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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 /* Disable warnings about double-to-float conversion accuracy loss on MSVC */
51 #pragma warning (disable : 4305)
52 #pragma warning (disable : 4244)
53 #pragma warning (disable : 4101)
54 #pragma warning (disable : 4996)
55 #pragma warning (disable : 4267)
56 #pragma warning (disable : 4090)
59 /* Version number of package (translate from cmake to autoconf macro name) */
60 #define VERSION "@PROJECT_VERSION@"
62 /* Use extra version information generated with git */
63 #cmakedefine GMX_GIT_VERSION_INFO
65 /* Default location of data files */
66 #define GMXLIB_SEARCH_DIR "@GMXLIB_SEARCH_DIR@"
68 /* Default location of data files */
69 #define GMXLIB_FALLBACK "@GMXLIB_FALLBACK@"
71 /* Binary suffix for the created binaries */
72 #define GMX_BINARY_SUFFIX "@GMX_BINARY_SUFFIX@"
74 /* Source directory for the build */
75 #cmakedefine CMAKE_SOURCE_DIR "@CMAKE_SOURCE_DIR@"
77 /* Binary directory for the build */
78 #cmakedefine CMAKE_BINARY_DIR "@CMAKE_BINARY_DIR@"
80 /* Turn off water-water neighborlist optimization only - not used right now */
81 #cmakedefine DISABLE_WATERWATER_NLIST
83 /* Turn off all water neighborlist optimization - not used right now */
84 #cmakedefine DISABLE_WATER_NLIST
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 /* Work around broken calloc() */
92 #cmakedefine GMX_BROKEN_CALLOC
94 /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
95 #cmakedefine GMX_DISABLE_FFTW_MEASURE
97 /* Use Built-in FFTPACK FFT library */
98 #cmakedefine GMX_FFT_FFTPACK
100 /* Use FFTW3 FFT library */
101 #cmakedefine GMX_FFT_FFTW3
103 /* Use Intel MKL FFT library */
104 #cmakedefine GMX_FFT_MKL
106 /* Target platform is x86 or x86_64 */
107 #cmakedefine GMX_TARGET_X86
109 /* Target platform is BlueGene/Q */
110 #cmakedefine GMX_TARGET_BGQ
112 /* SSE2 instructions available */
113 #cmakedefine GMX_X86_SSE2
115 /* SSE4.1 instructions available */
116 #cmakedefine GMX_X86_SSE4_1
118 /* AVX 128-bit FMA instructions available */
119 #cmakedefine GMX_X86_AVX_128_FMA
121 /* AVX 256-bit instructions available */
122 #cmakedefine GMX_X86_AVX_256
124 /* GCC bug in AVX maskload/maskstore arguments - worked around internally */
125 #cmakedefine GMX_X86_AVX_GCC_MASKLOAD_BUG
127 /* SSE2 was selected as CPU acceleration level */
128 #cmakedefine GMX_CPU_ACCELERATION_X86_SSE2
130 /* SSE4.1 was selected as CPU acceleration level */
131 #cmakedefine GMX_CPU_ACCELERATION_X86_SSE4_1
133 /* AVX 128-bit FMA was selected as CPU acceleration level */
134 #cmakedefine GMX_CPU_ACCELERATION_X86_AVX_128_FMA
136 /* AVX 256-bit was selected as CPU acceleration level */
137 #cmakedefine GMX_CPU_ACCELERATION_X86_AVX_256
139 /* IBM QPX was selected as CPU acceleration type (e.g. BlueGene/Q) */
140 #cmakedefine GMX_CPU_ACCELERATION_IBM_QPX
142 /* Fujitsu Sparc64 HPC-ACE SIMD acceleration */
143 #cmakedefine GMX_CPU_ACCELERATION_SPARC64_HPC_ACE
145 /* String for CPU acceleration choice (for writing to log files and stdout) */
146 #define GMX_CPU_ACCELERATION_STRING "@GMX_CPU_ACCELERATION@"
148 /* Integer byte order is big endian. */
149 #cmakedefine GMX_INTEGER_BIG_ENDIAN
151 /* Use our own instead of system XDR libraries */
152 #cmakedefine GMX_INTERNAL_XDR
154 /* Use MPI (with mpicc) for parallelization */
155 #cmakedefine GMX_LIB_MPI
157 /* MPI_IN_PLACE exists for collective operations */
158 #cmakedefine MPI_IN_PLACE_EXISTS
