86_64|AMD64|amd64)")
361 set(GMX_ACCELERATION "SSE" CACHE STRING "Accelerated kernels. Pick one of: none, SSE, BlueGene, Power6, ia64, altivec" FORCE)
364 set(GMX_X86_64_ASM ON CACHE BOOL "Add SSE assembly files for x86_64" FORCE)
366 set(GMX_IA32_ASM ON CACHE BOOL "Add SSE assembly files for i386" FORCE)
369 # Determine the assembler/compiler to use
371 set(GMX_ACCELERATION "none" CACHE STRING "Accelerated kernels. Pick one of: none, SSE, BlueGene, Power6, ia64, altivec" FORCE)
373 endif (${GMX_ACCELERATION} STREQUAL "auto")
377 gmx_test_xdr(GMX_SYSTEM_XDR)
378 if(NOT GMX_SYSTEM_XDR)
379 set(GMX_INTERNAL_XDR 1)
380 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_INTERNAL_XDR")
381 endif(NOT GMX_SYSTEM_XDR)
383 if(GMX_FORTRAN OR GMX_POWER6)
384 enable_language(Fortran)
385 include(FortranCInterface)
386 discover_fortran_mangling(prefix isupper suffix extra_under_score found)
387 if(extra_under_score)
389 endif(extra_under_score)
392 set(F77_FUNCDEF "${prefix} ## NAME ## ${suffix}")
393 set(F77_FUNCDEF_ "${prefix} ## NAME ## ${suffix}${extrasuffix}")
395 set(F77_FUNCDEF "${prefix} ## name ## ${suffix}")
396 set(F77_FUNCDEF_ "${prefix} ## name ## ${suffix}${extrasuffix}")
398 else(GMX_FORTRAN OR GMX_POWER6)
399 set(F77_FUNCDEF "name ## _")
400 set(F77_FUNCDEF_ "name ## _")
401 endif(GMX_FORTRAN OR GMX_POWER6)
404 # Process nonbonded accelerated kernels settings
405 string(TOUPPER ${GMX_ACCELERATION} ${GMX_ACCELERATION})
406 if(${GMX_ACCELERATION} STREQUAL "NONE")
408 elseif(${GMX_ACCELERATION} STREQUAL "SSE")
410 if(CMAKE_GENERATOR MATCHES "Visual Studio")
411 option(GMX_ASM_USEASM-NASM "Use Nasm for assembly instead of compiler (necessary on windows)" ON)
412 else(CMAKE_GENERATOR MATCHES "Visual Studio")
413 option(GMX_ASM_USEASM-NASM "Use Nasm for assembly instead of compiler (necessary on windows)" OFF)
414 endif(CMAKE_GENERATOR MATCHES "Visual Studio")
416 # for 32-bit compiles, we might need to turn on sse
417 CHECK_C_COMPILER_FLAG("-msse2" XFLAGS_SSE)
419 set(GROMACS_C_FLAGS "-msse2 ${GROMACS_C_FLAGS}")
421 CHECK_CXX_COMPILER_FLAG("-msse2" XXFLAGS_SSE)
423 set(GROMACS_CXX_FLAGS "-msse2 ${GROMACS_CXX_FLAGS}")
425 endif (NOT GMX_64_BIT)
433 elseif(GMX_X86_64_ASM)
435 set(GMX_X86_64_SSE2 1)
437 set(GMX_X86_64_SSE 1)
441 # if(HAVE_PMMINTRIN_H)
443 # endif(HAVE_PMMINTRIN_H)
444 # if(HAVE_SMMINTRIN_H)
446 # endif(HAVE_SMMINTRIN_H)
448 elseif(${GMX_ACCELERATION} STREQUAL "FORTRAN")
