3 * Include file for configuration macros from the build system.
5 * This header is not installed, so headers must not reference macros defined
10 #include "gromacs/utility/gmx_header_config.h"
12 /* TODO: For now, disable Doxygen warnings from here */
15 /* Disable warnings about double-to-float conversion accuracy loss on MSVC */
17 #pragma warning (disable : 4305)
18 #pragma warning (disable : 4244)
19 #pragma warning (disable : 4101)
20 #pragma warning (disable : 4996)
21 #pragma warning (disable : 4267)
22 #pragma warning (disable : 4090)
25 /* Name of package (translate from cmake to autoconf macro name) */
26 #define PACKAGE "@PROJECT_NAME@"
28 /* Version number of package (translate from cmake to autoconf macro name) */
29 #define VERSION "@PROJECT_VERSION@"
31 /* Use extra version information generated with git */
32 #cmakedefine GMX_GIT_VERSION_INFO
34 /* Default location of data files */
35 #define GMXLIBDIR "@GMXLIBDIR@"
37 /* Hardware and OS version for build host */
38 #define BUILD_HOST "@BUILD_HOST@"
40 /* CPU information for build host */
41 #define BUILD_CPU_VENDOR "@BUILD_CPU_VENDOR@"
43 #define BUILD_CPU_BRAND "@BUILD_CPU_BRAND@"
45 #define BUILD_CPU_FAMILY @BUILD_CPU_FAMILY@
47 #define BUILD_CPU_MODEL @BUILD_CPU_MODEL@
49 #define BUILD_CPU_STEPPING @BUILD_CPU_STEPPING@
51 #define BUILD_CPU_FEATURES "@BUILD_CPU_FEATURES@"
53 /* Compiler and CFLAGS from build */
54 #define BUILD_COMPILER "@BUILD_COMPILER@"
56 #define BUILD_CFLAGS "@BUILD_CFLAGS@"
58 /* Date and time for build */
59 #define BUILD_TIME "@BUILD_TIME@"
61 /* User doing build */
62 #define BUILD_USER "@BUILD_USER@"
64 /* Binary suffix for the created binaries */
65 #define GMX_BINARY_SUFFIX "@GMX_BINARY_SUFFIX@"
67 /* Source directory for the build */
68 #cmakedefine CMAKE_SOURCE_DIR "@CMAKE_SOURCE_DIR@"
70 /* Binary directory for the build */
71 #cmakedefine CMAKE_BINARY_DIR "@CMAKE_BINARY_DIR@"
73 /* Turn off water-water neighborlist optimization only - not used right now */
74 #cmakedefine DISABLE_WATERWATER_NLIST
76 /* Turn off all water neighborlist optimization - not used right now */
77 #cmakedefine DISABLE_WATER_NLIST
80 #cmakedefine GMX_FORTRAN
82 /* Define to a macro mangling the given C identifier (in lower and upper
83 case), which must not contain underscores, for linking with Fortran. */
84 #define F77_FUNC(name,NAME) @F77_FUNCDEF@
86 /* IEEE754 floating-point format. Memory layout is defined by macros
87 * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER.
89 #cmakedefine GMX_FLOAT_FORMAT_IEEE754
91 /* Use assembly intrinsics kernels for BlueGene */
92 #cmakedefine GMX_BLUEGENE
94 /* Power6 acceleration */
95 #cmakedefine GMX_POWER6
97 /* Work around broken calloc() */
98 #cmakedefine GMX_BROKEN_CALLOC
100 /* Enable special hacks for Cray XT3 */
101 #cmakedefine GMX_CRAY_XT3
103 /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
104 #cmakedefine GMX_DISABLE_FFTW_MEASURE
106 /* Compile in double precision */
107 #cmakedefine GMX_DOUBLE
109 /* Use Built-in FFTPACK FFT library */
110 #cmakedefine GMX_FFT_FFTPACK
112 /* Use FFTW3 FFT library */
113 #cmakedefine GMX_FFT_FFTW3
115 /* Use Intel MKL FFT library */
116 #cmakedefine GMX_FFT_MKL
118 /* Use AMD core math library */
119 #cmakedefine GMX_FFT_ACML
121 /* What type of acceleration is used? (string, for dumping to files) */
122 #define GMX_ACCELERATION "@GMX_ACCELERATION@"
124 /* SSE2 acceleration */
125 #cmakedefine GMX_X86_SSE2
127 /* SSE4.1 acceleration */
128 #cmakedefine GMX_X86_SSE4_1
130 /* AVX 128-bit acceleration with FMA, useful on modern AMD hardware */
131 #cmakedefine GMX_X86_AVX_128_FMA
133 /* AVX 256-bit acceleration, usually for intel hardware */
134 #cmakedefine GMX_X86_AVX_256
