1 /* Manually created from config.h.in to work with cmake */
3 /* Disable warnings about double-to-float conversion accuracy loss on MSVC */
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)
13 /* Name of package (translate from cmake to autoconf macro name) */
14 #define PACKAGE "@PROJECT_NAME@"
16 /* Version number of package (translate from cmake to autoconf macro name) */
17 #define VERSION "@PROJECT_VERSION@"
19 /* Default location of data files */
20 #cmakedefine GMXLIBDIR "@GMXLIBDIR@"
22 /* Hardware and OS version for build host */
23 #cmakedefine BUILD_MACHINE "@BUILD_MACHINE@"
25 /* Date and time for build */
26 #cmakedefine BUILD_TIME "@BUILD_TIME@"
28 /* User doing build */
29 #cmakedefine BUILD_USER "@BUILD_USER@"
31 /* Turn off water-water neighborlist optimization only */
32 #cmakedefine DISABLE_WATERWATER_NLIST
34 /* Turn off all water neighborlist optimization */
35 #cmakedefine DISABLE_WATER_NLIST
38 #cmakedefine GMX_FORTRAN
40 /* Define to a macro mangling the given C identifier (in lower and upper
41 case), which must not contain underscores, for linking with Fortran. */
42 #define F77_FUNC(name,NAME) @F77_FUNCDEF@
44 /* As F77_FUNC, but for C identifiers containing underscores. */
45 #define F77_FUNC_(name,NAME) @F77_FUNCDEF_@
47 /* Use the d prefix on fftw2 includes */
48 #cmakedefine FFTW2_NAME_DFFTW
50 /* Dont use any prefix on fftw2 includes */
51 #cmakedefine FFTW2_NAME_FFTW
53 /* Use the s prefix on fftw2 includes */
54 #cmakedefine FFTW2_NAME_SFFTW
56 /* IEEE754 floating-point format. Memory layout is defined by macros
57 * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER.
59 #cmakedefine GMX_FLOAT_FORMAT_IEEE754
61 /* Use assembly intrinsics kernels for BlueGene */
62 #cmakedefine GMX_BLUEGENE
64 /* Power6 acceleration */
65 #cmakedefine GMX_POWER6
67 /* Work around broken calloc() */
68 #cmakedefine GMX_BROKEN_CALLOC
70 /* Enable special hacks for Cray XT3 */
71 #cmakedefine GMX_CRAY_XT3
73 /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
74 #cmakedefine GMX_DISABLE_FFTW_MEASURE
76 /* Compile in double precision */
77 #cmakedefine GMX_DOUBLE
79 /* Use Built-in FFTPACK FFT library */
80 #cmakedefine GMX_FFT_FFTPACK
82 /* Use FFTW2 FFT library */
83 #cmakedefine GMX_FFT_FFTW2
85 /* Use FFTW3 FFT library */
86 #cmakedefine GMX_FFT_FFTW3
88 /* Use Intel MKL FFT library */
89 #cmakedefine GMX_FFT_MKL
91 /* Use AMD core math library */
92 #cmakedefine GMX_FFT_ACML
94 /* Single-precision SSE instructions on ia32 */
95 #cmakedefine GMX_IA32_SSE
97 /* Double-precision SSE2 instructions on ia32 */
100 /* Use ia64 assembly tuned for Itanium2 */
101 #cmakedefine GMX_IA64_ASM
103 /* Integer byte order is big endian. */
104 #cmakedefine GMX_INTEGER_BIG_ENDIAN
106 /* Use our own instead of system XDR libraries */
107 #cmakedefine GMX_INTERNAL_XDR
109 /* Use MPI (with mpicc) for parallelization */
110 #cmakedefine GMX_LIB_MPI
112 /* MPI_IN_PLACE exists for collective operations */
113 #cmakedefine MPI_IN_PLACE_EXISTS
115 /* Make a parallel version of GROMACS using message passing
116 (MPI or thread_mpi) */
119 /* Use threads for parallelization */
120 #cmakedefine GMX_THREADS
