/* * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 2009,2010,2011,2012,2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. * * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * * GROMACS is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU * Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public * License along with GROMACS; if not, see * http://www.gnu.org/licenses, or write to the Free Software Foundation, * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * * If you want to redistribute modifications to GROMACS, please * consider that scientific software is very special. Version * control is crucial - bugs must be traceable. We will be happy to * consider code for inclusion in the official distribution, but * derived work must not be called official GROMACS. Details are found * in the README & COPYING files - if they are missing, get the * official version at http://www.gromacs.org. * * To help us fund GROMACS development, we humbly ask that you cite * the research papers on the package. Check out http://www.gromacs.org. */ /*! \libinternal \file * \brief * Include file for configuration macros from the build system. * * This header is not installed, so headers must not reference macros defined * here. * * \inlibraryapi */ #ifndef GMX_CONFIG_H #define GMX_CONFIG_H #include "gromacs/utility/gmx_header_config.h" /* TODO: For now, disable Doxygen warnings from here */ /*! \cond */ /* Default location of data files */ #define GMXLIB_SEARCH_DIR "@GMXLIB_SEARCH_DIR@" /* Default location of data files */ #define GMXLIB_FALLBACK "@GMXLIB_FALLBACK@" /* Binary suffix for the created binaries */ #define GMX_BINARY_SUFFIX "@GMX_BINARY_SUFFIX@" /* Source directory for the build */ #cmakedefine CMAKE_SOURCE_DIR "@CMAKE_SOURCE_DIR@" /* Binary directory for the build */ #cmakedefine CMAKE_BINARY_DIR "@CMAKE_BINARY_DIR@" /* IEEE754 floating-point format. Memory layout is defined by macros * GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER. */ #cmakedefine GMX_FLOAT_FORMAT_IEEE754 /* Work around broken calloc() */ #cmakedefine GMX_BROKEN_CALLOC /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */ #cmakedefine GMX_DISABLE_FFTW_MEASURE /* Use Built-in FFTPACK FFT library */ #cmakedefine GMX_FFT_FFTPACK /* Use FFTW3 FFT library */ #cmakedefine GMX_FFT_FFTW3 /* Use Intel MKL FFT library */ #cmakedefine GMX_FFT_MKL /* Target platform is x86 or x86_64 */ #cmakedefine GMX_TARGET_X86 /* Target platform is BlueGene/Q */ #cmakedefine GMX_TARGET_BGQ /** Define if we are building for Cygwin */ #cmakedefine GMX_CYGWIN /** Define if we have sufficient C++11 support */ #cmakedefine GMX_CXX11 /* GCC bug in AVX maskload/maskstore arguments - worked around internally */ #cmakedefine GMX_SIMD_X86_AVX_GCC_MASKLOAD_BUG /* SSE2 was selected for SIMD instruction set level */ #cmakedefine GMX_SIMD_X86_SSE2 /* SSE4.1 was selected as SIMD instructions */ #cmakedefine GMX_SIMD_X86_SSE4_1 /* AVX 128-bit FMA was selected as SIMD instructions */ #cmakedefine GMX_SIMD_X86_AVX_128_FMA /* AVX 256-bit was selected as SIMD instructions */ #cmakedefine GMX_SIMD_X86_AVX_256 /* AVX2 256-bit SIMD instruction set level was selected */ #cmakedefine GMX_SIMD_X86_AVX2_256 /* 32-bit ARM NEON SIMD instruction set level was selected */ #cmakedefine GMX_SIMD_ARM_NEON /* ARM (AArch64) NEON Advanced SIMD instruction set level was selected */ #cmakedefine GMX_SIMD_ARM_NEON_ASIMD /* IBM QPX was selected as SIMD instructions (e.g. BlueGene/Q) */ #cmakedefine GMX_SIMD_IBM_QPX /* IBM VMX was selected as SIMD instructions (Power 6 and later) */ #cmakedefine GMX_SIMD_IBM_VMX /* IBM VSX was selected as SIMD instructions (Power 7 and later) */ #cmakedefine GMX_SIMD_IBM_VSX /* Fujitsu Sparc64 HPC-ACE SIMD acceleration */ #cmakedefine GMX_SIMD_SPARC64_HPC_ACE /* Reference SIMD implementation for testing */ #cmakedefine GMX_SIMD_REFERENCE /* String for SIMD instruction choice (for writing to log files and stdout) */ #define GMX_SIMD_STRING "@GMX_SIMD@" /* Calling convention string (if any) for routines with SIMD variable args */ #define gmx_simdcall @GMX_SIMD_CALLING_CONVENTION@ /* Integer byte order is big endian. */ #cmakedefine GMX_INTEGER_BIG_ENDIAN /* Use our own instead of system XDR libraries */ #cmakedefine GMX_INTERNAL_XDR /* Compile to use TNG library */ #cmakedefine GMX_USE_TNG /* Add support for tracing using Extrae */ #cmakedefine HAVE_EXTRAE /* Use MPI (with mpicc) for parallelization */ #cmakedefine GMX_LIB_MPI /* MPI_IN_PLACE exists for collective operations */ #cmakedefine MPI_IN_PLACE_EXISTS /* Make a parallel version of GROMACS using message passing (MPI or thread_mpi) */ #cmakedefine GMX_MPI /* Use threads_mpi for parallelization */ #cmakedefine GMX_THREAD_MPI /* Use OpenMP