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35 /*! \libinternal \file
37 * Include file for configuration macros from the build system.
39 * This header is not installed, so headers must not reference macros defined
44 #include "gromacs/utility/gmx_header_config.h"
46 /* TODO: For now, disable Doxygen warnings from here */
49 /* Default location of data files */
50 #define GMXLIB_SEARCH_DIR "@GMXLIB_SEARCH_DIR@"
52 /* Default location of data files */
53 #define GMXLIB_FALLBACK "@GMXLIB_FALLBACK@"
55 /* Binary suffix for the created binaries */
56 #define GMX_BINARY_SUFFIX "@GMX_BINARY_SUFFIX@"
58 /* Source directory for the build */
59 #cmakedefine CMAKE_SOURCE_DIR "@CMAKE_SOURCE_DIR@"
61 /* Binary directory for the build */
62 #cmakedefine CMAKE_BINARY_DIR "@CMAKE_BINARY_DIR@"
64 /* Turn off water-water neighborlist optimization only - not used right now */
65 #cmakedefine DISABLE_WATERWATER_NLIST
67 /* Turn off all water neighborlist optimization - not used right now */
68 #cmakedefine DISABLE_WATER_NLIST
70 /* IEEE754 floating-point format. Memory layout is defined by macros
71 * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER.
73 #cmakedefine GMX_FLOAT_FORMAT_IEEE754
75 /* Work around broken calloc() */
76 #cmakedefine GMX_BROKEN_CALLOC
78 /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
79 #cmakedefine GMX_DISABLE_FFTW_MEASURE
81 /* Use Built-in FFTPACK FFT library */
82 #cmakedefine GMX_FFT_FFTPACK
84 /* Use FFTW3 FFT library */
85 #cmakedefine GMX_FFT_FFTW3
87 /* Use Intel MKL FFT library */
88 #cmakedefine GMX_FFT_MKL
90 /* Target platform is x86 or x86_64 */
91 #cmakedefine GMX_TARGET_X86
93 /* Target platform is BlueGene/Q */
94 #cmakedefine GMX_TARGET_BGQ
96 /* GCC bug in AVX maskload/maskstore arguments - worked around internally */
97 #cmakedefine GMX_SIMD_X86_AVX_GCC_MASKLOAD_BUG
99 /* SSE2 was selected for SIMD instruction set level */
100 #cmakedefine GMX_SIMD_X86_SSE2
102 /* SSE4.1 was selected as SIMD instructions */
103 #cmakedefine GMX_SIMD_X86_SSE4_1
105 /* AVX 128-bit FMA was selected as SIMD instructions */
106 #cmakedefine GMX_SIMD_X86_AVX_128_FMA
108 /* AVX 256-bit was selected as SIMD instructions */
109 #cmakedefine GMX_SIMD_X86_AVX_256
111 /* AVX2 256-bit SIMD instruction set level was selected */
112 #cmakedefine GMX_SIMD_X86_AVX2_256
114 /* IBM QPX was selected as SIMD instructions (e.g. BlueGene/Q) */
115 #cmakedefine GMX_SIMD_IBM_QPX
117 /* Fujitsu Sparc64 HPC-ACE SIMD acceleration */
118 #cmakedefine GMX_SIMD_SPARC64_HPC_ACE
120 /* Reference SIMD implementation for testing */
121 #cmakedefine GMX_SIMD_REFERENCE
123 /* String for SIMD instruction choice (for writing to log files and stdout) */
124 #define GMX_SIMD_STRING "@GMX_SIMD@"
126 /* Calling convention string (if any) for routines with SIMD variable args */
127 #define gmx_simdcall @GMX_SIMD_CALLING_CONVENTION@
129 /* Integer byte order is big endian. */
130 #cmakedefine GMX_INTEGER_BIG_ENDIAN
132 /* Use our own instead of system XDR libraries */
133 #cmakedefine GMX_INTERNAL_XDR
135 /* Compile to use TNG library */
136 #cmakedefine GMX_USE_TNG
