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 /* Hardware and OS version for build host */
26 #define BUILD_HOST "@BUILD_HOST@"
28 /* CPU information for build host */
29 #define BUILD_CPU_VENDOR "@BUILD_CPU_VENDOR@"
31 #define BUILD_CPU_BRAND "@BUILD_CPU_BRAND@"
33 #define BUILD_CPU_FAMILY @BUILD_CPU_FAMILY@
35 #define BUILD_CPU_MODEL @BUILD_CPU_MODEL@
37 #define BUILD_CPU_STEPPING @BUILD_CPU_STEPPING@
39 #define BUILD_CPU_FEATURES "@BUILD_CPU_FEATURES@"
41 /* Compiler and CFLAGS from build */
42 #define BUILD_COMPILER "@BUILD_COMPILER@"
44 #define BUILD_CFLAGS "@BUILD_CFLAGS@"
46 /* Date and time for build */
47 #define BUILD_TIME "@BUILD_TIME@"
49 /* User doing build */
50 #define BUILD_USER "@BUILD_USER@"
52 /* Binary suffix for the created binaries */
53 #define GMX_BINARY_SUFFIX "@GMX_BINARY_SUFFIX@"
55 /* Source directory for the build */
56 #cmakedefine CMAKE_SOURCE_DIR "@CMAKE_SOURCE_DIR@"
58 /* Binary directory for the build */
59 #cmakedefine CMAKE_BINARY_DIR "@CMAKE_BINARY_DIR@"
61 /* Turn off water-water neighborlist optimization only - not used right now */
62 #cmakedefine DISABLE_WATERWATER_NLIST
64 /* Turn off all water neighborlist optimization - not used right now */
65 #cmakedefine DISABLE_WATER_NLIST
68 #cmakedefine GMX_FORTRAN
70 /* Define to a macro mangling the given C identifier (in lower and upper
71 case), which must not contain underscores, for linking with Fortran. */
72 #define F77_FUNC(name,NAME) @F77_FUNCDEF@
74 /* IEEE754 floating-point format. Memory layout is defined by macros
75 * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER.
77 #cmakedefine GMX_FLOAT_FORMAT_IEEE754
79 /* Use assembly intrinsics kernels for BlueGene */
80 #cmakedefine GMX_BLUEGENE
82 /* Power6 acceleration */
83 #cmakedefine GMX_POWER6
85 /* Work around broken calloc() */
86 #cmakedefine GMX_BROKEN_CALLOC
88 /* Enable special hacks for Cray XT3 */
89 #cmakedefine GMX_CRAY_XT3
91 /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
92 #cmakedefine GMX_DISABLE_FFTW_MEASURE
94 /* Compile in double precision */
95 #cmakedefine GMX_DOUBLE
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 /* Use AMD core math library */
107 #cmakedefine GMX_FFT_ACML
109 /* What type of acceleration is used? (string, for dumping to files) */
110 #define GMX_ACCELERATION "@GMX_ACCELERATION@"
112 /* SSE2 acceleration */
113 #cmakedefine GMX_X86_SSE2
115 /* SSE4.1 acceleration */
116 #cmakedefine GMX_X86_SSE4_1
118 /* AVX 128-bit acceleration with FMA, useful on modern AMD hardware */
119 #cmakedefine GMX_X86_AVX_128_FMA
121 /* AVX 256-bit acceleration, usually for intel hardware */
122 #cmakedefine GMX_X86_AVX_256
124 /* Integer byte order is big endian. */
125 #cmakedefine GMX_INTEGER_BIG_ENDIAN
127 /* Use our own instead of system XDR libraries */
128 #cmakedefine GMX_INTERNAL_XDR
130 /* Use MPI (with mpicc) for parallelization */
131 #cmakedefine GMX_LIB_MPI
133 /* MPI_IN_PLACE exists for collective operations */
134 #cmakedefine MPI_IN_PLACE_EXISTS
136 /* Make a parallel version of GROMACS using message passing
137 (MPI or thread_mpi) */
140 /* Use threads_mpi for parallelization */
141 #cmakedefine GMX_THREAD_MPI
143 /* Use OpenMP multithreading */
144 #cmakedefine GMX_OPENMP
