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)
71 # --- REMOVED as bugzilla 431 turned out to be a bug in GB
72 # and there is no confirmed case in which gcc causes a crash
73 # option(GMX_DISABLE_GCC41_CHECK "Disable check for (buggy) gcc 4.1.x" OFF)
75 set(GMX_BINARY_SUFFIX "" CACHE STRING "Suffix for GROMACS binaries.")
79 ########################################################################
81 ########################################################################
84 #message(FATAL_ERROR "Thread-based parallelization conflicts with MPI.")
85 set(GMX_THREADS OFF CACHE BOOL
86 "Thread-based parallelization conflicts with MPI." FORCE)
90 set(GROMACS_C_FLAGS ${GROMACS_FLAGS} ${MPI_COMPILE_FLAGS})
91 set(GROMACS_LINKER_FLAGS ${GROMACS_LINKER_FLAGS} ${MPI_LINK_FLAGS})
93 include_directories(${MPI_INCLUDE_PATH})
94 list(APPEND GMX_EXTRA_LIBRARIES ${MPI_LIBRARIES})
95 add_definitions( -DMPI ) #for FAHCORE
96 include(gmxTestMPI_IN_PLACE)
98 gmx_test_mpi_in_place(MPI_IN_PLACE_EXISTS)
99 endif (GMX_MPI_IN_PLACE)
101 message(FATAL_ERROR "MPI support requested, but no MPI compiler found.")
103 include(gmxTestCatamount)
104 gmx_test_catamount(GMX_CRAY_XT3)
113 #######################################################################
114 # Check for options incompatible with OpenMM build #
115 #######################################################################
117 cmake_minimum_required(VERSION 2.6.4)
118 # we'll use the built-in fft to avoid unnecessary dependencies
119 set (GMX_FFT_LIBRARY "fftpack")
121 message(FATAL_ERROR "The OpenMM build is not compatible with MPI!")
124 message(STATUS "Threads not compatible with OpenMM build, disabled")
127 if(GMX_SOFTWARE_INVSQRT)
128 set(GMX_SOFTWARE_INVSQRT OFF)
129 endif(GMX_SOFTWARE_INVSQRT)
130 if(NOT GMX_ACCELERATION MATCHES "auto|none|None|NONE" OR NOT ${GMX_ACCELERATION} STREQUAL "")
131 message(WARNING "The OpenMM build does not support other acceleration modes!")
132 set(GMX_ACCELERATION "none")
135 message(FATAL_ERROR "The OpenMM build does not support FAH build!")
141 ########################################################################
142 # Basic system tests (standard libraries, headers, functions, types) #
143 ########################################################################
144 include(CheckIncludeFiles)
145 check_include_files(string.h HAVE_STRING_H)
146 check_include_files(math.h HAVE_MATH_H)
147 check_include_files(limits.h HAVE_LIMITS_H)
148 check_include_files(memory.h HAVE_MEMORY_H)
149 check_include_files(unistd.h HAVE_UNISTD_H)
150 check_include_files(pwd.h HAVE_PWD_H)
151 check_include_files(stdint.h HAVE_STDINT_H)
152 check_include_files(stdlib.h HAVE_STDLIB_H)
153 check_include_files(pthread.h HAVE_PTHREAD_H)
154 check_include_files(dirent.h HAVE_DIRENT_H)
155 check_include_files(inttypes.h HAVE_INTTYPES_H)
156 check_include_files(regex.h HAVE_REGEX_H)
157 check_include_files(copyfile.h HAVE_COPYFILE_H)
158 check_include_files(sys/types.h HAVE_SYS_TYPES_H)
159 check_include_files(sys/stat.h HAVE_SYS_STAT_H)
160 check_include_files(sys/time.h HAVE_SYS_TIME_H)
161 check_include_files(rpc/rpc.h HAVE_RPC_RPC_H)
162 check_include_files("rpc/rpc.h;rpc/xdr.h" HAVE_RPC_XDR_H)
164 check_include_files(xmmintrin.h HAVE_XMMINTRIN_H)
165 check_include_files(emmintrin.h HAVE_EMMINTRIN_H)
166 check_include_files(pmmintrin.h HAVE_PMMINTRIN_H)
167 check_include_files(smmintrin.h HAVE_SMMINTRIN_H)
