Luc,

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.

Nick

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@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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