+/*
+ * 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.
*
* \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 */
-/* 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 "@PROJECT_NAME@"
-
-/* Version number of package (translate from cmake to autoconf macro name) */
-#define VERSION "@PROJECT_VERSION@"
-
-/* Use extra version information generated with git */
-#cmakedefine GMX_GIT_VERSION_INFO
-
/* Default location of data files */
#define GMXLIB_SEARCH_DIR "@GMXLIB_SEARCH_DIR@"
/* Binary directory for the build */
#cmakedefine CMAKE_BINARY_DIR "@CMAKE_BINARY_DIR@"
-/* Turn off water-water neighborlist optimization only - not used right now */
-#cmakedefine DISABLE_WATERWATER_NLIST
-
-/* Turn off all water neighborlist optimization - not used right now */
-#cmakedefine DISABLE_WATER_NLIST
-
/* IEEE754 floating-point format. Memory layout is defined by macros
* GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER and GMX_IEEE754_BIG_ENDIAN_WORD_ORDER.
*/
/* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
#cmakedefine GMX_DISABLE_FFTW_MEASURE
-/* Compile in double precision */
-#cmakedefine GMX_DOUBLE
-
/* Use Built-in FFTPACK FFT library */
#cmakedefine GMX_FFT_FFTPACK
/* Use Intel MKL FFT library */
#cmakedefine GMX_FFT_MKL
-/* Use AMD core math library */
-#cmakedefine GMX_FFT_ACML
-
/* Target platform is x86 or x86_64 */
-#cmakedefine GMX_IS_X86
+#cmakedefine GMX_TARGET_X86
/* Target platform is BlueGene/Q */
-#cmakedefine GMX_IS_BGQ
+#cmakedefine GMX_TARGET_BGQ
-/* SSE2 instructions available */
-#cmakedefine GMX_X86_SSE2
+/** Define if we are building for Cygwin */
+#cmakedefine GMX_CYGWIN
-/* SSE4.1 instructions available */
-#cmakedefine GMX_X86_SSE4_1
+/** Define if we have sufficient C++11 support */
+#cmakedefine GMX_CXX11
-/* AVX 128-bit FMA instructions available */
-#cmakedefine GMX_X86_AVX_128_FMA
+/* GCC bug in AVX maskload/maskstore arguments - worked around internally */
+#cmakedefine GMX_SIMD_X86_AVX_GCC_MASKLOAD_BUG
-/* AVX 256-bit instructions available */
-#cmakedefine GMX_X86_AVX_256
+/* SSE2 was selected for SIMD instruction set level */
+#cmakedefine GMX_SIMD_X86_SSE2
-/* GCC bug in AVX maskload/maskstore arguments - worked around internally */
-#cmakedefine GMX_X86_AVX_GCC_MASKLOAD_BUG
+/* SSE4.1 was selected as SIMD instructions */
+#cmakedefine GMX_SIMD_X86_SSE4_1
-/* SSE2 was selected as CPU acceleration level */
-#cmakedefine GMX_CPU_ACCELERATION_X86_SSE2
+/* AVX 128-bit FMA was selected as SIMD instructions */
+#cmakedefine GMX_SIMD_X86_AVX_128_FMA
-/* SSE4.1 was selected as CPU acceleration level */
-#cmakedefine GMX_CPU_ACCELERATION_X86_SSE4_1
+/* AVX 256-bit was selected as SIMD instructions */
+#cmakedefine GMX_SIMD_X86_AVX_256
-/* AVX 128-bit FMA was selected as CPU acceleration level */
-#cmakedefine GMX_CPU_ACCELERATION_X86_AVX_128_FMA
+/* AVX2 256-bit SIMD instruction set level was selected */
+#cmakedefine GMX_SIMD_X86_AVX2_256
-/* AVX 256-bit was selected as CPU acceleration level */
-#cmakedefine GMX_CPU_ACCELERATION_X86_AVX_256
+/* 32-bit ARM NEON SIMD instruction set level was selected */
+#cmakedefine GMX_SIMD_ARM_NEON
-/* IBM QPX was selected as CPU acceleration type (e.g. BlueGene/Q) */
-#cmakedefine GMX_CPU_ACCELERATION_IBM_QPX
+/* IBM QPX was selected as SIMD instructions (e.g. BlueGene/Q) */
+#cmakedefine GMX_SIMD_IBM_QPX
/* Fujitsu Sparc64 HPC-ACE SIMD acceleration */
-#cmakedefine GMX_CPU_ACCELERATION_SPARC64_HPC_ACE
+#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@"
