GROMACS

/* Manually created from config.h.in to work with cmake */

/* Disable warnings about double-to-float conversion accuracy loss on MSVC */

#ifdef _MSC_VER

#pragma warning (disable : 4305)

#pragma warning (disable : 4244)

#pragma warning (disable : 4101)

#pragma warning (disable : 4996)

#pragma warning (disable : 4267)

#pragma warning (disable : 4090)

#endif

/* Name of package (translate from cmake to autoconf macro name) */

#define PACKAGE  "Gromacs"

/* Version number of package (translate from cmake to autoconf macro name) */

#define VERSION  "4.5.2-dev"

/* Use the version string from generated version.h */

#define USE_VERSION_H

/* Default location of data files */

#define GMXLIBDIR "/home/rdiv1001/gromacs_4.5.2_git_cmake/share/gromacs/top"

/* Hardware and OS version for build host */

#define BUILD_MACHINE "@TMP_MACHINE@"

/* Date and time for build */

#define BUILD_TIME "@TMP_TIME@"

/* User doing build */

#define BUILD_USER "jalemkul@sysx1.arc-int.vt.edu [CMAKE]"

/* Turn off water-water neighborlist optimization only */

/* #undef DISABLE_WATERWATER_NLIST */

/* Turn off all water neighborlist optimization */

/* #undef DISABLE_WATER_NLIST */

/* Fortran support */

/* #undef GMX_FORTRAN */

/* Define to a macro mangling the given C identifier (in lower and upper

   case), which must not contain underscores, for linking with Fortran. */

#define F77_FUNC(name,NAME)     name ## _

/* As F77_FUNC, but for C identifiers containing underscores. */

#define F77_FUNC_(name,NAME)    name ## _

/* Use the d prefix on fftw2 includes */

/* #undef FFTW2_NAME_DFFTW */

/* Dont use any prefix on fftw2 includes */

/* #undef FFTW2_NAME_FFTW */

/* Use the s prefix on fftw2 includes */

/* #undef FFTW2_NAME_SFFTW */

/* IEEE754 floating-point format. Memory layout is defined by macros

 * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER. 