168 check_include_files(io.h HAVE_IO_H)
171 include(CheckFunctionExists)
172 check_function_exists(strcasecmp HAVE_STRCASECMP)
173 check_function_exists(strdup HAVE_STRDUP)
174 check_function_exists(vprintf HAVE_VPRINTF)
175 check_function_exists(memcmp HAVE_MEMCMP)
176 check_function_exists(posix_memalign HAVE_POSIX_MEMALIGN)
177 check_function_exists(memalign HAVE_MEMALIGN)
178 check_function_exists(_aligned_malloc HAVE__ALIGNED_MALLOC)
179 check_function_exists(gettimeofday HAVE_GETTIMEOFDAY)
180 check_function_exists(isnan HAVE_ISNAN)
181 check_function_exists(_isnan HAVE__ISNAN)
182 check_function_exists(isfinite HAVE_ISFINITE)
183 check_function_exists(_isfinite HAVE__ISFINITE)
184 check_function_exists(fsync HAVE_FSYNC)
185 check_function_exists(_fileno HAVE__FILENO)
186 check_function_exists(fileno HAVE_FILENO)
187 check_function_exists(_commit HAVE__COMMIT)
188 check_function_exists(copyfile HAVE_COPYFILE)
189 # check_function_exists(CopyFile HAVE_WIN_COPYFILE)
190 # After large files? check_function_exists(fseeko HAVE_FSEEKO)
192 include(CheckLibraryExists)
193 check_library_exists(m sqrt "" HAVE_LIBM)
194 check_library_exists(m cbrt "" HAVE_CBRT)
196 include(CheckTypeSize)
197 set(CMAKE_REQUIRED_FLAGS ${CMAKE_C_FLAGS_RELEASE})
199 check_type_size("bool" SIZEOF_BOOL) # will also set HAVE_BOOL
200 check_type_size("int" SIZEOF_INT)
201 check_type_size("long int" SIZEOF_LONG_INT)
202 check_type_size("long long int" SIZEOF_LONG_LONG_INT)
203 check_type_size("off_t" SIZEOF_OFF_T)
204 check_type_size("void *" SIZEOF_VOIDP)
206 if (SIZEOF_VOIDP LESS 8)
207 set(GMX_64_BIT FALSE)
208 else (SIZEOF_VOIDP LESS 8)
210 endif (SIZEOF_VOIDP LESS 8)
212 # Check for some basic types that we *need*, so set these to int if they are not present
213 check_type_size(uid_t uid_t)
220 check_type_size(gid_t gid_t)
227 check_type_size(size_t size_t)
234 check_type_size(off_t off_t)
241 include(TestBigEndian)
242 test_big_endian(GMX_INTEGER_BIG_ENDIAN)
247 ########################################################################
248 # Find external packages #
249 ########################################################################
251 find_package(LibXml2)
254 include_directories(${LIBXML2_INCLUDE_DIR})
255 set(PKG_XML libxml-2.0)
256 set(XML_LIBRARIES ${LIBXML2_LIBRARIES})
261 # X11 includes/libraries are only set in the ngmx subdirectory!
268 set(THREAD_MPI_LIB thread_mpi)
270 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
271 if(${GMX_FFT_LIBRARY} STREQUAL "FFTW2")
272 message(FATAL_ERROR "FFTW2 can't be used with threads. Try fftw3 or mkl.")
277 set(CUDA_BUILD_EMULATION OFF)
278 find_package(CUDA 3.1 REQUIRED)
279 add_definitions(-DGMX_OPENMM)
280 if(CMAKE_BUILD_TYPE STREQUAL "DEBUG")
281 set(CUDA_VERBOSE_BUILD ON)
287 find_library(ACCELERATE_FRAMEWORK Accelerate)
288 list(APPEND GMX_EXTRA_LIBRARIES ${ACCELERATE_FRAMEWORK})
291 # only bother with finding git and using version.h if the source is a git repo
292 if(EXISTS "${CMAKE_SOURCE_DIR}/.git")
294 # We need at least git v1.5.1 be able to parse git's date output. If not
295 # fund or the version is too small, we can't generate version information.
296 find_package(Git 1.5.1)
297 # this should at some point become VERSION_LESS
298 if(NOT Git_FOUND OR Git_VERSION STRLESS "1.5.1")
299 message("No compatible git version found, won't be able to generate proper development version information.")