160 /* Make a parallel version of GROMACS using message passing
161 (MPI or thread_mpi) */
164 /* Use threads_mpi for parallelization */
165 #cmakedefine GMX_THREAD_MPI
167 /* Use OpenMP multithreading */
168 #cmakedefine GMX_OPENMP
170 /* Ignore calls to nice(3) */
171 #cmakedefine GMX_NO_NICE
173 /* Ignore calls to system(3) */
174 #cmakedefine GMX_NO_SYSTEM
176 /* Use (modified) Gamess-UK for QM-MM calculations */
177 #cmakedefine GMX_QMMM_GAMESS
179 /* Use (modified) Gaussian0x for QM-MM calculations */
180 #cmakedefine GMX_QMMM_GAUSSIAN
182 /* Use (modified) Mopac 7 for QM-MM calculations */
183 #cmakedefine GMX_QMMM_MOPAC
185 /* Use ORCA for QM-MM calculations */
186 #cmakedefine GMX_QMMM_ORCA
188 /* Use the GROMACS software 1/sqrt(x) */
189 #cmakedefine GMX_SOFTWARE_INVSQRT
191 /* Use sub-counters */
192 #cmakedefine GMX_CYCLE_SUBCOUNTERS
194 /* Compile with plugin support */
195 #cmakedefine GMX_USE_PLUGINS
197 /* Fallback path for VMD plug-ins */
198 #define GMX_VMD_PLUGIN_PATH "@GMX_VMD_PLUGIN_PATH@"
200 /* Define when pthreads are used */
201 #cmakedefine THREAD_PTHREADS
203 /* Define when Windows threads are used */
204 #cmakedefine THREAD_WINDOWS
206 /* Define native atomic operations are found */
207 #cmakedefine TMPI_ATOMICS
209 /* Define for busy wait option */
210 #cmakedefine TMPI_WAIT_FOR_NO_ONE
212 /* Define for copy buffer option */
213 #cmakedefine TMPI_COPY_BUFFER
215 /* Define for tmpi warnings option */
216 #cmakedefine TMPI_WARNINGS
218 /* Define for profiling option */
219 #cmakedefine TMPI_PROFILE
221 /* Define for Linux pthread_setaffinity_np */
222 #cmakedefine HAVE_PTHREAD_SETAFFINITY
224 /* Define for X-Windows */
227 /* Enable x86 gcc inline assembly */
228 #cmakedefine GMX_X86_GCC_INLINE_ASM
230 /* Use GPU native acceleration */
233 /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
234 #cmakedefine HAVE_FSEEKO
236 /* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
237 #cmakedefine HAVE__FSEEKI64
239 /* Define to 1 if you have the gsl library (-lgsl). */
240 #cmakedefine HAVE_LIBGSL
242 /* Have io.h (windows)*/
243 #cmakedefine HAVE_IO_H
245 /* Define to 1 if you have the posix_memalign() function. */
246 #cmakedefine HAVE_POSIX_MEMALIGN
248 /* Define to 1 if you have the memalign() function. */
249 #cmakedefine HAVE_MEMALIGN
251 /* Define to 1 if you have the MSVC _aligned_malloc() function. */
252 #cmakedefine HAVE__ALIGNED_MALLOC
254 /* Define to 1 if you have the clock_gettime() function. */
255 #cmakedefine HAVE_CLOCK_GETTIME
257 /* Define to 1 if you have the gettimeofday() function. */
258 #cmakedefine HAVE_GETTIMEOFDAY
260 /* Define to 1 if you have the rdtscp instruction. */
261 #cmakedefine HAVE_RDTSCP
263 /* Define to 1 if you have the isfinite() function. */
264 #cmakedefine HAVE_ISFINITE
266 /* Define to 1 if you have the _isfinite() function. */
267 #cmakedefine HAVE__ISFINITE
269 /* Define to 1 if you have the _finite() function. */
270 #cmakedefine HAVE__FINITE
272 /* Define to 1 if you have the fsync() function. */
273 #cmakedefine HAVE_FSYNC
275 /* Define to 1 if you have the Windows _commit() function. */
276 #cmakedefine HAVE__COMMIT
278 /* Define to 1 if you have the fileno() function. */
279 #cmakedefine HAVE_FILENO
281 /* Define to 1 if you have the _fileno() function. */
282 #cmakedefine HAVE__FILENO
284 /* Define to 1 if you have the sigaction() function. */
285 #cmakedefine HAVE_SIGACTION
287 /* Define to 1 if you have the rsqrt() function. */