 */

#define GMX_FLOAT_FORMAT_IEEE754

/* Use assembly intrinsics kernels for BlueGene */

/* #undef GMX_BLUEGENE */

/* Power6 acceleration */

/* #undef GMX_POWER6 */

/* Work around broken calloc() */

/* #undef GMX_BROKEN_CALLOC */

/* Enable special hacks for Cray XT3 */

/* #undef GMX_CRAY_XT3 */

/* Do not optimize FFTW setups (not needed with SSE FFT kernels) */

/* #undef GMX_DISABLE_FFTW_MEASURE */

/* Compile in double precision */

/* #undef GMX_DOUBLE */

/* Use Built-in FFTPACK FFT library */

/* #undef GMX_FFT_FFTPACK */

/* Use FFTW2 FFT library */

/* #undef GMX_FFT_FFTW2 */

/* Use FFTW3 FFT library */

#define GMX_FFT_FFTW3

/* Use Intel MKL FFT library */

/* #undef GMX_FFT_MKL */

/* Use AMD core math library */

/* #undef GMX_FFT_ACML */

/* Single-precision SSE instructions on ia32 */

/* #undef GMX_IA32_SSE */

/* Double-precision SSE2 instructions on ia32 */

/* #undef GMX_IA32_SSE2 */

/* Use ia64 assembly tuned for Itanium2 */

/* #undef GMX_IA64_ASM */

/* Integer byte order is big endian. */

#define GMX_INTEGER_BIG_ENDIAN 

/* Use our own instead of system XDR libraries */

/* #undef GMX_INTERNAL_XDR */

/* Use MPI (with mpicc) for parallelization */

#define GMX_LIB_MPI

/* MPI_IN_PLACE exists for collective operations */

/* #undef MPI_IN_PLACE_EXISTS */

/* Make a parallel version of GROMACS using message passing 

   (MPI or thread_mpi) */

#define GMX_MPI

/* Use threads for parallelization */

/* #undef GMX_THREADS */

/* Use old threading (domain decomp force calc) code */

/* #undef GMX_THREAD_SHM_FDECOMP */

/* Ignore calls to nice(3) */

/* #undef GMX_NO_NICE */

/* Ignore calls to system(3) */

/* #undef GMX_NO_SYSTEM */

/* Use PowerPC Altivec inner loops */

/* #undef GMX_PPC_ALTIVEC */

/* Use (modified) Gamess-UK for QM-MM calculations */

/* #undef GMX_QMMM_GAMESS */

/* Use (modified) Gaussian0x for QM-MM calculations */

/* #undef GMX_QMMM_GAUSSIAN */

/* Use (modified) Mopac 7 for QM-MM calculations */

/* #undef GMX_QMMM_MOPAC */

/* Use the GROMACS software 1/sqrt(x) */

#define GMX_SOFTWARE_INVSQRT

/* Use the PowerPC hardware 1/sqrt(x) */

#define GMX_POWERPC_INVSQRT

/* Compile with dlopen */

#define GMX_DLOPEN

/* Define when pthreads are used */

/* #undef THREAD_PTHREADS */

/* Define when Windows threads are used */

/* #undef THREAD_WINDOWS */

/* Define for busy wait option  */

/* #undef TMPI_WAIT_FOR_NO_ONE */

/* Define for copy buffer option */

/* #undef TMPI_COPY_BUFFER */

/* Define for profiling option */

/* #undef TMPI_PROFILE */

/* Define for sysconf() */

/* #undef HAVE_SYSCONF */

/* Define for GetSystemInfo() */

/* #undef HAVE_SYSTEM_INFO */

/* Single-precision SSE instructions on X86_64 */

/* #undef GMX_X86_64_SSE */

/* Double-precision SSE2 instructions on X86_64 */

/* #undef GMX_X86_64_SSE2 */

/* Enable x86 gcc inline assembly */

/* #undef GMX_X86_GCC_INLINE_ASM */

/* Enable x86 MSVC inline assembly */

/* #undef GMX_X86_MSVC_INLINE_ASM */

/* Support for SSE intrinsics */

/* #undef GMX_SSE */

/* Support for SSE2 intrinsics */

/* #undef GMX_SSE2 */

/* Support for SSE3 intrinsics */

/* #undef GMX_SSE3 */

/* Support for SSE4.1 intrinsics */

/* #undef GMX_SSE4_1 */

/* Define to 1 if you have the <altivec.h> header file. */

/* #undef HAVE_ALTIVEC_H */

/* Define to 1 if the system has the type gmx_bool. */

/* #undef HAVE_BOOL */

/* Define to 1 if fseeko (and presumably ftello) exists and is declared. */

#define HAVE_FSEEKO

/* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */

/* #undef HAVE__FSEEKI64 */

/* Define to 1 if you have the m library (-lm). */

#define HAVE_LIBM

/* Define to 1 if you have the mkl library (-lmkl). */

/* #undef HAVE_LIBMKL */

/* Define to 1 if you have the xml2 library (-lxml2). */

#define HAVE_LIBXML2

/* Define to 1 if you have the dl library (-ldl). */

/* #undef HAVE_LIBDL */

/* Have io.h (windows)*/

/* #undef HAVE_IO_H */

/* Define to 1 if you have the strcasecmp() function. */

#define HAVE_STRCASECMP

/* Define to 1 if you have the strdup() function. */

#define HAVE_STRDUP

/* Define to 1 if you have the vfprintf() function. */

/* #undef HAVE_VFPRINTF */

/* Define to 1 if you have the memcmp() function. */

#define HAVE_MEMCMP

/* Define to 1 if you have the posix_memalign() function. */

/* #undef HAVE_POSIX_MEMALIGN */

/* Define to 1 if you have the memalign() function. */

/* #undef HAVE_MEMALIGN */

/* Define to 1 if you have the MSVC _aligned_malloc() function. */

/* #undef HAVE__ALIGNED_MALLOC */

/* Define to 1 if you have the gettimeofday() function. */

#define HAVE_GETTIMEOFDAY

/* Define to 1 if you have the cbrt() function. */

#define HAVE_CBRT

/* Define to 1 if you have the isnan() function. */

#define HAVE_ISNAN

/* Define to 1 if you have the _isnan() function. */

/* #undef HAVE__ISNAN */

/* Define to 1 if you have the isfinite() function. */

/* #undef HAVE_ISFINITE */

/* Define to 1 if you have the _isfinite() function. */

/* #undef HAVE__ISFINITE */

/* Define to 1 if you have the fsync() function. */

#define HAVE_FSYNC

/* Define to 1 if you have the Windows _commit() function. */

/* #undef HAVE__COMMIT */

/* Define to 1 if you have the fileno() function. */

