[cctbxbb] Install OpenBLAS or MKL in base

Nicholas Sauter nksauter at lbl.gov
Fri Jun 22 10:20:43 PDT 2018


Please make sure that any new dependencies are optional, and that existing
users can continue to use the existing code.  LSTBX is a fundamental
component of CCTBX, and I wouldn't be keen on suddenly changing all the
underlying implementations!

Also, we cannot include anything GPL in CCTBX.

If need be we can set up a high-level discussion of this also involving
Paul Adams.


Nicholas K. Sauter, Ph. D.
Senior Scientist, Molecular Biophysics & Integrated Bioimaging Division
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 33R0345
Berkeley, CA 94720
(510) 486-5713

On Fri, Jun 22, 2018 at 6:16 AM, Luc Bourhis <luc_j_bourhis at mac.com> wrote:

> >> Actually, no, it does not work. We also need LAPACK anyway. And that’s
> only in FORTRAN as far as I know.
> >
> > Clapack is also in c.
> Ah, yes, Lapack passed through f2c. Forgot about that indeed. Mmmhmmm… Ok,
> so let’s sum up the alternatives.
> 1. compile together netlib cblas and clapack, and install in the right
> place in the cctbx tree
> 2. copy MKL headers, and shared libs (Linux), dynamic libraries (MacOS),
> or DLL’s (Windows) to the right place in the cctbx tree
> 3. compile OpenBLAS and install in the right place in the cctbx tree
> I am not convinced option 1 is any simpler, because we need to do the job
> for two libraries and make sure they work together whereas for option 3
> OpenBLAS makefiles take care of everything. Actually, I think option 2 is
> the simplest one because no compilation is involved.
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