config.h
1 |
/* Manually created from config.h.in to work with cmake */
|
---|---|
2 |
|
3 |
/* Disable warnings about double-to-float conversion accuracy loss on MSVC */
|
4 |
#ifdef _MSC_VER
|
5 |
#pragma warning (disable : 4305) |
6 |
#pragma warning (disable : 4244) |
7 |
#pragma warning (disable : 4101) |
8 |
#pragma warning (disable : 4996) |
9 |
#pragma warning (disable : 4267) |
10 |
#pragma warning (disable : 4090) |
11 |
#endif
|
12 |
|
13 |
/* Name of package (translate from cmake to autoconf macro name) */
|
14 |
#define PACKAGE "Gromacs" |
15 |
|
16 |
/* Version number of package (translate from cmake to autoconf macro name) */
|
17 |
#define VERSION "4.5.2-dev" |
18 |
|
19 |
/* Use the version string from generated version.h */
|
20 |
#define USE_VERSION_H
|
21 |
|
22 |
/* Default location of data files */
|
23 |
#define GMXLIBDIR "/home/rdiv1001/gromacs_4.5.2_git_cmake/share/gromacs/top" |
24 |
|
25 |
/* Hardware and OS version for build host */
|
26 |
#define BUILD_MACHINE "@TMP_MACHINE@" |
27 |
|
28 |
/* Date and time for build */
|
29 |
#define BUILD_TIME "@TMP_TIME@" |
30 |
|
31 |
/* User doing build */
|
32 |
#define BUILD_USER "jalemkul@sysx1.arc-int.vt.edu [CMAKE]" |
33 |
|
34 |
/* Turn off water-water neighborlist optimization only */
|
35 |
/* #undef DISABLE_WATERWATER_NLIST */
|
36 |
|
37 |
/* Turn off all water neighborlist optimization */
|
38 |
/* #undef DISABLE_WATER_NLIST */
|
39 |
|
40 |
/* Fortran support */
|
41 |
/* #undef GMX_FORTRAN */
|
42 |
|
43 |
/* Define to a macro mangling the given C identifier (in lower and upper
|
44 |
case), which must not contain underscores, for linking with Fortran. */
|
45 |
#define F77_FUNC(name,NAME) name ## _ |
46 |
|
47 |
/* As F77_FUNC, but for C identifiers containing underscores. */
|
48 |
#define F77_FUNC_(name,NAME) name ## _ |
49 |
|
50 |
/* Use the d prefix on fftw2 includes */
|
51 |
/* #undef FFTW2_NAME_DFFTW */
|
52 |
|
53 |
/* Dont use any prefix on fftw2 includes */
|
54 |
/* #undef FFTW2_NAME_FFTW */
|
55 |
|
56 |
/* Use the s prefix on fftw2 includes */
|
57 |
/* #undef FFTW2_NAME_SFFTW */
|
58 |
|
59 |
/* IEEE754 floating-point format. Memory layout is defined by macros
|
60 |
* GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER.