303 set(USE_VERSION_H OFF)
307 list(APPEND GMX_EXTRA_LIBRARIES ${CMAKE_DL_LIBS})
310 ########################################################################
311 # Generate development version info for cache
312 ########################################################################
313 # set(GEN_VERSION_INFO_INTERNAL "ON")
314 # include(gmxGenerateVersionString)
316 ########################################################################
317 # Our own GROMACS tests
318 ########################################################################
320 add_definitions( -DHAVE_CONFIG_H )
321 include_directories(${CMAKE_BINARY_DIR}/src)
322 include_directories(${CMAKE_SOURCE_DIR}/include)
324 include(gmxCheckBuildUserTime)
325 gmx_check_build_user_time(BUILD_TIME BUILD_USER BUILD_MACHINE)
327 include(gmxTestFloatFormat)
328 gmx_test_float_format(GMX_FLOAT_FORMAT_IEEE754
329 GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
330 GMX_IEEE754_BIG_ENDIAN_WORD_ORDER)
332 include(gmxTestLargeFiles)
333 gmx_test_large_files(GMX_LARGEFILES)
335 include(gmxTestSignal)
336 gmx_test_retsigtype(RETSIGTYPE)
338 include(gmxTestInline)
339 gmx_test_inline(INLINE_KEYWORD)
341 include(gmxTestRestrict)
342 gmx_test_inline(RESTRICT_KEYWORD)
344 include(gmxTestPipes)
345 gmx_test_pipes(HAVE_PIPES)
347 include(gmxTestInlineASM)
348 gmx_test_inline_asm_gcc_x86(GMX_X86_GCC_INLINE_ASM)
349 gmx_test_inline_asm_msvc_x86(GMX_X86_MSVC_INLINE_ASM)
351 # turn on SSE if supported with reasonable defaults.
352 if (${GMX_ACCELERATION} STREQUAL "auto")
353 if (GMX_X86_GCC_INLINE_ASM)
354 set(GMX_ACCELERATION "SSE" CACHE STRING "Accelerated kernels. Pick one of: none, SSE, BlueGene, Power6, ia64, altivec" FORCE)
356 set(GMX_X86_64_ASM ON CACHE BOOL
357 "Add SSE assembly files for x86_64" FORCE)
359 set(GMX_IA32_ASM ON CACHE BOOL
360 "Add SSE assembly files for IA32" FORCE)
362 else(GMX_X86_GCC_INLINE_ASM)
363 set(GMX_ACCELERATION "none" CACHE STRING "Accelerated kernels. Pick one of: none, SSE, BlueGene, Power6, ia64, altivec" FORCE)
364 endif (GMX_X86_GCC_INLINE_ASM)
365 endif (${GMX_ACCELERATION} STREQUAL "auto")
371 gmx_test_xdr(GMX_SYSTEM_XDR)
372 if(NOT GMX_SYSTEM_XDR)
373 set(GMX_INTERNAL_XDR 1)
374 endif(NOT GMX_SYSTEM_XDR)
376 if(GMX_FORTRAN OR GMX_POWER6)
377 enable_language(Fortran)
378 include(FortranCInterface)
379 discover_fortran_mangling(prefix isupper suffix extra_under_score found)
380 if(extra_under_score)
382 endif(extra_under_score)
385 set(F77_FUNCDEF "${prefix} ## NAME ## ${suffix}")
386 set(F77_FUNCDEF_ "${prefix} ## NAME ## ${suffix}${extrasuffix}")
388 set(F77_FUNCDEF "${prefix} ## name ## ${suffix}")
389 set(F77_FUNCDEF_ "${prefix} ## name ## ${suffix}${extrasuffix}")
391 else(GMX_FORTRAN OR GMX_POWER6)
392 set(F77_FUNCDEF "name ## _")
393 set(F77_FUNCDEF_ "name ## _")
394 endif(GMX_FORTRAN OR GMX_POWER6)
397 # Process nonbonded accelerated kernels settings
398 option(GMX_ASM_USECCOMPILER "Use C compiler for assembly" ON)
399 string(TOUPPER ${GMX_ACCELERATION} ${GMX_ACCELERATION})
400 if(${GMX_ACCELERATION} STREQUAL "NONE")
402 elseif(${GMX_ACCELERATION} STREQUAL "SSE")
403 if(CMAKE_GENERATOR MATCHES "Visual Studio")
404 option(GMX_ASM_USEASM-NASM "Use the Nasm assembler (windows)" ON)