450 elseif(${GMX_ACCELERATION} STREQUAL "BLUEGENE")
452 elseif(${GMX_ACCELERATION} STREQUAL "POWER6")
454 elseif(${GMX_ACCELERATION} STREQUAL "IA64")
456 set(DISABLE_WATERWATER_NLIST 1)
457 set(DISABLE_WATER_NLIST 1)
458 elseif(${GMX_ACCELERATION} STREQUAL "ALTIVEC")
459 check_include_files(altivec.h HAVE_ALTIVEC_H)
461 set(GMX_PPC_ALTIVEC 1)
462 endif(HAVE_ALTIVEC_H)
463 else(${GMX_ACCELERATION} STREQUAL "NONE")
464 MESSAGE(FATAL_ERROR "Unrecognized option for accelerated kernels: ${GMX_ACCELERATION}. Pick one of none, SSE, Fortran, BlueGene, Power6, ia64, altivec")
465 endif(${GMX_ACCELERATION} STREQUAL "NONE")
473 # Process QM/MM Settings
474 string(TOUPPER ${GMX_QMMM_PROGRAM} ${GMX_QMMM_PROGRAM})
475 if(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
476 set(GMX_QMMM_GAUSSIAN 1)
477 elseif(${GMX_QMMM_PROGRAM} STREQUAL "MOPAC")
478 set(GMX_QMMM_MOPAC 1)
479 elseif(${GMX_QMMM_PROGRAM} STREQUAL "GAMESS")
480 set(GMX_QMMM_GAMESS 1)
481 elseif(${GMX_QMMM_PROGRAM} STREQUAL "ORCA")
483 elseif(${GMX_QMMM_PROGRAM} STREQUAL "NONE")
485 else(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
486 MESSAGE(FATAL_ERROR "Invalid QM/MM program option: ${GMX_QMMM_PROGRAM}. Choose one of: Gaussian, Mopac, Gamess, Orca, None")
487 endif(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
489 # Process FFT library settings - if not OpenMM build
490 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
493 if(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
494 # MESSAGE(STATUS "Using external FFT library - fftw3")
496 find_package(FFTW3 REQUIRED)
497 include_directories(${FFTW3_INCLUDE_DIR})
498 set(FFT_LIBRARIES ${FFTW3_LIBRARIES})
501 find_package(FFTW3F REQUIRED)
502 include_directories(${FFTW3F_INCLUDE_DIR})
503 set(FFT_LIBRARIES ${FFTW3F_LIBRARIES})
504 set(PKG_FFT "fftw3f")
507 if(NOT FFTW3_FOUND AND NOT FFTW3F_FOUND)
508 MESSAGE(FATAL_ERROR "Cannot find fftw3 (with correct precision). Fix it, choose another FFT library, or use the Gromacs built-in fftpack (slower)!")
509 endif(NOT FFTW3_FOUND AND NOT FFTW3F_FOUND)
513 elseif(${GMX_FFT_LIBRARY} STREQUAL "FFTW2")
514 # MESSAGE(STATUS "Using external FFT library - fftw2")
516 find_package(FFTW2 REQUIRED)
518 find_package(FFTW2F REQUIRED)
522 MESSAGE(FATAL_ERROR "Cannot find fftw2 (with correct precision). Fix it, choose another FFT library, or use the Gromacs built-in fftpack (slower)!")
