[CP2K:7353] libint cp2k flag inconsistencies

[Michael Banck]

Hi,

On Mon, Jan 18, 2016 at 08:14:00AM -0800, Johannes Wagner wrote:
> sorry to bother with the next toolchain issue: the cp2k install HOWTO on 
> libint says 
> 
> "... hardcoded to the default angular momentum LIBINT_MAX_AM 5 
> -D__LIBINT_MAX_AM and -D__LIBDERIV_MAX_AM1..."
> 
> now libint in the toolchain installer compiles with
> 
> --with-libint-max-am=5 --with-libderiv-max-am1=4
> 
> but the cp2k flags are set to 
> 
> -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5
> 
> which are both one up. Shall this be corrected?

Check the config.h or libint-config.h that you get from configure.  If I
remember correctly, the one-off is intentional and the defined
__LIBINT_MAX_AM values etc. are one larger than what you pass to
configure.

I haven't checked myself now, though.


Michael