[Debichem-devel] Bug#649381: mpqc: Please enable mp2r12

[Daniel Leidert]

Am Montag, den 21.11.2011, 01:46 +0100 schrieb Michael Banck:
> On Sun, Nov 20, 2011 at 03:26:08PM +0100, Michael Banck wrote:
> > This is because libSCcints and (at least) libSCmbptr12 are not shipped
> > in libsc7.
> 
> Turns out those are only enabled when libint is present:
> 
> |AC_CHECK_HEADERS(libint/libint.h,
> |  AC_CHECK_LIB(int,init_libint_base,
> |    HAVE_LIBINT=yes
> |    AC_DEFINE(HAVE_LIBINT)
> |    AC_SUBST(HAVE_LIBINT)
> |    LIBS="-lint $LIBS"
> |    )
> |  )
> [...]
> |if test ! X$HAVE_LIBR12 = Xyes -o ! X$HAVE_LIBINT = Xyes; then
> |  EXCLUDED_DIRS="-x SRC_LIB_CHEMISTRY_QC_CINTS -x SRC_LIB_CHEMISTRY_QC_MBPTR12 $EXCLUDED_DIRS"
> |fi
> 
> We should really look into getting libint into Debian.

Well libint 1.x is not a big problem (I already started the basic
packaging work some time ago). The configuration stuff is pretty ugly,
but I guess, we can handle it. But the 1.x series is not longer
supported. libint2 is the library to go, but it is (AFAIK) developed
together with/for newer mpqc. I have doubts, if it is really useful to
package libint1. IMO we should really check out, what is necessary to
package current mpqc code and if this mpqc works with all the Debian
packages currently relying on the last mpqc release.

my 2 cents

Regards, Daniel