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 /* Use the version string from generated version.h */
20 #cmakedefine USE_VERSION_H
22 /* Default location of data files */
23 #define GMXLIBDIR "@GMXLIBDIR@"
25 /* Turn off water-water neighborlist optimization only - not used right now */
26 #cmakedefine DISABLE_WATERWATER_NLIST
28 /* Turn off all water neighborlist optimization - not used right now */
29 #cmakedefine DISABLE_WATER_NLIST
32 #cmakedefine GMX_FORTRAN
34 /* Define to a macro mangling the given C identifier (in lower and upper
35 case), which must not contain underscores, for linking with Fortran. */
36 #define F77_FUNC(name,NAME) @F77_FUNCDEF@
38 /* As F77_FUNC, but for C identifiers containing underscores. */
39 #define F77_FUNC_(name,NAME) @F77_FUNCDEF_@
41 /* IEEE754 floating-point format. Memory layout is defined by macros
42 * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER.
44 #cmakedefine GMX_FLOAT_FORMAT_IEEE754
46 /* Use assembly intrinsics kernels for BlueGene */
47 #cmakedefine GMX_BLUEGENE
49 /* Power6 acceleration */
50 #cmakedefine GMX_POWER6
52 /* Work around broken calloc() */
53 #cmakedefine GMX_BROKEN_CALLOC
55 /* Enable special hacks for Cray XT3 */
56 #cmakedefine GMX_CRAY_XT3
58 /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
59 #cmakedefine GMX_DISABLE_FFTW_MEASURE
61 /* Compile in double precision */
62 #cmakedefine GMX_DOUBLE
64 /* Use Built-in FFTPACK FFT library */
65 #cmakedefine GMX_FFT_FFTPACK
67 /* Use FFTW3 FFT library */
68 #cmakedefine GMX_FFT_FFTW3
70 /* Use Intel MKL FFT library */
71 #cmakedefine GMX_FFT_MKL
73 /* Use AMD core math library */
74 #cmakedefine GMX_FFT_ACML
76 /* SSE2 instructions available */
77 #cmakedefine GMX_X86_SSE2
79 /* SSE4.1 instructions available */
80 #cmakedefine GMX_X86_SSE4_1
82 /* AVX 128-bit FMA instructions available */
83 #cmakedefine GMX_X86_AVX_128_FMA
85 /* AVX 256-bit instructions available */
86 #cmakedefine GMX_X86_AVX_256
88 /* SSE2 was selected as CPU acceleration level */
89 #cmakedefine GMX_CPU_ACCELERATION_X86_SSE2
91 /* SSE4.1 was selected as CPU acceleration level */
92 #cmakedefine GMX_CPU_ACCELERATION_X86_SSE4_1
94 /* AVX 128-bit FMA was selected as CPU acceleration level */
95 #cmakedefine GMX_CPU_ACCELERATION_X86_AVX_128_FMA
97 /* AVX 256-bit was selected as CPU acceleration level */
98 #cmakedefine GMX_CPU_ACCELERATION_X86_AVX_256
100 /* String for CPU acceleration choice (for writing to log files and stdout) */
101 #define GMX_CPU_ACCELERATION_STRING "@GMX_CPU_ACCELERATION@"
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_mpi for parallelization */
120 #cmakedefine GMX_THREAD_MPI
122 /* Use OpenMP multithreading */
123 #cmakedefine GMX_OPENMP
125 /* Ignore calls to nice(3) */
126 #cmakedefine GMX_NO_NICE
128 /* Ignore calls to system(3) */
129 #cmakedefine GMX_NO_SYSTEM
131 /* Use (modified) Gamess-UK for QM-MM calculations */
132 #cmakedefine GMX_QMMM_GAMESS
134 /* Use (modified) Gaussian0x for QM-MM calculations */
135 #cmakedefine GMX_QMMM_GAUSSIAN
137 /* Use (modified) Mopac 7 for QM-MM calculations */
138 #cmakedefine GMX_QMMM_MOPAC