138 /* Add support for tracing using Extrae */
139 #cmakedefine HAVE_EXTRAE
141 /* Use MPI (with mpicc) for parallelization */
142 #cmakedefine GMX_LIB_MPI
144 /* MPI_IN_PLACE exists for collective operations */
145 #cmakedefine MPI_IN_PLACE_EXISTS
147 /* Make a parallel version of GROMACS using message passing
148 (MPI or thread_mpi) */
151 /* Use threads_mpi for parallelization */
152 #cmakedefine GMX_THREAD_MPI
154 /* Use OpenMP multithreading */
155 #cmakedefine GMX_OPENMP
157 /* Ignore calls to nice(3) */
158 #cmakedefine GMX_NO_NICE
160 /* Use if can't rename checkpoints */
161 #cmakedefine GMX_NO_RENAME
163 /* Ignore calls to system(3) */
164 #cmakedefine GMX_NO_SYSTEM
166 /* Use (modified) Gamess-UK for QM-MM calculations */
167 #cmakedefine GMX_QMMM_GAMESS
169 /* Use (modified) Gaussian0x for QM-MM calculations */
170 #cmakedefine GMX_QMMM_GAUSSIAN
172 /* Use (modified) Mopac 7 for QM-MM calculations */
173 #cmakedefine GMX_QMMM_MOPAC
175 /* Use ORCA for QM-MM calculations */
176 #cmakedefine GMX_QMMM_ORCA
178 /* Use the GROMACS software 1/sqrt(x) */
179 #cmakedefine GMX_SOFTWARE_INVSQRT
181 /* Use sub-counters */
182 #cmakedefine GMX_CYCLE_SUBCOUNTERS
184 /* Compile with plugin support */
185 #cmakedefine GMX_USE_PLUGINS
187 /* Fallback path for VMD plug-ins */
188 #define GMX_VMD_PLUGIN_PATH "@GMX_VMD_PLUGIN_PATH@"
190 /* Define when pthreads are used */
191 #cmakedefine THREAD_PTHREADS
193 /* Define when Windows threads are used */
194 #cmakedefine THREAD_WINDOWS
196 /* Define native atomic operations are found */
197 #cmakedefine TMPI_ATOMICS
199 /* Define for busy wait option */
200 #cmakedefine TMPI_WAIT_FOR_NO_ONE
202 /* Define for copy buffer option */
203 #cmakedefine TMPI_COPY_BUFFER
205 /* Define for tmpi warnings option */
206 #cmakedefine TMPI_WARNINGS
208 /* Define for profiling option */
209 #cmakedefine TMPI_PROFILE
211 /* Define for Linux pthread_setaffinity_np */
212 #cmakedefine HAVE_PTHREAD_SETAFFINITY
214 /* Define for X-Windows */
217 /* Enable x86 gcc inline assembly */
218 #cmakedefine GMX_X86_GCC_INLINE_ASM
220 /* Use GPU native acceleration */
223 /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
224 #cmakedefine HAVE_FSEEKO
226 /* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
227 #cmakedefine HAVE__FSEEKI64
229 /* Have io.h (windows)*/
230 #cmakedefine HAVE_IO_H
232 /* Define to 1 if you have the posix_memalign() function. */
233 #cmakedefine HAVE_POSIX_MEMALIGN
235 /* Define to 1 if you have the memalign() function. */
236 #cmakedefine HAVE_MEMALIGN
238 /* Define to 1 if you have the MSVC _aligned_malloc() function. */
239 #cmakedefine HAVE__ALIGNED_MALLOC
241 /* Define to 1 if you have the clock_gettime() function. */
242 #cmakedefine HAVE_CLOCK_GETTIME
244 /* Define to 1 if you have the gettimeofday() function. */
245 #cmakedefine HAVE_GETTIMEOFDAY
247 /* Define to 1 if you have the rdtscp instruction. */
248 #cmakedefine HAVE_RDTSCP
250 /* Define to 1 if you have the isfinite() function. */
251 #cmakedefine HAVE_ISFINITE
253 /* Define to 1 if you have the _isfinite() function. */
254 #cmakedefine HAVE__ISFINITE