122 /* Use old threading (domain decomp force calc) code */
123 #cmakedefine GMX_THREAD_SHM_FDECOMP
125 /* Ignore calls to nice(3) */
126 #cmakedefine GMX_NO_NICE
128 /* Ignore calls to system(3) */
129 #cmakedefine GMX_NO_SYSTEM
131 /* Use PowerPC Altivec inner loops */
132 #cmakedefine GMX_PPC_ALTIVEC
134 /* Use (modified) Gamess-UK for QM-MM calculations */
135 #cmakedefine GMX_QMMM_GAMESS
137 /* Use (modified) Gaussian0x for QM-MM calculations */
138 #cmakedefine GMX_QMMM_GAUSSIAN
140 /* Use (modified) Mopac 7 for QM-MM calculations */
141 #cmakedefine GMX_QMMM_MOPAC
143 /* Use the GROMACS software 1/sqrt(x) */
144 #cmakedefine GMX_SOFTWARE_INVSQRT
146 /* Compile with dlopen */
147 #cmakedefine GMX_DLOPEN
149 /* Use pthreads for thread_mpi multithreading */
150 #cmakedefine THREAD_PTHREADS
153 #cmakedefine HAVE_PTHREAD_H
155 /* Single-precision SSE instructions on X86_64 */
156 #cmakedefine GMX_X86_64_SSE
158 /* Double-precision SSE2 instructions on X86_64 */
159 #undef GMX_X86_64_SSE2
161 /* Enable x86 gcc inline assembly */
162 #cmakedefine GMX_X86_GCC_INLINE_ASM
164 /* Enable x86 MSVC inline assembly */
165 #cmakedefine GMX_X86_MSVC_INLINE_ASM
167 /* Support for SSE intrinsics */
170 /* Support for SSE2 intrinsics */
171 #cmakedefine GMX_SSE2
173 /* Support for SSE3 intrinsics */
174 #cmakedefine GMX_SSE3
176 /* Support for SSE4.1 intrinsics */
177 #cmakedefine GMX_SSE4_1
179 /* Define to 1 if you have the <altivec.h> header file. */
180 #cmakedefine HAVE_ALTIVEC_H
182 /* Define to 1 if the system has the type bool. */
183 #cmakedefine HAVE_BOOL
185 /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
186 #cmakedefine HAVE_FSEEKO
188 /* Define to 1 if you have the <inttypes.h> header file. */
189 #cmakedefine HAVE_INTTYPES_H
191 /* Define to 1 if you have the m library (-lm). */
192 #cmakedefine HAVE_LIBM
194 /* Define to 1 if you have the mkl library (-lmkl). */
195 #cmakedefine HAVE_LIBMKL
197 /* Define to 1 if you have the xml2 library (-lxml2). */
198 #cmakedefine HAVE_LIBXML2
200 /* Define to 1 if you have the <limits.h> header file. */
201 #cmakedefine HAVE_LIMITS_H
203 /* Define to 1 if you have the <memory.h> header file. */
204 #cmakedefine HAVE_MEMORY_H
206 /* Define to 1 if you have the <regex.h> header file. */
207 #cmakedefine HAVE_REGEX_H
209 /* Define to 1 if you have the <rpc/rpc.h> header file. */
210 #cmakedefine HAVE_RPC_RPC_H
212 /* Define to 1 if you have the <rpc/xdr.h> header file. */
213 #cmakedefine HAVE_RPC_XDR_H
215 /* Define to 1 if you have the <stdint.h> header file. */
216 #cmakedefine HAVE_STDINT_H
218 /* Define to 1 if you have the <stdlib.h> header file. */
219 #cmakedefine HAVE_STDLIB_H
221 /* Define to 1 if you have the strcasecmp() function. */
222 #cmakedefine HAVE_STRCASECMP
224 /* Define to 1 if you have the strdup() function. */
225 #cmakedefine HAVE_STRDUP
227 /* Define to 1 if you have the vfprintf() function. */
228 #cmakedefine HAVE_VFPRINTF
230 /* Define to 1 if you have the memcmp() function. */
231 #cmakedefine HAVE_MEMCMP
233 /* Define to 1 if you have the gettimeofday() function. */
234 #cmakedefine HAVE_GETTIMEOFDAY
236 /* Define to 1 if you have the isnan() function. */
237 #cmakedefine HAVE_ISNAN
239 /* Define to 1 if you have the _isnan() function. */
240 #cmakedefine HAVE__ISNAN
242 /* Define to 1 if you have the isfinite() function. */
243 #cmakedefine HAVE_ISFINITE
245 /* Define to 1 if you have the _isfinite() function. */
246 #cmakedefine HAVE__ISFINITE
248 /* Define to 1 if you have the <string.h> header file. */
249 #cmakedefine HAVE_STRING_H
251 /* Define to 1 if you have the <sys/stat.h> header file. */
252 #cmakedefine HAVE_SYS_STAT_H
254 /* Define to 1 if you have the <sys/types.h> header file. */
255 #cmakedefine HAVE_SYS_TYPES_H
257 #ifndef HAVE_SYS_TIME_H
258 /* Define to 1 if you have the <sys/time.h> header file. */
259 #cmakedefine HAVE_SYS_TIME_H
262 /* Define to 1 if you have the <unistd.h> header file. */
263 #cmakedefine HAVE_UNISTD_H
265 /* Define to 1 if you have the vprintf() function. */
266 #cmakedefine HAVE_VPRINTF
268 /* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.
269 Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
270 #cmakedefine GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
272 /* The two words in a double precision variable are in b ig-endian order if
273 set, little-endian if not. Do NOT assume this is the same as the byte
274 order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
275 #cmakedefine GMX_IEEE754_BIG_ENDIAN_WORD_ORDER
277 /* Define as the return type of signal handlers (int or void). */
278 #cmakedefine RETSIGTYPE @RETSIGTYPE@
280 /* Define if SIGUSR1 is present */
281 #cmakedefine HAVE_SIGUSR1
283 /* The size of int, as computed by sizeof. */
284 #cmakedefine SIZEOF_INT @SIZEOF_INT@
286 /* The size of long int, as computed by sizeof. */
287 #cmakedefine SIZEOF_LONG_INT @SIZEOF_LONG_INT@
289 /* The size of long long int, as computed by sizeof. */
290 #cmakedefine SIZEOF_LONG_LONG_INT @SIZEOF_LONG_LONG_INT@
292 /* The size of off_t, as computed by sizeof. */
293 #cmakedefine SIZEOF_OFF_T @SIZEOF_OFF_T@
295 /* The size of void*, as computed by sizeof. */
296 #cmakedefine SIZEOF_VOIDP @SIZEOF_VOIDP@
298 /* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
299 #cmakedefine _LARGEFILE_SOURCE
301 /* Define for large files, on AIX-style hosts. */
302 #cmakedefine _LARGE_FILES
304 /* Some systems requires this to be set to 64 for large file support */
305 #cmakedefine _FILE_OFFSET_BITS @_FILE_OFFSET_BITS@
307 /* Gromacs shortcut define for fseeko & ftello being present with 64-bit support */
308 #cmakedefine GMX_LARGEFILES
310 /* Define to int if <sys/types.h> does not define. */
311 #cmakedefine gid_t int
313 /* Define to __inline__ or __inline if that is what the C compiler
314 calls it, or to nothing if inline is not supported under any name. */
316 #define inline ${INLINE_KEYWORD}
325 /* Define to long int if <sys/types.h> does not define. */
326 #cmakedefine off_t int
328 /* Define to unsigned int if <sys/types.h> does not define. */
329 #cmakedefine size_t int
331 /* Define to int if <sys/types.h> does not define. */
332 #cmakedefine uid_t int
334 /* Build special-purpose mdrun library */
335 #cmakedefine GMX_FAHCORE
338 #define FULLINDIRECT 1
339 #define USE_FAH_XDR 1
340 #include "swindirect.h"
343 /* Define if we have pipes */
344 #cmakedefine HAVE_PIPES