|
61 |
*/
|
62 |
#define GMX_FLOAT_FORMAT_IEEE754
|
63 |
|
64 |
/* Use assembly intrinsics kernels for BlueGene */
|
65 |
/* #undef GMX_BLUEGENE */
|
66 |
|
67 |
/* Power6 acceleration */
|
68 |
/* #undef GMX_POWER6 */
|
69 |
|
70 |
/* Work around broken calloc() */
|
71 |
/* #undef GMX_BROKEN_CALLOC */
|
72 |
|
73 |
/* Enable special hacks for Cray XT3 */
|
74 |
/* #undef GMX_CRAY_XT3 */
|
75 |
|
76 |
/* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
|
77 |
/* #undef GMX_DISABLE_FFTW_MEASURE */
|
78 |
|
79 |
/* Compile in double precision */
|
80 |
/* #undef GMX_DOUBLE */
|
81 |
|
82 |
/* Use Built-in FFTPACK FFT library */
|
83 |
/* #undef GMX_FFT_FFTPACK */
|
84 |
|
85 |
/* Use FFTW2 FFT library */
|
86 |
/* #undef GMX_FFT_FFTW2 */
|
87 |
|
88 |
/* Use FFTW3 FFT library */
|
89 |
#define GMX_FFT_FFTW3
|
90 |
|
91 |
/* Use Intel MKL FFT library */
|
92 |
/* #undef GMX_FFT_MKL */
|
93 |
|
94 |
/* Use AMD core math library */
|
95 |
/* #undef GMX_FFT_ACML */
|
96 |
|
97 |
/* Single-precision SSE instructions on ia32 */
|
98 |
/* #undef GMX_IA32_SSE */
|
99 |
|
100 |
/* Double-precision SSE2 instructions on ia32 */
|
101 |
/* #undef GMX_IA32_SSE2 */
|
102 |
|
103 |
/* Use ia64 assembly tuned for Itanium2 */
|
104 |
/* #undef GMX_IA64_ASM */
|
105 |
|
106 |
/* Integer byte order is big endian. */
|
107 |
#define GMX_INTEGER_BIG_ENDIAN
|
108 |
|
109 |
/* Use our own instead of system XDR libraries */
|
110 |
/* #undef GMX_INTERNAL_XDR */
|
111 |
|
112 |
/* Use MPI (with mpicc) for parallelization */
|
113 |
#define GMX_LIB_MPI
|
114 |
|
115 |
/* MPI_IN_PLACE exists for collective operations */
|
116 |
/* #undef MPI_IN_PLACE_EXISTS */
|
117 |
|
118 |
/* Make a parallel version of GROMACS using message passing
|
119 |
(MPI or thread_mpi) */
|
120 |
#define GMX_MPI
|
121 |
|
122 |
/* Use threads for parallelization */
|
123 |
/* #undef GMX_THREADS */
|
124 |
|
125 |
/* Use old threading (domain decomp force calc) code */
|
126 |
/* #undef GMX_THREAD_SHM_FDECOMP */
|
127 |
|
128 |
/* Ignore calls to nice(3) */
|
129 |
/* #undef GMX_NO_NICE */
|
130 |
|
131 |
/* Ignore calls to system(3) */
|
132 |
/* #undef GMX_NO_SYSTEM */
|
133 |
|
134 |
/* Use PowerPC Altivec inner loops */
|
135 |
/* #undef GMX_PPC_ALTIVEC */
|
136 |
|
137 |
/* Use (modified) Gamess-UK for QM-MM calculations */
|
138 |
/* #undef GMX_QMMM_GAMESS */
|
139 |
|
140 |
/* Use (modified) Gaussian0x for QM-MM calculations */
|
141 |
/* #undef GMX_QMMM_GAUSSIAN */
|
142 |
|
143 |
/* Use (modified) Mopac 7 for QM-MM calculations */
|
144 |
/* #undef GMX_QMMM_MOPAC */
|
145 |
|
146 |
/* Use the GROMACS software 1/sqrt(x) */
|
147 |
#define GMX_SOFTWARE_INVSQRT
|
148 |
|
149 |
/* Use the PowerPC hardware 1/sqrt(x) */
|
150 |
#define GMX_POWERPC_INVSQRT
|
151 |
|
152 |
/* Compile with dlopen */
|
153 |
#define GMX_DLOPEN
|
154 |
|
155 |
/* Define when pthreads are used */
|
156 |
/* #undef THREAD_PTHREADS */
|
157 |
|
158 |
/* Define when Windows threads are used */
|
159 |
/* #undef THREAD_WINDOWS */
|
160 |
|
161 |
/* Define for busy wait option */
|
162 |
/* #undef TMPI_WAIT_FOR_NO_ONE */
|
163 |