256 /* Define to 1 if you have the _finite() function. */
257 #cmakedefine HAVE__FINITE
259 /* Define to 1 if you have the fsync() function. */
260 #cmakedefine HAVE_FSYNC
262 /* Define to 1 if you have the Windows _commit() function. */
263 #cmakedefine HAVE__COMMIT
265 /* Define to 1 if you have the fileno() function. */
266 #cmakedefine HAVE_FILENO
268 /* Define to 1 if you have the _fileno() function. */
269 #cmakedefine HAVE__FILENO
271 /* Define to 1 if you have the sigaction() function. */
272 #cmakedefine HAVE_SIGACTION
274 /* Define to 1 if you have the rsqrt() function. */
275 #cmakedefine HAVE_RSQRT
277 /* Define to 1 if you have the rsqrtf() function. */
278 #cmakedefine HAVE_RSQRTF
280 /* Define to 1 if you have the sqrtf() function. */
281 #cmakedefine HAVE_SQRTF
283 /* Define to 1 if yo have the <unistd.h> header file. */
284 #cmakedefine HAVE_UNISTD_H
286 /* Define to 1 if yo have the <pwd.h> header file. */
287 #cmakedefine HAVE_PWD_H
289 /* Define to 1 if yo have the <dirent.h> header file. */
290 #cmakedefine HAVE_DIRENT_H
292 /* Define to 1 if you have the <sys/time.h> header file. */
293 #cmakedefine HAVE_SYS_TIME_H
295 /* Define to 1 if you have the <x86intrin.h> header file */
296 #cmakedefine HAVE_X86INTRIN_H
298 /* Define to 1 if you have the <intrin.h> header file */
299 #cmakedefine HAVE_INTRIN_H
301 /* Define to 1 if you have the <sched.h> header */
302 #cmakedefine HAVE_SCHED_H
304 /* Define to 1 if you have the POSIX <regex.h> header file. */
305 #cmakedefine HAVE_POSIX_REGEX
307 /* Define to 1 if you have the C++11 <regex> header file. */
308 #cmakedefine HAVE_CXX11_REGEX
310 /* Define to 1 if you have the sysconf() function */
311 #cmakedefine HAVE_SYSCONF
313 /* Define to 1 if you have the all the affinity functions in sched.h */
314 #cmakedefine HAVE_SCHED_AFFINITY
316 /* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.
317 Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
318 #cmakedefine GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
320 /* The two words in a double precision variable are in b ig-endian order if
321 set, little-endian if not. Do NOT assume this is the same as the byte
322 order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
323 #cmakedefine GMX_IEEE754_BIG_ENDIAN_WORD_ORDER
325 /* Define if SIGUSR1 is present */
326 #cmakedefine HAVE_SIGUSR1
328 /* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
329 #cmakedefine _LARGEFILE_SOURCE
331 /* Define for large files, on AIX-style hosts. */
332 #cmakedefine _LARGE_FILES
334 /* Some systems requires this to be set to 64 for large file support */
335 #cmakedefine _FILE_OFFSET_BITS @_FILE_OFFSET_BITS@
337 /* Build special-purpose mdrun library */
338 #cmakedefine GMX_FAHCORE
340 /* Enable gromacs quotes */
341 #cmakedefine GMX_COOL_QUOTES
344 #define FULLINDIRECT 1
345 #define USE_FAH_XDR 1
346 #include "swindirect.h"
349 /* default name mangling maybe wrong on exotic plattforms */
350 #define F77_FUNC(name,NAME) name ## _
352 /* Define if we have pipes */
353 #cmakedefine HAVE_PIPES
355 /* Define if we have zlib */
356 #cmakedefine HAVE_ZLIB