146 /* Use old threading (domain decomp force calc) code */
147 #cmakedefine GMX_THREAD_SHM_FDECOMP
149 /* Ignore calls to nice(3) */
150 #cmakedefine GMX_NO_NICE
152 /* Ignore calls to system(3) */
153 #cmakedefine GMX_NO_SYSTEM
155 /* Use (modified) Gamess-UK for QM-MM calculations */
156 #cmakedefine GMX_QMMM_GAMESS
158 /* Use (modified) Gaussian0x for QM-MM calculations */
159 #cmakedefine GMX_QMMM_GAUSSIAN
161 /* Use (modified) Mopac 7 for QM-MM calculations */
162 #cmakedefine GMX_QMMM_MOPAC
164 /* Use the GROMACS software 1/sqrt(x) */
165 #cmakedefine GMX_SOFTWARE_INVSQRT
167 /* Use the PowerPC hardware 1/sqrt(x) */
168 #cmakedefine GMX_POWERPC_INVSQRT
170 /* Compile with plugin support */
171 #cmakedefine GMX_USE_PLUGINS
173 /* Fallback path for VMD plug-ins */
174 #define GMX_VMD_PLUGIN_PATH "@GMX_VMD_PLUGIN_PATH@"
176 /* Define when pthreads are used */
177 #cmakedefine THREAD_PTHREADS
179 /* Define when Windows threads are used */
180 #cmakedefine THREAD_WINDOWS
182 /* Define for busy wait option */
183 #cmakedefine TMPI_WAIT_FOR_NO_ONE
185 /* Define for copy buffer option */
186 #cmakedefine TMPI_COPY_BUFFER
188 /* Define for profiling option */
189 #cmakedefine TMPI_PROFILE
191 /* Define for Linux pthread_setaffinity */
192 #cmakedefine HAVE_PTHREAD_SETAFFINITY
194 /* Define for sysconf() */
195 #cmakedefine HAVE_SYSCONF
197 /* Enable x86 gcc inline assembly */
198 #cmakedefine GMX_X86_GCC_INLINE_ASM
200 /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
201 #cmakedefine HAVE_FSEEKO
203 /* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
204 #cmakedefine HAVE__FSEEKI64
206 /* Define to 1 if you have the gsl library (-lgsl). */
207 #cmakedefine HAVE_LIBGSL
209 /* Have io.h (windows)*/
210 #cmakedefine HAVE_IO_H
212 /* Define to 1 if you have the strdup() function. */
213 #cmakedefine HAVE_STRDUP
215 /* Define to 1 if you have the posix_memalign() function. */
216 #cmakedefine HAVE_POSIX_MEMALIGN
218 /* Define to 1 if you have the memalign() function. */
219 #cmakedefine HAVE_MEMALIGN
221 /* Define to 1 if you have the MSVC _aligned_malloc() function. */
222 #cmakedefine HAVE__ALIGNED_MALLOC
224 /* Define to 1 if you have the gettimeofday() function. */
225 #cmakedefine HAVE_GETTIMEOFDAY
227 /* Define to 1 if you have the cbrt() function. */
228 #cmakedefine HAVE_CBRT
230 /* Define to 1 if you have the isfinite() function. */
231 #cmakedefine HAVE_ISFINITE
233 /* Define to 1 if you have the _isfinite() function. */
234 #cmakedefine HAVE__ISFINITE
236 /* Define to 1 if you have the _finite() function. */
237 #cmakedefine HAVE__FINITE
239 /* Define to 1 if you have the fsync() function. */
240 #cmakedefine HAVE_FSYNC
242 /* Define to 1 if you have the Windows _commit() function. */
243 #cmakedefine HAVE__COMMIT
245 /* Define to 1 if you have the fileno() function. */
246 #cmakedefine HAVE_FILENO
248 /* Define to 1 if you have the _fileno() function. */
249 #cmakedefine HAVE__FILENO
251 /* Define to 1 if you have the lstat() function. */
252 #cmakedefine HAVE_LSTAT
254 /* Define to 1 if you have the sigaction() function. */
255 #cmakedefine HAVE_SIGACTION
257 /* Define to 1 if yo have the <unistd.h> header file. */
258 #cmakedefine HAVE_UNISTD_H