|
164 |
/* Define for copy buffer option */
|
165 |
/* #undef TMPI_COPY_BUFFER */
|
166 |
|
167 |
/* Define for profiling option */
|
168 |
/* #undef TMPI_PROFILE */
|
169 |
|
170 |
/* Define for sysconf() */
|
171 |
/* #undef HAVE_SYSCONF */
|
172 |
|
173 |
/* Define for GetSystemInfo() */
|
174 |
/* #undef HAVE_SYSTEM_INFO */
|
175 |
|
176 |
/* Single-precision SSE instructions on X86_64 */
|
177 |
/* #undef GMX_X86_64_SSE */
|
178 |
|
179 |
/* Double-precision SSE2 instructions on X86_64 */
|
180 |
/* #undef GMX_X86_64_SSE2 */
|
181 |
|
182 |
/* Enable x86 gcc inline assembly */
|
183 |
/* #undef GMX_X86_GCC_INLINE_ASM */
|
184 |
|
185 |
/* Enable x86 MSVC inline assembly */
|
186 |
/* #undef GMX_X86_MSVC_INLINE_ASM */
|
187 |
|
188 |
/* Support for SSE intrinsics */
|
189 |
/* #undef GMX_SSE */
|
190 |
|
191 |
/* Support for SSE2 intrinsics */
|
192 |
/* #undef GMX_SSE2 */
|
193 |
|
194 |
/* Support for SSE3 intrinsics */
|
195 |
/* #undef GMX_SSE3 */
|
196 |
|
197 |
/* Support for SSE4.1 intrinsics */
|
198 |
/* #undef GMX_SSE4_1 */
|
199 |
|
200 |
/* Define to 1 if you have the <altivec.h> header file. */
|
201 |
/* #undef HAVE_ALTIVEC_H */
|
202 |
|
203 |
/* Define to 1 if the system has the type gmx_bool. */
|
204 |
/* #undef HAVE_BOOL */
|
205 |
|
206 |
/* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
|
207 |
#define HAVE_FSEEKO
|
208 |
|
209 |
/* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
|
210 |
/* #undef HAVE__FSEEKI64 */
|
211 |
|
212 |
/* Define to 1 if you have the m library (-lm). */
|
213 |
#define HAVE_LIBM
|
214 |
|
215 |
/* Define to 1 if you have the mkl library (-lmkl). */
|
216 |
/* #undef HAVE_LIBMKL */
|
217 |
|
218 |
/* Define to 1 if you have the xml2 library (-lxml2). */
|
219 |
#define HAVE_LIBXML2
|
220 |
|
221 |
/* Define to 1 if you have the dl library (-ldl). */
|
222 |
/* #undef HAVE_LIBDL */
|
223 |
|
224 |
/* Have io.h (windows)*/
|
225 |
/* #undef HAVE_IO_H */
|
226 |
|
227 |
/* Define to 1 if you have the strcasecmp() function. */
|
228 |
#define HAVE_STRCASECMP
|
229 |
|
230 |
/* Define to 1 if you have the strdup() function. */
|
231 |
#define HAVE_STRDUP
|
232 |
|
233 |
/* Define to 1 if you have the vfprintf() function. */
|
234 |
/* #undef HAVE_VFPRINTF */
|
235 |
|
236 |
/* Define to 1 if you have the memcmp() function. */
|
237 |
#define HAVE_MEMCMP
|
238 |
|
239 |
/* Define to 1 if you have the posix_memalign() function. */
|
240 |
/* #undef HAVE_POSIX_MEMALIGN */
|
241 |
|
242 |
/* Define to 1 if you have the memalign() function. */
|
243 |
/* #undef HAVE_MEMALIGN */
|
244 |
|
245 |
/* Define to 1 if you have the MSVC _aligned_malloc() function. */
|
246 |
/* #undef HAVE__ALIGNED_MALLOC */
|
247 |
|
248 |
/* Define to 1 if you have the gettimeofday() function. */
|
249 |
#define HAVE_GETTIMEOFDAY
|
250 |
|
251 |
/* Define to 1 if you have the cbrt() function. */
|
252 |
#define HAVE_CBRT
|
253 |
|
254 |
/* Define to 1 if you have the isnan() function. */
|
255 |
#define HAVE_ISNAN
|
256 |
|
257 |
/* Define to 1 if you have the _isnan() function. */
|
258 |
/* #undef HAVE__ISNAN */
|
259 |