140 /* Use the GROMACS software 1/sqrt(x) */
141 #cmakedefine GMX_SOFTWARE_INVSQRT
143 /* Use the PowerPC hardware 1/sqrt(x) */
144 #cmakedefine GMX_POWERPC_INVSQRT
146 /* Use sub-counters */
147 #cmakedefine GMX_CYCLE_SUBCOUNTERS
149 /* Compile with plugin support */
150 #cmakedefine GMX_USE_PLUGINS
152 /* Fallback path for VMD plug-ins */
153 #define GMX_VMD_PLUGIN_PATH "@GMX_VMD_PLUGIN_PATH@"
155 /* Define when pthreads are used */
156 #cmakedefine THREAD_PTHREADS
158 /* Define when Windows threads are used */
159 #cmakedefine THREAD_WINDOWS
161 /* Define when thread-MPI atomic operations are available */
162 #cmakedefine TMPI_ATOMICS
164 /* Define for busy wait option */
165 #cmakedefine TMPI_WAIT_FOR_NO_ONE
167 /* Define for copy buffer option */
168 #cmakedefine TMPI_COPY_BUFFER
170 /* Define for profiling option */
171 #cmakedefine TMPI_PROFILE
173 /* Define for Linux pthread_setaffinity */
174 #cmakedefine HAVE_PTHREAD_SETAFFINITY
176 /* Define for Windows NUMA-aware allocator functions*/
177 #cmakedefine TMPI_WINDOWS_NUMA_API
179 /* Define for sysconf() */
180 #cmakedefine HAVE_SYSCONF
182 /* Define for GetSystemInfo() */
183 #cmakedefine HAVE_SYSTEM_INFO
185 /* Enable x86 gcc inline assembly */
186 #cmakedefine GMX_X86_GCC_INLINE_ASM
188 /* Use GPU native acceleration */
191 /* Define to 1 if the system has the type gmx_bool. */
192 #cmakedefine HAVE_BOOL
194 /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
195 #cmakedefine HAVE_FSEEKO
197 /* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
198 #cmakedefine HAVE__FSEEKI64
200 /* Define to 1 if you have the m library (-lm). */
201 #cmakedefine HAVE_LIBM
203 /* Define to 1 if you have the mkl library (-lmkl). */
204 #cmakedefine HAVE_LIBMKL
206 /* Define to 1 if you have the gsl library (-lgsl). */
207 #cmakedefine HAVE_LIBGSL
209 /* Define to 1 if you have the dl library (-ldl). */
210 #cmakedefine HAVE_LIBDL
212 /* Have io.h (windows)*/
213 #cmakedefine HAVE_IO_H
215 /* Define to 1 if you have the strcasecmp() function. */
216 #cmakedefine HAVE_STRCASECMP
218 /* Define to 1 if you have the strdup() function. */
219 #cmakedefine HAVE_STRDUP
221 /* Define to 1 if you have the vfprintf() function. */
222 #cmakedefine HAVE_VFPRINTF
224 /* Define to 1 if you have the memcmp() function. */
225 #cmakedefine HAVE_MEMCMP
227 /* Define to 1 if you have the posix_memalign() function. */
228 #cmakedefine HAVE_POSIX_MEMALIGN
230 /* Define to 1 if you have the memalign() function. */
231 #cmakedefine HAVE_MEMALIGN
233 /* Define to 1 if you have the MSVC _aligned_malloc() function. */
234 #cmakedefine HAVE__ALIGNED_MALLOC
236 /* Define to 1 if you have the gettimeofday() function. */
237 #cmakedefine HAVE_GETTIMEOFDAY
239 /* Define to 1 if you have the cbrt() function. */
240 #cmakedefine HAVE_CBRT
242 /* Define to 1 if you have the isnan() function. */
243 #cmakedefine HAVE_ISNAN
245 /* Define to 1 if you have the _isnan() function. */
246 #cmakedefine HAVE__ISNAN
248 /* Define to 1 if you have the isfinite() function. */
249 #cmakedefine HAVE_ISFINITE
251 /* Define to 1 if you have the _isfinite() function. */
252 #cmakedefine HAVE__ISFINITE