288 #cmakedefine HAVE_RSQRT
290 /* Define to 1 if you have the rsqrtf() function. */
291 #cmakedefine HAVE_RSQRTF
293 /* Define to 1 if you have the sqrtf() function. */
294 #cmakedefine HAVE_SQRTF
296 /* Define to 1 if yo have the <unistd.h> header file. */
297 #cmakedefine HAVE_UNISTD_H
299 /* Define to 1 if yo have the <pwd.h> header file. */
300 #cmakedefine HAVE_PWD_H
302 /* Define to 1 if yo have the <dirent.h> header file. */
303 #cmakedefine HAVE_DIRENT_H
305 /* Define to 1 if you have the <sys/time.h> header file. */
306 #cmakedefine HAVE_SYS_TIME_H
308 /* Define to 1 if you have the <x86intrin.h> header file */
309 #cmakedefine HAVE_X86INTRIN_H
311 /* Define to 1 if you have the <intrin.h> header file */
312 #cmakedefine HAVE_INTRIN_H
314 /* Define to 1 if you have the <sched.h> header */
315 #cmakedefine HAVE_SCHED_H
317 /* Define to 1 if you have the POSIX <regex.h> header file. */
318 #cmakedefine HAVE_POSIX_REGEX
320 /* Define to 1 if you have the C++11 <regex> header file. */
321 #cmakedefine HAVE_CXX11_REGEX
323 /* Define to 1 if you have the sysconf() function */
324 #cmakedefine HAVE_SYSCONF
326 /* Define to 1 if you have the sched_getaffinity() function */
327 #cmakedefine HAVE_SCHED_GETAFFINITY
329 /* Define to 1 if you have the sched_setaffinity() function */
330 #cmakedefine HAVE_SCHED_SETAFFINITY
332 /* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.
333 Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
334 #cmakedefine GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
336 /* The two words in a double precision variable are in b ig-endian order if
337 set, little-endian if not. Do NOT assume this is the same as the byte
338 order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
339 #cmakedefine GMX_IEEE754_BIG_ENDIAN_WORD_ORDER
341 /* Define if SIGUSR1 is present */
342 #cmakedefine HAVE_SIGUSR1
344 /* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
345 #cmakedefine _LARGEFILE_SOURCE
347 /* Define for large files, on AIX-style hosts. */
348 #cmakedefine _LARGE_FILES
350 /* Some systems requires this to be set to 64 for large file support */
351 #cmakedefine _FILE_OFFSET_BITS @_FILE_OFFSET_BITS@
353 /* Define to __inline__ or __inline if that is what the C compiler
354 calls it, or to nothing if inline is not supported under any name.
355 Please do NOT remove the gmx_inline keyword from here. The classical
356 C++ inline keyword is merely a recommendation to the compiler, and
357 many compilers support stronger alternatives (e.g. __forceinline)
358 that we might want to use. */
359 #define gmx_inline ${INLINE_KEYWORD}
361 #define inline ${INLINE_KEYWORD}
364 /* Define to __restrict__ or __restrict if that is what the C compiler
365 calls it, unless we are on C99 when it is simply called restrict.
366 Since restrict is a reserved key word in C99 we are not allowed to
367 redefine the word itself, so call this gmx_restrict to avoid having
368 to identify the language standard level. If it is not supported, it
369 is still defined to an empty string here. */
370 #define gmx_restrict ${RESTRICT_KEYWORD}
371 /* Build special-purpose mdrun library */
372 #cmakedefine GMX_FAHCORE
374 /* Enable gromacs quotes */
375 #cmakedefine GMX_COOL_QUOTES
378 #define FULLINDIRECT 1
379 #define USE_FAH_XDR 1
380 #include "swindirect.h"
383 /* default name mangling maybe wrong on exotic plattforms */
384 #define F77_FUNC(name,NAME) name ## _
386 /* Define if we have pipes */
387 #cmakedefine HAVE_PIPES