[ghemical-devel] On MOPAC, g2c.h and header files

[Jean Bréfort]

Le mardi 11 octobre 2005 à 11:50 +0200, Jean Bréfort a écrit :
> Le mardi 11 octobre 2005 à 11:44 +0300, Tommi Hassinen a écrit :

> > I have made the RC2 for download here:
> > 
> >  	http://www.uku.fi/~thassine/tmp/mopac7-1.10rc2.tgz
> 
> It compiles fine with gcc-3.4.4 at least :-)

It did not configure on a machine with gcc-4.0.1 and libf2c but without
libg2c. The reason is that libf2c needs the MAIN__ symbol and this is
not provided by the current AC_CHECK_LIB test. It works if the test is:

saved_flags=$CFLAGS
CFLAGS="-Dmain=MAIN__"
# Here is a check whether we have libf2c or libg2c (Jean Brefort).
# If libf2c is present, it is used and both the library and the
executable is built.
# If only libg2c is present, then only the library is built and the
executable is not built.
have_f2c="no"
AC_CHECK_LIB([f2c], [main], [have_f2c="yes"; CFLAGS=$saved_flags],
	[# If not found, try -lg2c:
	CFLAGS=$saved_flags;
	AC_CHECK_LIB([g2c], [main], ,
		# Still not found, drop out:
		AC_MSG_ERROR([Cannot find either f2c or g2c library])]
	)
)

I have tested this solution with gcc-4.0.1 and f2c and with gcc-3.4.4
and either f2c or g2c. It works in all cases.

Cheers,
Jean