254 /* Define to 1 if you have the _finite() function. */
255 #cmakedefine HAVE__FINITE
257 /* Define to 1 if you have the fsync() function. */
258 #cmakedefine HAVE_FSYNC
260 /* Define to 1 if you have the Windows _commit() function. */
261 #cmakedefine HAVE__COMMIT
263 /* Define to 1 if you have the fileno() function. */
264 #cmakedefine HAVE_FILENO
266 /* Define to 1 if you have the _fileno() function. */
267 #cmakedefine HAVE__FILENO
269 /* Define to 1 if you have the sigaction() function. */
270 #cmakedefine HAVE_SIGACTION
272 /* Define to 1 if you have the rsqrt() function. */
273 #cmakedefine HAVE_RSQRT
275 /* Define to 1 if you have the rsqrtf() function. */
276 #cmakedefine HAVE_RSQRTF
278 /* Define to 1 if you have the sqrtf() function. */
279 #cmakedefine HAVE_SQRTF
281 /* Define to 1 if you have the <string.h> header file. */
282 #cmakedefine HAVE_STRING_H
284 /* Define to 1 if yo have the <math.h> header file. */
285 #cmakedefine HAVE_MATH_H
287 /* Define to 1 if yo have the <limits.h> header file. */
288 #cmakedefine HAVE_LIMITS_H
290 /* Define to 1 if yo have the <memory.h> header file. */
291 #cmakedefine HAVE_MEMORY_H
293 /* Define to 1 if yo have the <unistd.h> header file. */
294 #cmakedefine HAVE_UNISTD_H
296 /* Define to 1 if yo have the <direct.h> header file. */
297 #cmakedefine HAVE_DIRECT_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 <stdint.h> header file. */
303 #cmakedefine HAVE_STDINT_H
305 /* Define to 1 if yo have the <stdlib.h> header file. */
306 #cmakedefine HAVE_STDLIB_H
308 /* Define to 1 if yo have the <pthread.h> header file. */
309 #cmakedefine HAVE_PTHREAD_H
311 /* Define to 1 if yo have the <dirent.h> header file. */
312 #cmakedefine HAVE_DIRENT_H
314 /* Define to 1 if yo have the <inttypes.h> header file. */
315 #cmakedefine HAVE_INTTYPES_H
317 /* Define to 1 if yo have the <regex.h> header file. */
318 #cmakedefine HAVE_REGEX_H
320 /* Define to 1 if you have the <sys/types.h> header file. */
321 #cmakedefine HAVE_SYS_TYPES_H
323 /* Define to 1 if you have the <sys/stat.h> header file. */
324 #cmakedefine HAVE_SYS_STAT_H
326 /* Define to 1 if you have the <sys/time.h> header file. */
327 #cmakedefine HAVE_SYS_TIME_H
329 /* Define to 1 if you have the <rpc/rpc.h> header file. */
330 #cmakedefine HAVE_RPC_RPC_H
332 /* Define to 1 if you have the <rpc/xdr.h> header file. */
333 #cmakedefine HAVE_RPC_XDR_H
335 /* Define to 1 if you have the <x86intrin.h> header file */
336 #cmakedefine HAVE_X86INTRIN_H
338 /* Define to 1 if you have the <intrin.h> header file */
339 #cmakedefine HAVE_INTRIN_H
341 /* Define to 1 if you have the <sched.h> header */
342 #cmakedefine HAVE_SCHED_H
344 /* Define to 1 if you have the vprintf() function. */
345 #cmakedefine HAVE_VPRINTF
347 /* Define to 1 if you have the sysconf() function */
348 #cmakedefine HAVE_SYSCONF
350 /* Define to 1 if you have the sched_getaffinity() function */
351 #cmakedefine HAVE_SCHED_GETAFFINITY
353 /* Define to 1 if you have the sched_setaffinity() function */
354 #cmakedefine HAVE_SCHED_SETAFFINITY
356 /* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.
