On 10/22/20 5:43 AM, Honza Macháček wrote:
Dear all,
after the removal of eselect-alternatives, and all the corresponding
reorganisation of linear algebra libraries in the science overlay I have
serious problems compiling programs that I use.
I'm afraid I may not be entitled to your help and advice since I dropped from
contributing to the overlay. I used to maintain the sci-physics/abinit ebuild,
and few others I had added over time, but after one particularly long pause in
my updating those ebuilds I found that I had lost access to the overlay. I have
a vague impression that there were some changes in the ways the overlay is
managed and contributions submitted but I have not yet even actually tried to
find the relevant documentation, and study it. Besides I was reluctant to ask
for the access to contributing until I had solved my problems with the abinit
ebuild that I haven't solved yet, so I've kept updating my handful of ebuilds
that I more or less use in my personal overlay only. And now, after the recent
changes in the overlay, they're broken completely — even my updated versions,
let alone those I left in the overlay, unless somebody took over maintaining
them —, and I'm at a loss how to repair them.
Currently I use in my work mainly sci-chemistry/nwchem, now at the 7.0.0
version. It uses blas and lapack, and prefers compilation with 64 bit integers
(ILP64) data model, although an utility to convert it for LP64 model with 32
bit integers is provided. I'm attaching my ebuild that I've finally used to
install and start using the new NWChem version. I'm also adding all the patches
the ebuild references in case you wanted to test the ebuild. I'm affraid the
way I made it use the ILP64 version of sci-libs/openblas-0.3.10 is rather ugly,
and some more elegant, more general, more systematic way should be available.
Is there anything like that? Does anybody at least plan to introduce anything
like that? Is there any documentation I should read that would guide me in
updating my ebuilds in line with the recent overlay development, and possibly
to try and contribute them to the overlay?
All the best
Honza Macháček
Yes, you can try to install the OpenBLAS package from ::gentoo with
the 'index-64bit' use flag enabled, which will install a libopenblas64.so
which should have what you want.
I am working on cleanin up these packages, but this should work for your
particular problem.
Aisha