multithreading */ #cmakedefine GMX_OPENMP /* Ignore calls to nice(3) */ #cmakedefine GMX_NO_NICE /* Use if can't rename checkpoints */ #cmakedefine GMX_NO_RENAME /* Ignore calls to system(3) */ #cmakedefine GMX_NO_SYSTEM /* Use (modified) Gamess-UK for QM-MM calculations */ #cmakedefine GMX_QMMM_GAMESS /* Use (modified) Gaussian0x for QM-MM calculations */ #cmakedefine GMX_QMMM_GAUSSIAN /* Use (modified) Mopac 7 for QM-MM calculations */ #cmakedefine GMX_QMMM_MOPAC /* Use ORCA for QM-MM calculations */ #cmakedefine GMX_QMMM_ORCA /* Use the GROMACS software 1/sqrt(x) */ #cmakedefine GMX_SOFTWARE_INVSQRT /* Use sub-counters */ #cmakedefine GMX_CYCLE_SUBCOUNTERS /* Compile with plugin support */ #cmakedefine GMX_USE_PLUGINS /* Fallback path for VMD plug-ins */ #define GMX_VMD_PLUGIN_PATH "@GMX_VMD_PLUGIN_PATH@" /* Define when pthreads are used */ #cmakedefine THREAD_PTHREADS /* Define when Windows threads are used */ #cmakedefine THREAD_WINDOWS /* Define native atomic operations are found */ #cmakedefine TMPI_ATOMICS /* Define for busy wait option */ /* See gmxpre-config.h.cmakein for explanation for the #ifdef */ #ifndef TMPI_WAIT_FOR_NO_ONE #cmakedefine TMPI_WAIT_FOR_NO_ONE #endif /* Define for copy buffer option */ #cmakedefine TMPI_COPY_BUFFER /* Define for tmpi warnings option */ #cmakedefine TMPI_WARNINGS /* Define for profiling option */ #cmakedefine TMPI_PROFILE /* Define for Linux pthread_setaffinity_np */ #cmakedefine HAVE_PTHREAD_SETAFFINITY /* Define for X-Windows */ #cmakedefine GMX_X11 /* Enable x86 gcc inline assembly */ #cmakedefine GMX_X86_GCC_INLINE_ASM /* Use GPU native acceleration */ #cmakedefine GMX_GPU /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */ #cmakedefine HAVE_FSEEKO /* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */ #cmakedefine HAVE__FSEEKI64 /* Have io.h (windows)*/ #cmakedefine HAVE_IO_H /* Define to 1 if you have the posix_memalign() function. */ #cmakedefine HAVE_POSIX_MEMALIGN /* Define to 1 if you have the memalign() function. */ #cmakedefine HAVE_MEMALIGN /* Define to 1 if you have the MSVC _aligned_malloc() function. */ #cmakedefine HAVE__ALIGNED_MALLOC /* Define to 1 if you have the clock_gettime() function. */ #cmakedefine HAVE_CLOCK_GETTIME /* Define to 1 if you have the gettimeofday() function. */ #cmakedefine HAVE_GETTIMEOFDAY /* Define to 1 if you have the rdtscp instruction. */ #cmakedefine HAVE_RDTSCP /* Define to 1 if you have the isfinite() function. */ #cmakedefine HAVE_ISFINITE /* Define to 1 if you have the _isfinite() function. */ #cmakedefine HAVE__ISFINITE /* Define to 1 if you have the _finite() function. */ #cmakedefine HAVE__FINITE /* Define to 1 if you have the fsync() function. */ #cmakedefine HAVE_FSYNC /* Define to 1 if you have the Windows _commit() function. */ #cmakedefine HAVE__COMMIT /* Define to 1 if you have the fileno() function. */ #cmakedefine HAVE_FILENO /* Define to 1 if you have the _fileno() function. */ #cmakedefine HAVE__FILENO /* Define to 1 if you have the sigaction() function. */ #cmakedefine HAVE_SIGACTION /* Define to 1 if you have the rsqrt() function. */ #cmakedefine HAVE_RSQRT /* Define to 1 if you have the rsqrtf() function. */ #cmakedefine HAVE_RSQRTF /* Define to 1 if you have the sqrtf() function. */ #cmakedefine HAVE_SQRTF /* Define to 1 if yo have the header file. */ #cmakedefine HAVE_UNISTD_H /* Define to 1 if yo have the header file. */ #cmakedefine HAVE_PWD_H /* Define to 1 if yo have the header file. */ #cmakedefine HAVE_DIRENT_H /* Define to 1 if you have the header file. */ #cmakedefine HAVE_SYS_TIME_H /* Define to 1 if you have the header file */ #cmakedefine HAVE_X86INTRIN_H /* Define to 1 if you have the header file */ #cmakedefine HAVE_INTRIN_H /* Define to 1 if you have the header */ #cmakedefine HAVE_SCHED_H /* Define to 1 if you have the POSIX header file. */ #cmakedefine HAVE_POSIX_REGEX /* Define to 1 if you have the C++11 header file. */ #cmakedefine HAVE_CXX11_REGEX /* Define to 1 if you have the sysconf() function */ #cmakedefine HAVE_SYSCONF /* Define to 1 if you have the all the affinity functions in sched.h */ #cmakedefine HAVE_SCHED_AFFINITY /* Bytes in IEEE fp word are in big-endian order if set, little-endian if not. Only relevant when FLOAT_FORMAT_IEEE754 is defined. */ #cmakedefine 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. */ #cmakedefine GMX_IEEE754_BIG_ENDIAN_WORD_ORDER /* Define if SIGUSR1 is present */ #cmakedefine HAVE_SIGUSR1 /* Enable gromacs quotes */ #cmakedefine GMX_COOL_QUOTES /* default name mangling maybe wrong on exotic plattforms */ #define F77_FUNC(name,NAME) name ## _ /* Define if we have pipes */ #cmakedefine HAVE_PIPES /* Define if we have zlib */ #cmakedefine HAVE_ZLIB /*! \endcond */ #endif