[Bug 1064656] Review Request: elk - FP-LAPW Code

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https://bugzilla.redhat.com/show_bug.cgi?id=1064656



--- Comment #1 from Will Benton <willb@xxxxxxxxxx> ---
Thanks for packaging this, Marcin.  I've successfully built locally and am
waiting for a koji build to complete now.  Here are some initial notes on the
package, though:

* The most serious problem is bundling.  The source directory contains
(apparently) bundled BLAS and LAPACK implementations, a bundled libxc file, and
(as far as I can tell) Jack Dongarra's modified version of a public domain
implementation of the error function from the NSWC Library of Mathematical
Subroutines.  This kind of bundling seems to be cultural in the Fortran world,
but you will need to remove these in %prep and build against versions available
in Fedora.

* The %if here appears vestigial; is that the case?

    %if 0%{?fedora} >= 21
    %global BLAS -L%{_libdir} -lopenblas
    %global LAPACK -L%{_libdir} -llapack
    %else
    %global BLAS -L%{_libdir} -lopenblas
    %global LAPACK -L%{_libdir} -llapack
    %endif

* The %build section is awfully hairy, but it's not obvious that you could make
it a lot simpler without involving upstream.  It looks like you've been using
this spec for some time; do you have a sense for how robust your macros are
here?

* In %check, I think it would make more sense to use an environment variable
for NPROC (I had to get a clarification on when this macro body would be
evaluated):

    %global NPROC %(cat /proc/cpuinfo | grep processor | wc -l)

Please let me know once you have a chance to address these and I'll continue
with the review.

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