Bug#649381: mpqc: Please enable mp2r12

2011-11-21 Thread Michael Banck
Hi, On Mon, Nov 21, 2011 at 08:38:30AM +0100, Daniel Leidert wrote: > 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. > >

Bug#649381: mpqc: Please enable mp2r12

2011-11-20 Thread 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_HEADE

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

2011-11-20 Thread 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=y

Bug#649381: mpqc: Please enable mp2r12

2011-11-20 Thread Michael Banck
Package: mpqc Version: 2.3.1-10 Severity: wishlist Running mpqc on /usr/share/doc/mpqc/examples/mp2r12ah2o.in results in an error: nighthawk/tmp$ mpqc mp2r12ah2o.in Reading file /usr/share/mpqc/atominfo.kv. MPQC: Massively Parallel Quantum Chemistry