523 endif(NOT FFTW2_FOUND)
524 include_directories(${FFTW2_INCLUDE_DIR})
525 set(FFT_LIBRARIES ${FFTW2_LIBRARIES})
526 set(PKG_FFT_LIBS ${FFTW2_LIBRARIES})
528 if("${FFTW2_LIBRARIES}" MATCHES "dfftw")
529 set(FFTW2_NAME_DFFTW 1)
530 elseif("${FFTW2_LIBRARIES}" MATCHES "sfftw")
531 set(FFTW2_NAME_SFFTW 1)
532 else("${FFTW2_LIBRARIES}" MATCHES "dfftw")
533 set(FFTW2_NAME_FFTW 1)
534 endif("${FFTW2_LIBRARIES}" MATCHES "dfftw")
537 elseif(${GMX_FFT_LIBRARY} STREQUAL "MKL")
538 # MESSAGE(STATUS "Using external FFT library - Intel MKL")
539 find_package(MKL REQUIRED)
540 include_directories(${MKL_INCLUDE_DIR})
541 set(FFT_LIBRARIES ${MKL_LIBRARIES})
542 set(PKG_FFT_LIBS ${MKL_LIBRARIES})
547 #elseif(${GMX_FFT_LIBRARY} STREQUAL "ACML")
548 # MESSAGE(STATUS "Using external FFT library - AMD core math library")
549 # set(GMX_FFT_ACML 1)
550 elseif(${GMX_FFT_LIBRARY} STREQUAL "FFTPACK")
551 MESSAGE(STATUS "Using internal FFT library - fftpack")
552 set(GMX_FFT_FFTPACK 1)
553 else(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
554 MESSAGE(FATAL_ERROR "Invalid FFT library setting: ${GMX_FFT_LIBRARY}. Choose one of: fftw3, fftw2, mkl, acml, fftpack")
555 endif(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
557 # MKL has BLAS/LAPACK routines
558 if(HAVE_MKL OR ACCELERATE_FRAMEWORK)
559 set(GMX_EXTERNAL_BLAS TRUE CACHE BOOL "Use external BLAS instead of built-in")
560 set(GMX_EXTERNAL_LAPACK TRUE CACHE BOOL "Use external LAPACK instead of built-in")
561 else(HAVE_MKL OR ACCELERATE_FRAMEWORK)
562 set(GMX_EXTERNAL_BLAS FALSE CACHE BOOL "Use external LAPACK instead of built-in")
563 set(GMX_EXTERNAL_LAPACK FALSE CACHE BOOL "Use external LAPACK instead of built-in")
564 endif(HAVE_MKL OR ACCELERATE_FRAMEWORK)
566 # Math and thread libraries must often come after all others when linking...
568 list(APPEND GMX_EXTRA_LIBRARIES m)
574 set(COREWRAP_INCLUDE_DIR "${CMAKE_SOURCE_DIR}/../corewrap" CACHE STRING
575 "Path to swindirect.h")
576 include_directories(${COREWRAP_INCLUDE_DIR})
579 # # # # # # # # # # NO MORE TESTS AFTER THIS LINE! # # # # # # # # # # #
580 # these are set after everything else
581 if (NOT DEFINED GROMACS_C_FLAGS_SET)
582 set(GROMACS_C_FLAGS_SET true CACHE INTERNAL "Whether to reset the C flags"
584 set(CMAKE_C_FLAGS "${GROMACS_C_FLAGS} ${CMAKE_C_FLAGS}" CACHE STRING
585 "Flags used by the compiler during all build types" FORCE)
586 set(CMAKE_CXX_FLAGS "${GROMACS_CXX_FLAGS} ${CMAKE_CXX_FLAGS}" CACHE STRING
587 "Flags used by the compiler during all build types" FORCE)
588 set(CMAKE_EXE_LINKER_FLAGS
589 "${GROMACS_LINKER_FLAGS} ${CMAKE_EXE_LINKER_FLAGS}"
590 CACHE STRING "Linker flags" FORCE)
591 endif (NOT DEFINED GROMACS_C_FLAGS_SET)
593 ########################################################################
594 # Specify install locations and which subdirectories to process #
595 ########################################################################
596 set(LIB_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/lib)
597 set(BIN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/bin)
598 set(DATA_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/gromacs)
599 set(MAN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/man)
600 set(INCL_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/include)
602 set(GMXLIBDIR ${DATA_INSTALL_DIR}/top)
605 add_subdirectory(share)
606 add_subdirectory(include)
607 add_subdirectory(man)
608 add_subdirectory(src)
609 add_subdirectory(scripts)
611 #######################
613 #######################
615 "${CMAKE_CURRENT_SOURCE_DIR}/cmake/cmake_uninstall.cmake.in"
616 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake"
618 ###########################
619 ADD_CUSTOM_TARGET(uninstall
620 "${CMAKE_COMMAND}" -P
621 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake")
622 ###########################
625 ########################################################################
627 ########################################################################
630 add_test(TestBuildAll make)
632 add_subdirectory(tests)