Bug#872849: [Debichem-devel] Bug#872849: psi4: Reconfigure libderiv for higher angular momentum

2017-08-27 Thread Georg Colle
On Mon, 21 Aug 2017 22:14:52 +0200 Michael Banck wrote: > Hi, >  > On Mon, Aug 21, 2017 at 10:02:07PM +0200, Georg wrote: > > Package: psi4 > > Version: 1:1.0-1+b1 > > Severity: normal > >  > > Dear Maintainer, > >* What led up to the situation? > > Running a KS/CC-PVQZ H2O

Bug#872849: [Debichem-devel] Bug#872849: psi4: Reconfigure libderiv for higher angular momentum

2017-08-21 Thread Michael Banck
Hi, On Mon, Aug 21, 2017 at 10:02:07PM +0200, Georg wrote: > Package: psi4 > Version: 1:1.0-1+b1 > Severity: normal > > Dear Maintainer, >* What led up to the situation? > Running a KS/CC-PVQZ H2O computation with geometry optimisation >* What exactly did you do (or not do) that was