136 /* Integer byte order is big endian. */
137 #cmakedefine GMX_INTEGER_BIG_ENDIAN
139 /* Use our own instead of system XDR libraries */
140 #cmakedefine GMX_INTERNAL_XDR
142 /* Use MPI (with mpicc) for parallelization */
143 #cmakedefine GMX_LIB_MPI
145 /* MPI_IN_PLACE exists for collective operations */
146 #cmakedefine MPI_IN_PLACE_EXISTS
148 /* Make a parallel version of GROMACS using message passing
149 (MPI or thread_mpi) */
152 /* Use threads_mpi for parallelization */
153 #cmakedefine GMX_THREAD_MPI
155 /* Use OpenMP multithreading */
156 #cmakedefine GMX_OPENMP
158 /* Use old threading (domain decomp force calc) code */
159 #cmakedefine GMX_THREAD_SHM_FDECOMP
161 /* Ignore calls to nice(3) */
162 #cmakedefine GMX_NO_NICE
164 /* Ignore calls to system(3) */
165 #cmakedefine GMX_NO_SYSTEM
167 /* Use (modified) Gamess-UK for QM-MM calculations */
168 #cmakedefine GMX_QMMM_GAMESS
170 /* Use (modified) Gaussian0x for QM-MM calculations */
171 #cmakedefine GMX_QMMM_GAUSSIAN
173 /* Use (modified) Mopac 7 for QM-MM calculations */
174 #cmakedefine GMX_QMMM_MOPAC
176 /* Use the GROMACS software 1/sqrt(x) */
177 #cmakedefine GMX_SOFTWARE_INVSQRT
179 /* Use the PowerPC hardware 1/sqrt(x) */
180 #cmakedefine GMX_POWERPC_INVSQRT
182 /* Use sub-counters */
183 #cmakedefine GMX_CYCLE_SUBCOUNTERS
185 /* Compile with plugin support */
186 #cmakedefine GMX_USE_PLUGINS
188 /* Fallback path for VMD plug-ins */
189 #define GMX_VMD_PLUGIN_PATH "@GMX_VMD_PLUGIN_PATH@"
191 /* Define when pthreads are used */
192 #cmakedefine THREAD_PTHREADS
194 /* Define when Windows threads are used */
195 #cmakedefine THREAD_WINDOWS
197 /* Define when thread-MPI atomic operations are available */
198 #cmakedefine TMPI_ATOMICS
200 /* Define for busy wait option */
201 #cmakedefine TMPI_WAIT_FOR_NO_ONE
203 /* Define for copy buffer option */
204 #cmakedefine TMPI_COPY_BUFFER
206 /* Define for profiling option */
207 #cmakedefine TMPI_PROFILE
209 /* Define for Linux pthread_setaffinity */
210 #cmakedefine HAVE_PTHREAD_SETAFFINITY
212 /* Define for sysconf() */
213 #cmakedefine HAVE_SYSCONF
215 /* Enable x86 gcc inline assembly */
216 #cmakedefine GMX_X86_GCC_INLINE_ASM
218 /* Use GPU native acceleration */
221 /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
222 #cmakedefine HAVE_FSEEKO
224 /* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
225 #cmakedefine HAVE__FSEEKI64
227 /* Define to 1 if you have the gsl library (-lgsl). */
228 #cmakedefine HAVE_LIBGSL
230 /* Have io.h (windows)*/
231 #cmakedefine HAVE_IO_H
233 /* Define to 1 if you have the strdup() function. */
234 #cmakedefine HAVE_STRDUP
236 /* Define to 1 if you have the posix_memalign() function. */
237 #cmakedefine HAVE_POSIX_MEMALIGN
239 /* Define to 1 if you have the memalign() function. */
240 #cmakedefine HAVE_MEMALIGN
242 /* Define to 1 if you have the MSVC _aligned_malloc() function. */
243 #cmakedefine HAVE__ALIGNED_MALLOC
245 /* Define to 1 if you have the gettimeofday() function. */
246 #cmakedefine HAVE_GETTIMEOFDAY
248 /* Define to 1 if you have the cbrt() function. */
249 #cmakedefine HAVE_CBRT
251 /* Define to 1 if you have the isfinite() function. */
252 #cmakedefine HAVE_ISFINITE
254 /* Define to 1 if you have the _isfinite() function. */
255 #cmakedefine HAVE__ISFINITE
257 /* Define to 1 if you have the _finite() function. */
258 #cmakedefine HAVE__FINITE
260 /* Define to 1 if you have the fsync() function. */
261 #cmakedefine HAVE_FSYNC
263 /* Define to 1 if you have the Windows _commit() function. */
264 #cmakedefine HAVE__COMMIT
266 /* Define to 1 if you have the fileno() function. */
267 #cmakedefine HAVE_FILENO
269 /* Define to 1 if you have the _fileno() function. */
270 #cmakedefine HAVE__FILENO
272 /* Define to 1 if you have the lstat() function. */