405 else(CMAKE_GENERATOR MATCHES "Visual Studio")
406 option(GMX_ASM_USEASM-NASM "Use the Nasm assembler (windows)" OFF)
407 endif(CMAKE_GENERATOR MATCHES "Visual Studio")
409 # for 32-bit compiles, we might need to turn on sse
410 CHECK_C_COMPILER_FLAG("-msse2" XFLAGS_SSE)
412 set(GROMACS_C_FLAGS "-msse2 ${GROMACS_C_FLAGS}")
414 CHECK_CXX_COMPILER_FLAG("-msse2" XXFLAGS_SSE)
416 set(GROMACS_CXX_FLAGS "-msse2 ${GROMACS_CXX_FLAGS}")
418 endif (NOT GMX_64_BIT)
429 endif(HAVE_XMMINTRIN_H)
433 set(GMX_X86_64_SSE2 1)
435 set(GMX_X86_64_SSE 1)
440 endif(NOT GMX_IA32_ASM)
441 endif(GMX_X86_64_ASM)
442 endif(HAVE_EMMINTRIN_H)
443 # if(HAVE_PMMINTRIN_H)
445 # endif(HAVE_PMMINTRIN_H)
446 # if(HAVE_SMMINTRIN_H)
448 # endif(HAVE_SMMINTRIN_H)
450 elseif(${GMX_ACCELERATION} STREQUAL "FORTRAN")
452 elseif(${GMX_ACCELERATION} STREQUAL "BLUEGENE")
454 elseif(${GMX_ACCELERATION} STREQUAL "POWER6")
456 elseif(${GMX_ACCELERATION} STREQUAL "IA64")
458 set(DISABLE_WATERWATER_NLIST 1)
459 set(DISABLE_WATER_NLIST 1)
460 elseif(${GMX_ACCELERATION} STREQUAL "ALTIVEC")
461 check_include_files(altivec.h HAVE_ALTIVEC_H)
463 set(GMX_PPC_ALTIVEC 1)
464 endif(HAVE_ALTIVEC_H)
465 else(${GMX_ACCELERATION} STREQUAL "NONE")
466 MESSAGE(FATAL_ERROR "Unrecognized option for accelerated kernels: ${GMX_ACCELERATION}. Pick one of none, SSE, Fortran, BlueGene, Power6, ia64, altivec")
467 endif(${GMX_ACCELERATION} STREQUAL "NONE")
475 # Process QM/MM Settings
476 string(TOUPPER ${GMX_QMMM_PROGRAM} ${GMX_QMMM_PROGRAM})
477 if(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
478 set(GMX_QMMM_GAUSSIAN 1)
479 elseif(${GMX_QMMM_PROGRAM} STREQUAL "MOPAC")
480 set(GMX_QMMM_MOPAC 1)
481 elseif(${GMX_QMMM_PROGRAM} STREQUAL "GAMESS")
482 set(GMX_QMMM_GAMESS 1)
483 elseif(${GMX_QMMM_PROGRAM} STREQUAL "ORCA")
485 elseif(${GMX_QMMM_PROGRAM} STREQUAL "NONE")
487 else(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
488 MESSAGE(FATAL_ERROR "Invalid QM/MM program option: ${GMX_QMMM_PROGRAM}. Choose one of: Gaussian, Mopac, Gamess, Orca, None")
489 endif(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
491 # Process FFT library settings - if not OpenMM build
492 string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
495 if(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
496 # MESSAGE(STATUS "Using external FFT library - fftw3")
498 find_package(FFTW3 REQUIRED)
499 include_directories(${FFTW3_INCLUDE_DIR})
500 set(FFT_LIBRARIES ${FFTW3_LIBRARIES})
503 find_package(FFTW3F REQUIRED)
504 include_directories(${FFTW3F_INCLUDE_DIR})
505 set(FFT_LIBRARIES ${FFTW3F_LIBRARIES})
506 set(PKG_FFT "fftw3f")
509 if(NOT FFTW3_FOUND AND NOT FFTW3F_FOUND)
510 MESSAGE(FATAL_ERROR "Cannot find fftw3 (with correct precision). Fix it, choose another FFT library, or use the Gromacs built-in fftpack (slower)!")
511 endif(NOT FFTW3_FOUND AND NOT FFTW3F_FOUND)
515 include_directories(${FFTW3_INCLUDE_DIR})
516 set(FFT_LIBRARIES ${FFTW3_LIBRARIES})
518 elseif(${GMX_FFT_LIBRARY} STREQUAL "FFTW2")
519 # MESSAGE(STATUS "Using external FFT library - fftw2")
521 find_package(FFTW2 REQUIRED)
523 find_package(FFTW2F REQUIRED)
527 MESSAGE(FATAL_ERROR "Cannot find fftw2 (with correct precision). Fix it, choose another FFT library, or use the Gromacs built-in fftpack (slower)!")