#define HAVE_FILENO

/* Define to 1 if you have the _fileno() function. */

/* #undef HAVE__FILENO */

/* Define to 1 if you have the <string.h> header file. */

#define HAVE_STRING_H

/* Define to 1 if yo have the <math.h> header file. */

#define HAVE_MATH_H

/* Define to 1 if yo have the <limits.h> header file. */

#define HAVE_LIMITS_H

/* Define to 1 if yo have the <memory.h> header file. */

#define HAVE_MEMORY_H

/* Define to 1 if yo have the <unistd.h> header file. */

#define HAVE_UNISTD_H

/* Define to 1 if yo have the <pwd.h> header file. */

#define HAVE_PWD_H

/* Define to 1 if yo have the <stdint.h> header file. */

#define HAVE_STDINT_H

/* Define to 1 if yo have the <stdlib.h> header file. */

#define HAVE_STDLIB_H

/* Define to 1 if yo have the <pthread.h> header file. */

#define HAVE_PTHREAD_H

/* Define to 1 if yo have the <dirent.h> header file. */

#define HAVE_DIRENT_H

/* Define to 1 if yo have the <inttypes.h> header file. */

#define HAVE_INTTYPES_H

/* Define to 1 if yo have the <regex.h> header file. */

/* #undef HAVE_REGEX_H */

/* Define to 1 if you have the <sys/types.h> header file. */

#define HAVE_SYS_TYPES_H

/* Define to 1 if you have the <sys/stat.h> header file. */

#define HAVE_SYS_STAT_H

/* Define to 1 if you have the <sys/time.h> header file. */

#define HAVE_SYS_TIME_H

/* Define to 1 if you have the <rpc/rpc.h> header file. */

#define HAVE_RPC_RPC_H

/* Define to 1 if you have the <rpc/xdr.h> header file. */

#define HAVE_RPC_XDR_H

/* Define to 1 if yo have the <xmmintrin.h> header file. */

/* #undef HAVE_XMMINTRIN_H */

/* Define to 1 if yo have the <emmintrin.h> header file. */

/* #undef HAVE_EMMINTRIN_H */

/* Define to 1 if yo have the <pmmintrin.h> header file. */

/* #undef HAVE_PMMINTRIN_H */

/* Define to 1 if yo have the <smmintrin.h> header file. */

/* #undef HAVE_SMMINTRIN_H */

/* Define for sched.h (this is for thread_mpi)*/

#define HAVE_SCHED_H

/* Define to 1 if you have the vprintf() function. */

#define HAVE_VPRINTF

/* Bytes in IEEE fp word are in big-endian order if set, little-endian if not.

   Only relevant when FLOAT_FORMAT_IEEE754 is defined. */

#define GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER

/* The two words in a double precision variable are in b ig-endian order if

   set, little-endian if not. Do NOT assume this is the same as the byte

   order! Only relevant when FLOAT_FORMAT_IEEE754 is defined. */

#define GMX_IEEE754_BIG_ENDIAN_WORD_ORDER

/* Define as the return type of signal handlers (int or void). */

#define RETSIGTYPE void

/* Define if SIGUSR1 is present */

#define HAVE_SIGUSR1

/* The size of int, as computed by sizeof. */

#define SIZEOF_INT 4

/* The size of long int, as computed by sizeof. */

#define SIZEOF_LONG_INT 4

/* The size of long long int, as computed by sizeof. */

#define SIZEOF_LONG_LONG_INT 8

/* The size of off_t, as computed by sizeof. */

#define SIZEOF_OFF_T 8

/* The size of void*, as computed by sizeof. */

#define SIZEOF_VOIDP 4

/* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */

/* #undef _LARGEFILE_SOURCE */

/* Define for large files, on AIX-style hosts. */

/* #undef _LARGE_FILES */

/* Some systems requires this to be set to 64 for large file support */

/* #undef _FILE_OFFSET_BITS */

/* Gromacs shortcut define for fseeko & ftello being present with 64-bit support */

#define GMX_LARGEFILES

/* Define to int if <sys/types.h> does not define. */

/* #undef gid_t */

/* Define to __inline__ or __inline if that is what the C compiler

   calls it, or to nothing if inline is not supported under any name.  */

#ifndef __cplusplus

#define inline 

#endif

/* Define to __restrict__ or __restrict if that is what the C compiler

   calls it, or to nothing if restrict is not supported under any name.  */

#define restrict 

#ifndef CPLUSPLUS

#ifdef __cplusplus

#define CPLUSPLUS

#endif

#endif  

/* Define to long int if <sys/types.h> does not define. */                    

/* #undef off_t */

/* Define to unsigned int if <sys/types.h> does not define. */

/* #undef size_t */

/* Define to int if <sys/types.h> does not define. */

/* #undef uid_t */

/* Build special-purpose mdrun library */

/* #undef GMX_FAHCORE */

#ifdef GMX_FAHCORE

#define FULLINDIRECT 1

#define USE_FAH_XDR  1

#include "swindirect.h"

#endif

/* Define if we have pipes */

#define HAVE_PIPES

/* Catch stupid CMake problems on OS X */

#ifdef __APPLE__

#  if ((defined(__LP64__) && __LP64__ && defined(SIZEOF_VOIDP) && SIZEOF_VOIDP<8) || ( (!defined(__LP64__) || __LP64__==0) && (defined(SIZEOF_VOIDP) && SIZEOF_VOIDP>4)))

#    error "Inconsistency between current OS X architecture and the one used to generate original" 

#    error "CMake configuration. This is probably caused by starting CMake with the default value"

#    error "for CMAKE_OSX_ARCHITECTURES (blank), and then changing it. In this case all the tests"

#    error "will have been performed with the original (now incorrect) architecture."

#    error "To fix this, set CMAKE_OSX_ARCHITECTURES on the _command_line_ before starting CMake,"

#    error "or create a new such entry with your choice in the GUI _before_ hitting 'configure'."

#  endif

#endif