[Debichem-devel] disabling PeIGS in libglobalarrays-dev

[Jeff Hammond]

Does the NWChem package actually use the GA package? That requires hacking NWChem build to not use the included GA, unless I’ve missed something. Maybe it’s obvious to you all but I haven’t looked at the Debian build logs in detail.

In any case, I am sorry NWChem and GA are messy. I’ve done my best to help over the past ten years but there is a lot I can’t do for various reasons. 

Jeff

> On Jan 7, 2020, at 8:22 PM, Drew Parsons <dparsons at debian.org> wrote:
> 
> Hi Michael, the ga build has been missing symbols:
> 
>   ./.libs/libga.a(ga_diag.o): In function `gai_diag_std_':
>   ga_diag.F:(.text+0xc65): undefined reference to `fmemreq_'
>   ga_diag.F:(.text+0xecd): undefined reference to `pdspev_'
> 
> I raised the issue upstream at https://github.com/GlobalArrays/ga/issues/154
> 
> Jeff explained that these are PeIGS symbols, provided by nwchem.  It hasn't been causing problems in practice since nwchem is the only program currently using GA.
> 
> Nevertheless Jeff and his upstream coauthors recommend disabling PeIGS in GA to avoid the problem, especially since scalapack is available for GA anyway.
> 
> You enabled PeIGS just in the previous Debian release, so I wanted to let you comment. Should we go ahead and disable peigs, or keep it enabled all the same?
> 
> Drew