273 #cmakedefine HAVE_LSTAT
275 /* Define to 1 if you have the sigaction() function. */
276 #cmakedefine HAVE_SIGACTION
278 /* Define to 1 if yo have the <unistd.h> header file. */
279 #cmakedefine HAVE_UNISTD_H
281 /* Define to 1 if yo have the <pwd.h> header file. */
282 #cmakedefine HAVE_PWD_H
284 /* Define to 1 if yo have the <pthread.h> header file. */
285 #cmakedefine HAVE_PTHREAD_H
287 /* Define to 1 if yo have the <dirent.h> header file. */
288 #cmakedefine HAVE_DIRENT_H
290 /* Define to 1 if you have the <sys/time.h> header file. */
291 #cmakedefine HAVE_SYS_TIME_H
293 /* Define to 1 if you have the <x86intrin.h> header file */
294 #cmakedefine HAVE_X86INTRIN_H
296 /* Define to 1 if you have the <sched.h> header */
297 #cmakedefine HAVE_SCHED_H
299 /* Define to 1 if you have the POSIX <regex.h> header file. */
300 #cmakedefine HAVE_POSIX_REGEX
302 /* Define to 1 if you have the C++11 <regex> header file. */
303 #cmakedefine HAVE_CXX11_REGEX
305 /* Define to 1 if you have the sysconf() function */
306 #cmakedefine HAVE_SYSCONF
308 /* Define to 1 if you have the sched_setaffinity() function */
309 #cmakedefine HAVE_SCHED_SETAFFINITY
311 /* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.
312 Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
313 #cmakedefine GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
315 /* The two words in a double precision variable are in b ig-endian order if
316 set, little-endian if not. Do NOT assume this is the same as the byte
317 order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
318 #cmakedefine GMX_IEEE754_BIG_ENDIAN_WORD_ORDER
320 /* Define if SIGUSR1 is present */
321 #cmakedefine HAVE_SIGUSR1
323 /* The size of int, as computed by sizeof. */
324 #cmakedefine SIZEOF_INT @SIZEOF_INT@
326 /* The size of long int, as computed by sizeof. */
327 #cmakedefine SIZEOF_LONG_INT @SIZEOF_LONG_INT@
329 /* The size of long long int, as computed by sizeof. */
330 #cmakedefine SIZEOF_LONG_LONG_INT @SIZEOF_LONG_LONG_INT@
332 /* The size of off_t, as computed by sizeof. */
333 #cmakedefine SIZEOF_OFF_T @SIZEOF_OFF_T@
335 /* The size of void*, as computed by sizeof. */
336 #cmakedefine SIZEOF_VOIDP @SIZEOF_VOIDP@
338 /* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
339 #cmakedefine _LARGEFILE_SOURCE
341 /* Define for large files, on AIX-style hosts. */
342 #cmakedefine _LARGE_FILES
344 /* Some systems requires this to be set to 64 for large file support */
345 #cmakedefine _FILE_OFFSET_BITS @_FILE_OFFSET_BITS@
347 /* Define to __inline__ or __inline if that is what the C compiler
348 calls it, or to nothing if inline is not supported under any name. */
350 #define inline ${INLINE_KEYWORD}
353 /* Build special-purpose mdrun library */
354 #cmakedefine GMX_FAHCORE
357 #define FULLINDIRECT 1
358 #define USE_FAH_XDR 1
359 #include "swindirect.h"
362 /* Define if we have pipes */
363 #cmakedefine HAVE_PIPES
365 /* Catch stupid CMake problems on OS X */
367 # if ((defined(__LP64__) && __LP64__ && defined(SIZEOF_VOIDP) && SIZEOF_VOIDP<8) || ( (!defined(__LP64__) || __LP64__==0) && (defined(SIZEOF_VOIDP) && SIZEOF_VOIDP>4)))
368 # error "Inconsistency between current OS X architecture and the one used to generate original"
369 # error "CMake configuration. This is probably caused by starting CMake with the default value"
370 # error "for CMAKE_OSX_ARCHITECTURES (blank), and then changing it. In this case all the tests"
371 # error "will have been performed with the original (now incorrect) architecture."
372 # error "To fix this, set CMAKE_OSX_ARCHITECTURES on the _command_line_ before starting CMake,"
373 # error "or create a new such entry with your choice in the GUI _before_ hitting 'configure'."