260 /* Define to 1 if yo have the <pwd.h> header file. */
261 #cmakedefine HAVE_PWD_H
263 /* Define to 1 if yo have the <pthread.h> header file. */
264 #cmakedefine HAVE_PTHREAD_H
266 /* Define to 1 if yo have the <dirent.h> header file. */
267 #cmakedefine HAVE_DIRENT_H
269 /* Define to 1 if yo have the <regex.h> header file. */
270 #cmakedefine HAVE_REGEX_H
272 /* Define to 1 if you have the <sys/types.h> header file. */
273 #cmakedefine HAVE_SYS_TYPES_H
275 /* Define to 1 if you have the <sys/time.h> header file. */
276 #cmakedefine HAVE_SYS_TIME_H
278 /* Define to 1 if you have the <x86intrin.h> header file */
279 #cmakedefine HAVE_X86INTRIN_H
281 /* Define for sched.h (this is for thread_mpi)*/
284 /* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.
285 Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
286 #cmakedefine GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER
288 /* The two words in a double precision variable are in b ig-endian order if
289 set, little-endian if not. Do NOT assume this is the same as the byte
290 order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */
291 #cmakedefine GMX_IEEE754_BIG_ENDIAN_WORD_ORDER
293 /* Define if SIGUSR1 is present */
294 #cmakedefine HAVE_SIGUSR1
296 /* The size of int, as computed by sizeof. */
297 #cmakedefine SIZEOF_INT @SIZEOF_INT@
299 /* The size of long int, as computed by sizeof. */
300 #cmakedefine SIZEOF_LONG_INT @SIZEOF_LONG_INT@
302 /* The size of long long int, as computed by sizeof. */
303 #cmakedefine SIZEOF_LONG_LONG_INT @SIZEOF_LONG_LONG_INT@
305 /* The size of off_t, as computed by sizeof. */
306 #cmakedefine SIZEOF_OFF_T @SIZEOF_OFF_T@
308 /* The size of void*, as computed by sizeof. */
309 #cmakedefine SIZEOF_VOIDP @SIZEOF_VOIDP@
311 /* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
312 #cmakedefine _LARGEFILE_SOURCE
314 /* Define for large files, on AIX-style hosts. */
315 #cmakedefine _LARGE_FILES
317 /* Some systems requires this to be set to 64 for large file support */
318 #cmakedefine _FILE_OFFSET_BITS @_FILE_OFFSET_BITS@
320 /* Define to __inline__ or __inline if that is what the C compiler
321 calls it, or to nothing if inline is not supported under any name. */
323 #define inline ${INLINE_KEYWORD}
326 /* Build special-purpose mdrun library */
327 #cmakedefine GMX_FAHCORE
330 #define FULLINDIRECT 1
331 #define USE_FAH_XDR 1
332 #include "swindirect.h"
335 /* Define if we have pipes */
336 #cmakedefine HAVE_PIPES
338 /* Catch stupid CMake problems on OS X */
340 # if ((defined(__LP64__) && __LP64__ && defined(SIZEOF_VOIDP) && SIZEOF_VOIDP<8) || ( (!defined(__LP64__) || __LP64__==0) && (defined(SIZEOF_VOIDP) && SIZEOF_VOIDP>4)))
341 # error "Inconsistency between current OS X architecture and the one used to generate original"
342 # error "CMake configuration. This is probably caused by starting CMake with the default value"
343 # error "for CMAKE_OSX_ARCHITECTURES (blank), and then changing it. In this case all the tests"
344 # error "will have been performed with the original (now incorrect) architecture."
345 # error "To fix this, set CMAKE_OSX_ARCHITECTURES on the _command_line_ before starting CMake,"
346 # error "or create a new such entry with your choice in the GUI _before_ hitting 'configure'."