528 endif(NOT FFTW2_FOUND)
529 include_directories(${FFTW2_INCLUDE_DIR})
530 set(FFT_LIBRARIES ${FFTW2_LIBRARIES})
531 set(PKG_FFT_LIBS ${FFTW2_LIBRARIES})
533 if("${FFTW2_LIBRARIES}" MATCHES "dfftw")
534 set(FFTW2_NAME_DFFTW 1)
535 elseif("${FFTW2_LIBRARIES}" MATCHES "sfftw")
536 set(FFTW2_NAME_SFFTW 1)
537 else("${FFTW2_LIBRARIES}" MATCHES "dfftw")
538 set(FFTW2_NAME_FFTW 1)
539 endif("${FFTW2_LIBRARIES}" MATCHES "dfftw")
542 elseif(${GMX_FFT_LIBRARY} STREQUAL "MKL")
543 # MESSAGE(STATUS "Using external FFT library - Intel MKL")
544 find_package(MKL REQUIRED)
545 include_directories(${MKL_INCLUDE_DIR})
546 set(FFT_LIBRARIES ${MKL_LIBRARIES})
547 set(PKG_FFT_LIBS ${MKL_LIBRARIES})
552 #elseif(${GMX_FFT_LIBRARY} STREQUAL "ACML")
553 # MESSAGE(STATUS "Using external FFT library - AMD core math library")
554 # set(GMX_FFT_ACML 1)
555 elseif(${GMX_FFT_LIBRARY} STREQUAL "FFTPACK")
556 MESSAGE(STATUS "Using internal FFT library - fftpack")
557 set(GMX_FFT_FFTPACK 1)
558 else(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
559 MESSAGE(FATAL_ERROR "Invalid FFT library setting: ${GMX_FFT_LIBRARY}. Choose one of: fftw3, fftw2, mkl, acml, fftpack")
560 endif(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
562 # MKL has BLAS/LAPACK routines
563 if(HAVE_MKL OR ACCELERATE_FRAMEWORK)
564 set(GMX_EXTERNAL_BLAS TRUE CACHE BOOL "Use external BLAS instead of built-in")
565 set(GMX_EXTERNAL_LAPACK TRUE CACHE BOOL "Use external LAPACK instead of built-in")
566 else(HAVE_MKL OR ACCELERATE_FRAMEWORK)
567 set(GMX_EXTERNAL_BLAS FALSE CACHE BOOL "Use external LAPACK instead of built-in")
568 set(GMX_EXTERNAL_LAPACK FALSE CACHE BOOL "Use external LAPACK instead of built-in")
569 endif(HAVE_MKL OR ACCELERATE_FRAMEWORK)
571 # Math and thread libraries must often come after all others when linking...
573 list(APPEND GMX_EXTRA_LIBRARIES m)
579 set(COREWRAP_INCLUDE_DIR "${CMAKE_SOURCE_DIR}/../corewrap" CACHE STRING
580 "Path to swindirect.h")
581 include_directories(${COREWRAP_INCLUDE_DIR})
584 # # # # # # # # # # NO MORE TESTS AFTER THIS LINE! # # # # # # # # # # #
585 # these are set after everything else
586 if (NOT DEFINED GROMACS_C_FLAGS_SET)
587 set(GROMACS_C_FLAGS_SET true CACHE INTERNAL "Whether to reset the C flags"
589 set(CMAKE_C_FLAGS "${GROMACS_C_FLAGS} ${CMAKE_C_FLAGS}" CACHE STRING
590 "Flags used by the compiler during all build types" FORCE)
591 set(CMAKE_CXX_FLAGS "${GROMACS_CXX_FLAGS} ${CMAKE_CXX_FLAGS}" CACHE STRING
592 "Flags used by the compiler during all build types" FORCE)
593 set(CMAKE_EXE_LINKER_FLAGS
594 "${GROMACS_LINKER_FLAGS} ${CMAKE_EXE_LINKER_FLAGS}"
595 CACHE STRING "Linker flags" FORCE)
596 endif (NOT DEFINED GROMACS_C_FLAGS_SET)
598 ########################################################################
599 # Specify install locations and which subdirectories to process #
600 ########################################################################
601 set(LIB_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/lib)
602 set(BIN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/bin)
603 set(DATA_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/gromacs)
604 set(MAN_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/man)
605 set(INCL_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/include)
607 set(GMXLIBDIR ${DATA_INSTALL_DIR}/top)
610 add_subdirectory(share)
611 add_subdirectory(include)
612 add_subdirectory(man)
614 add_subdirectory(src)
616 #######################
618 #######################
620 "${CMAKE_CURRENT_SOURCE_DIR}/cmake/cmake_uninstall.cmake.in"
621 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake"
623 ###########################
624 ADD_CUSTOM_TARGET(uninstall
625 "${CMAKE_COMMAND}" -P
626 "${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake")
627 ###########################
630 ########################################################################
632 ########################################################################
635 add_test(TestBuildAll make)
637 add_subdirectory(tests)