[Bug 1282893] Review Request: quantum-espresso - A suite for electronic-structure calculations and materials modeling

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https://bugzilla.redhat.com/show_bug.cgi?id=1282893



--- Comment #24 from Zbigniew Jędrzejewski-Szmek <zbyszek@xxxxxxxxx> ---
(In reply to Dave Love from comment #23)
> (In reply to Zbigniew Jędrzejewski-Szmek from comment #20)
> > When running the build, a number of errors appear like this:
> > Checking uspp...[warn] Epoll ADD(4) on fd 1 failed.  Old events were 0; read
> > change was 0 (none); write change was 1 (add): Operation not permitted
> 
> I don't see that, but there are several "discrepancies" listed when it's
> run here under RHEL6 on sandybridge.  I doubt the numerical differences
> are important, but some differences in iteration counts look surprising.
> 
> However, I'd meant to say that I don't think it's worthwhile to run
> complete sets of regression tests in package builds, especially when
> they take so long and require the extra data.  One or two sanity
> checks from the examples directory seem enough.  (The increased build
> resources are relevant to installers if you need to rebuild for a
> different MPI, as I do.)

Such tests sometimes expose compilation or memory issues or endianness
errors... Scientific packages like quantum espresso don't have many users,
so it is possible that on less popular architectures almost nobody will
test the package. Having a big test suite that really exercises the code
in realistic way is my experience very valuable.

> I think the MPI sub-packages should have proper Summary contents,
> particularly as the main one may not be installed;
> "%{name} - openmpi version" isn't useful, e.g. in the output of
> "rpm -qa".  Probably there should be a guideline for that.
Yeah, I also wanted to comment on this when doing the last review, but
in the end I didn't have an idea that would be significantly better.
What actual replacement would you propose?
Summary:                A suite for electronic-structure calculations and
materials modeling
Summary:                %{name} - devel
Summary:                %{name} - static libraries
Summary:                %{name} - openmpi version
Summary:                %{name} - devel openmpi version
Summary:                %{name} - static libraries openmpi version
Summary:                %{name} - mpich version
Summary:                %{name} - devel mpich version
Summary:                %{name} - static libraries mpich version
Summary:                %{name} - common files

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