|
260 |
/* Define to 1 if you have the isfinite() function. */
|
261 |
/* #undef HAVE_ISFINITE */
|
262 |
|
263 |
/* Define to 1 if you have the _isfinite() function. */
|
264 |
/* #undef HAVE__ISFINITE */
|
265 |
|
266 |
/* Define to 1 if you have the fsync() function. */
|
267 |
#define HAVE_FSYNC
|
268 |
|
269 |
/* Define to 1 if you have the Windows _commit() function. */
|
270 |
/* #undef HAVE__COMMIT */
|
271 |
|
272 |
/* Define to 1 if you have the fileno() function. */
|
273 |
#define HAVE_FILENO
|
274 |
|
275 |
/* Define to 1 if you have the _fileno() function. */
|
276 |
/* #undef HAVE__FILENO */
|
277 |
|
278 |
/* Define to 1 if you have the <string.h> header file. */
|
279 |
#define HAVE_STRING_H
|
280 |
|
281 |
/* Define to 1 if yo have the <math.h> header file. */
|
282 |
#define HAVE_MATH_H
|
283 |
|
284 |
/* Define to 1 if yo have the <limits.h> header file. */
|
285 |
#define HAVE_LIMITS_H
|
286 |
|
287 |
/* Define to 1 if yo have the <memory.h> header file. */
|
288 |
#define HAVE_MEMORY_H
|
289 |
|
290 |
/* Define to 1 if yo have the <unistd.h> header file. */
|
291 |
#define HAVE_UNISTD_H
|
292 |
|
293 |
/* Define to 1 if yo have the <pwd.h> header file. */
|
294 |
#define HAVE_PWD_H
|
295 |
|
296 |
/* Define to 1 if yo have the <stdint.h> header file. */
|
297 |
#define HAVE_STDINT_H
|
298 |
|
299 |
/* Define to 1 if yo have the <stdlib.h> header file. */
|
300 |
#define HAVE_STDLIB_H
|
301 |
|
302 |
/* Define to 1 if yo have the <pthread.h> header file. */
|
303 |
#define HAVE_PTHREAD_H
|
304 |
|
305 |
/* Define to 1 if yo have the <dirent.h> header file. */
|
306 |
#define HAVE_DIRENT_H
|
307 |
|
308 |
/* Define to 1 if yo have the <inttypes.h> header file. */
|
309 |
#define HAVE_INTTYPES_H
|
310 |
|
311 |
/* Define to 1 if yo have the <regex.h> header file. */
|
312 |
/* #undef HAVE_REGEX_H */
|
313 |
|
314 |
/* Define to 1 if you have the <sys/types.h> header file. */
|
315 |
#define HAVE_SYS_TYPES_H
|
316 |
|
317 |
/* Define to 1 if you have the <sys/stat.h> header file. */
|
318 |
#define HAVE_SYS_STAT_H
|
319 |
|
320 |
/* Define to 1 if you have the <sys/time.h> header file. */
|
321 |
#define HAVE_SYS_TIME_H
|
322 |
|
323 |
/* Define to 1 if you have the <rpc/rpc.h> header file. */
|
324 |
#define HAVE_RPC_RPC_H
|
325 |
|
326 |
/* Define to 1 if you have the <rpc/xdr.h> header file. */
|
327 |
#define HAVE_RPC_XDR_H
|
328 |
|
329 |
/* Define to 1 if yo have the <xmmintrin.h> header file. */
|
330 |
/* #undef HAVE_XMMINTRIN_H */
|
331 |
|
332 |
/* Define to 1 if yo have the <emmintrin.h> header file. */
|
333 |
/* #undef HAVE_EMMINTRIN_H */
|
334 |
|
335 |
/* Define to 1 if yo have the <pmmintrin.h> header file. */
|
336 |
/* #undef HAVE_PMMINTRIN_H */
|
337 |
|
338 |
/* Define to 1 if yo have the <smmintrin.h> header file. */
|
339 |
/* #undef HAVE_SMMINTRIN_H */
|
340 |
|
341 |
/* Define for sched.h (this is for thread_mpi)*/
|
342 |
#define HAVE_SCHED_H
|
343 |
|
344 |
/* Define to 1 if you have the vprintf() function. */
|
345 |
#define HAVE_VPRINTF
|
346 |
|
347 |
/* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.
