Как скомпилировать исходник Gromacs на Windows

/* Only use this file if you are compiling Gromacs in a
* native Microsoft Windows Enviroment. You should NOT
* use it for cygwin.
*
* And, DO read this text before building things :-)
*
* First, if you are using visual C++ you could try to
* download the build workspace files from ftp.gromacs.org.
* You can find them in the pub/developer directory.
*
* Even if you are using the build workspace - first
* copy config.win to config.h in the src directory, and
* make sure the Gromacs version defined in that file is
* the same as in configure.ac.
*
* (Dont rename it since config.h can be overwritten
* by the configure script if you later use e.g. cygwin).
*
* You will also need the FFTW libraries for windows. Grab
* the precompiled version from ftp.gromacs.org/pub/developer,
* or use the build environment from the same place and compile
* it yourself. Place the libraries and include files somewhere
* where they are included automatically, e.g.
* \program files\Microsoft Visual Studio\VC98\Include,Lib
*
* I don't plan on updating the build environment, so you might
* find that filenames, etc, have changed. In that case, here's
* a short description of how to do it:
*
* Always define -DHAVE_CONFIG_H when you build, and include
* the current, src (..) and the include directories. Use optimization
* flags :-)
*
* 1. Build the innerloop generating program in the gmxlib
* directory. Use all the mkinl*.c sources and metacode.c
* Call the output program 'mkinl'.
*
* 2. Run it as 'mkinl c' to create the inner loops in
* the file innerc.c.
*
* 3. Compile gmxlib into a library. Look at the filelists
* in Makefile.am to see which files should be in it.
* In general, include everything except xml stuff
* (*xml*, it will have to wait for gmx4), powerpc specific
* stuff (*altivec*), motif stuff (*mgmx*, widget*),
* fortran files (f77*), and of course the innerloop files
* (mkinl*, metacode*). Don't use the fortran sources.
*
* Include the assembly file x86_cpuid.s. If you use
* single precision you should also use x86_sse.s and
* x86_3dnow.s, and for double prec. x86_sse2.s instead.
* To build these files you need the free 'nasm' assembler.
* You can find a version that supports extended 3dnow and sse
* at the gromacs ftp site. Use it like:
*
* nasm -f win32 x86_cpuid.s
*
* 4. Build the mdlib library from all the files in
* src/mdlib. Skip the fortran files (*.f).
*
* 5. Compile and link all the programs in kernel and
* tools. They should all be linked with the two
* libraries above. Look at the Makefile.am in each
* directory for descriptions of which files are
* included in each binary. For instance, mdrun consists of the files:
*
* glaasje.c gctio.c init_sh.c ionize.c do_gct.c relax_sh.c
* xutils.c md.c mdrun.c genalg.c
*/

/* You might have to update the version number in this file.
* To compile in double precision:
* 1) Define GMX_DOUBLE below
* 2) Check that we use the right FFTW name prefix for double below */

#define PACKAGE "gromacs"

#define VERSION "3.1.99"
/* #undef GMX_DOUBLE */

/* This is just the *default* library directory. Before looking here
* the program will try to find it relative to the location of the
* binary you are running. This is only used by grompp and other programs
* that create/edit topologies.
*/
#define GMXLIBDIR "C:\\program files\\gromacs\\share\\top"

/* Windows doesnt have SIGUSR, so we use SIGBREAK instead */
#define SIGUSR1 SIGBREAK

#define RETSIGTYPE void

#ifdef GMX_DOUBLE
# define FFTW_NAME_FFTW
#else
# define FFTW_NAME_SFFTW
#endif
/* You could also use FFTW_NAME_DFFTW for double prec,
* or FFTW_NAME_FFTW for single. You should get compiler warnings
* if your headers don't match, but we do not check the libraries.
*/

#define HAVE_LIMITS_H

#define HAVE_MEMORY_H

#define HAVE_STDLIB_H

#define HAVE_STRDUP

#define HAVE_STRING_H

#define HAVE_SYS_STAT_H

#define HAVE_SYS_TYPES_H

#define HAVE_VPRINTF

#define SOFTWARE_SQRT

#define STDC_HEADERS

/* Remove these defines to disable assembly loops */
#ifdef GMX_DOUBLE
# define USE_X86_SSE2
#else
# define USE_X86_SSE_AND_3DNOW
#endif

#define X_DISPLAY_MISSING

#define NO_PWUID

/* Pipe system calls */
#define popen _popen
#define pclose _pclose

/* not defined in sys/types on windows */
#define gid_t int

/* not defined in sys/types on windows */
#define uid_t int

/* No error function on windows, use our own */
#define erf(x) gmx_erf(x)
#define erfc(x) gmx_erfc(x)

#define inline __inline