357 Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
358 #cmakedefine GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
360 /* The two words in a double precision variable are in b ig-endian order if
361 set, little-endian if not. Do NOT assume this is the same as the byte
362 order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
363 #cmakedefine GMX_IEEE754_BIG_ENDIAN_WORD_ORDER
365 /* Define if SIGUSR1 is present */
366 #cmakedefine HAVE_SIGUSR1
368 /* The size of int, as computed by sizeof. */
369 #cmakedefine SIZEOF_INT @SIZEOF_INT@
371 /* The size of long int, as computed by sizeof. */
372 #cmakedefine SIZEOF_LONG_INT @SIZEOF_LONG_INT@
374 /* The size of long long int, as computed by sizeof. */
375 #cmakedefine SIZEOF_LONG_LONG_INT @SIZEOF_LONG_LONG_INT@
377 /* The size of off_t, as computed by sizeof. */
378 #cmakedefine SIZEOF_OFF_T @SIZEOF_OFF_T@
380 /* The size of void*, as computed by sizeof. */
381 #cmakedefine SIZEOF_VOIDP @SIZEOF_VOIDP@
383 /* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
384 #cmakedefine _LARGEFILE_SOURCE
386 /* Define for large files, on AIX-style hosts. */
387 #cmakedefine _LARGE_FILES
389 /* Some systems requires this to be set to 64 for large file support */
390 #cmakedefine _FILE_OFFSET_BITS @_FILE_OFFSET_BITS@
392 /* Gromacs shortcut define for fseeko & ftello being present with 64-bit support */
393 #cmakedefine GMX_LARGEFILES
395 /* Define to int if <sys/types.h> does not define. */
396 #cmakedefine gid_t int
398 /* Define to __inline__ or __inline if that is what the C compiler
399 calls it, or to nothing if inline is not supported under any name.
400 Please do NOT remove the gmx_inline keyword from here. The classical
401 C++ inline keyword is merely a recommendation to the compiler, and
402 many compilers support stronger alternatives (e.g. __forceinline)
403 that we might want to use. */
404 #define gmx_inline ${INLINE_KEYWORD}
406 #define inline ${INLINE_KEYWORD}
409 /* Define to __restrict__ or __restrict if that is what the C compiler
410 calls it, unless we are on C99 when it is simply called restrict.
411 Since restrict is a reserved key word in C99 we are not allowed to
412 redefine the word itself, so call this gmx_restrict to avoid having
413 to identify the language standard level. If it is not supported, it
414 is still defined to an empty string here. */
415 #define gmx_restrict ${RESTRICT_KEYWORD}
423 /* Define to long int if <sys/types.h> does not define. */
424 #cmakedefine off_t int
426 /* Define to unsigned int if <sys/types.h> does not define. */
427 #cmakedefine size_t int
429 /* Define to int if <sys/types.h> does not define. */
430 #cmakedefine uid_t int
432 /* Build special-purpose mdrun library */
433 #cmakedefine GMX_FAHCORE
436 #define FULLINDIRECT 1
437 #define USE_FAH_XDR 1
438 #include "swindirect.h"
441 /* Define if we have pipes */
442 #cmakedefine HAVE_PIPES
445 /* Catch stupid CMake problems on OS X */
447 # if ((defined(__LP64__) && __LP64__ && defined(SIZEOF_VOIDP) && SIZEOF_VOIDP<8) || ( (!defined(__LP64__) || __LP64__==0) && (defined(SIZEOF_VOIDP) && SIZEOF_VOIDP>4)))
448 # error "Inconsistency between current OS X architecture and the one used to generate original"
449 # error "CMake configuration. This is probably caused by starting CMake with the default value"
450 # error "for CMAKE_OSX_ARCHITECTURES (blank), and then changing it. In this case all the tests"
451 # error "will have been performed with the original (now incorrect) architecture."
452 # error "To fix this, set CMAKE_OSX_ARCHITECTURES on the _command_line_ before starting CMake,"
453 # error "or create a new such entry with your choice in the GUI _before_ hitting 'configure'."