|
348 |
Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
|
349 |
#define GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
|
350 |
|
351 |
/* The two words in a double precision variable are in b ig-endian order if
|
352 |
set, little-endian if not. Do NOT assume this is the same as the byte
|
353 |
order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
|
354 |
#define GMX_IEEE754_BIG_ENDIAN_WORD_ORDER
|
355 |
|
356 |
/* Define as the return type of signal handlers (int or void). */
|
357 |
#define RETSIGTYPE void |
358 |
|
359 |
/* Define if SIGUSR1 is present */
|
360 |
#define HAVE_SIGUSR1
|
361 |
|
362 |
/* The size of int, as computed by sizeof. */
|
363 |
#define SIZEOF_INT 4 |
364 |
|
365 |
/* The size of long int, as computed by sizeof. */
|
366 |
#define SIZEOF_LONG_INT 4 |
367 |
|
368 |
/* The size of long long int, as computed by sizeof. */
|
369 |
#define SIZEOF_LONG_LONG_INT 8 |
370 |
|
371 |
/* The size of off_t, as computed by sizeof. */
|
372 |
#define SIZEOF_OFF_T 8 |
373 |
|
374 |
/* The size of void*, as computed by sizeof. */
|
375 |
#define SIZEOF_VOIDP 4 |
376 |
|
377 |
/* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
|
378 |
/* #undef _LARGEFILE_SOURCE */
|
379 |
|
380 |
/* Define for large files, on AIX-style hosts. */
|
381 |
/* #undef _LARGE_FILES */
|
382 |
|
383 |
/* Some systems requires this to be set to 64 for large file support */
|
384 |
/* #undef _FILE_OFFSET_BITS */
|
385 |
|
386 |
/* Gromacs shortcut define for fseeko & ftello being present with 64-bit support */
|
387 |
#define GMX_LARGEFILES
|
388 |
|
389 |
/* Define to int if <sys/types.h> does not define. */
|
390 |
/* #undef gid_t */
|
391 |
|
392 |
/* Define to __inline__ or __inline if that is what the C compiler
|
393 |
calls it, or to nothing if inline is not supported under any name. */
|
394 |
#ifndef __cplusplus
|
395 |
#define inline |
396 |
#endif
|
397 |
|
398 |
/* Define to __restrict__ or __restrict if that is what the C compiler
|
399 |
calls it, or to nothing if restrict is not supported under any name. */
|
400 |
#define restrict |
401 |
|
402 |
#ifndef CPLUSPLUS
|
403 |
#ifdef __cplusplus
|
404 |
#define CPLUSPLUS
|
405 |
#endif
|
406 |
#endif
|
407 |
|
408 |
/* Define to long int if <sys/types.h> does not define. */
|
409 |
/* #undef off_t */
|
410 |
|
411 |
/* Define to unsigned int if <sys/types.h> does not define. */
|
412 |
/* #undef size_t */
|
413 |
|
414 |
/* Define to int if <sys/types.h> does not define. */
|
415 |
/* #undef uid_t */
|
416 |
|
417 |
/* Build special-purpose mdrun library */
|
418 |
/* #undef GMX_FAHCORE */
|
419 |
|
420 |
#ifdef GMX_FAHCORE
|
421 |
#define FULLINDIRECT 1 |
422 |
#define USE_FAH_XDR 1 |
423 |
#include "swindirect.h" |
424 |
#endif
|
425 |
|
426 |
/* Define if we have pipes */
|
427 |
#define HAVE_PIPES
|
428 |
|
429 |
|
430 |
/* Catch stupid CMake problems on OS X */
|
431 |
#ifdef __APPLE__
|
432 |
# if ((defined(__LP64__) && __LP64__ && defined(SIZEOF_VOIDP) && SIZEOF_VOIDP<8) || ( (!defined(__LP64__) || __LP64__==0) && (defined(SIZEOF_VOIDP) && SIZEOF_VOIDP>4))) |
433 |
# error "Inconsistency between current OS X architecture and the one used to generate original" |
434 |
# error "CMake configuration. This is probably caused by starting CMake with the default value" |
435 |
# error "for CMAKE_OSX_ARCHITECTURES (blank), and then changing it. In this case all the tests" |
436 |
# error "will have been performed with the original (now incorrect) architecture." |
437 |
# error "To fix this, set CMAKE_OSX_ARCHITECTURES on the _command_line_ before starting CMake," |
438 |
# error "or create a new such entry with your choice in the GUI _before_ hitting 'configure'." |
439 |
# endif
|
440 |
#endif
|