-/* String for CPU acceleration choice (for writing to log files and stdout) */
-#define GMX_CPU_ACCELERATION_STRING "@GMX_CPU_ACCELERATION@"
+/* 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
+#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
+/* Make a parallel version of GROMACS using message passing
(MPI or thread_mpi) */
#cmakedefine GMX_MPI
/* 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
#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 Linux pthread_setaffinity_np */
#cmakedefine HAVE_PTHREAD_SETAFFINITY
-/* Define for Windows NUMA-aware allocator functions*/
-#cmakedefine TMPI_WINDOWS_NUMA_API
-
-/* Define for GetSystemInfo() */
-#cmakedefine HAVE_SYSTEM_INFO
-
/* Define for X-Windows */
#cmakedefine GMX_X11
/* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
#cmakedefine HAVE__FSEEKI64
-/* Define to 1 if you have the gsl library (-lgsl). */
-#cmakedefine HAVE_LIBGSL
-
/* Have io.h (windows)*/
#cmakedefine HAVE_IO_H
/* Define to 1 if you have the sysconf() function */
#cmakedefine HAVE_SYSCONF
-/* Define to 1 if you have the sched_getaffinity() function */
-#cmakedefine HAVE_SCHED_GETAFFINITY
-
-/* Define to 1 if you have the sched_setaffinity() function */
-#cmakedefine HAVE_SCHED_SETAFFINITY
+/* 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. */
/* Define if SIGUSR1 is present */
#cmakedefine HAVE_SIGUSR1
-/* The size of int, as computed by sizeof. */
-#cmakedefine SIZEOF_INT @SIZEOF_INT@
-
-/* The size of long int, as computed by sizeof. */
-#cmakedefine SIZEOF_LONG_INT @SIZEOF_LONG_INT@
-
-/* The size of long long int, as computed by sizeof. */
-#cmakedefine SIZEOF_LONG_LONG_INT @SIZEOF_LONG_LONG_INT@
-
-/* The size of off_t, as computed by sizeof. */
-#cmakedefine SIZEOF_OFF_T @SIZEOF_OFF_T@
-
-/* The size of void*, as computed by sizeof. */
-#cmakedefine SIZEOF_VOIDP @SIZEOF_VOIDP@
-
-/* Define to 1 to make fseeko visible on some hosts (e.g. glibc 2.2). */
-#cmakedefine _LARGEFILE_SOURCE
-
-/* Define for large files, on AIX-style hosts. */
-#cmakedefine _LARGE_FILES
-
-/* Some systems requires this to be set to 64 for large file support */
-#cmakedefine _FILE_OFFSET_BITS @_FILE_OFFSET_BITS@
-
-/* 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.
- Please do NOT remove the gmx_inline keyword from here. The classical
- C++ inline keyword is merely a recommendation to the compiler, and
- many compilers support stronger alternatives (e.g. __forceinline)
- that we might want to use. */
-#define gmx_inline ${INLINE_KEYWORD}
-#ifndef __cplusplus
-#define inline ${INLINE_KEYWORD}
-#endif
-
-/* Define to __restrict__ or __restrict if that is what the C compiler
- calls it, unless we are on C99 when it is simply called restrict.
- Since restrict is a reserved key word in C99 we are not allowed to
- redefine the word itself, so call this gmx_restrict to avoid having
- to identify the language standard level. If it is not supported, it
- is still defined to an empty string here. */
-#define gmx_restrict ${RESTRICT_KEYWORD}
-/* Build special-purpose mdrun library */
-#cmakedefine GMX_FAHCORE
-
/* Enable gromacs quotes */
#cmakedefine GMX_COOL_QUOTES
-#ifdef GMX_FAHCORE
-#define FULLINDIRECT 1
-#define USE_FAH_XDR 1
-#include "swindirect.h"
-#endif
-
/* default name mangling maybe wrong on exotic plattforms */
#define F77_FUNC(name,NAME) name ## _
/* Define if we have pipes */
#cmakedefine 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
+/* Define if we have zlib */
+#cmakedefine HAVE_ZLIB
/*! \endcond */
+
+#endif
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff