[Bug 1107800] Review Request: dl_poly - General purpose classical molecular dynamics (MD) simulation

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https://bugzilla.redhat.com/show_bug.cgi?id=1107800

Orion Poplawski <orion@xxxxxxxxxxxxx> changed:

           What    |Removed                     |Added
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              Flags|                            |fedora-review+



--- Comment #12 from Orion Poplawski <orion@xxxxxxxxxxxxx> ---
(In reply to Dave Love from comment #10)
> (In reply to Orion Poplawski from comment #9)
> > It could if there was a decision to change default ownership.  It's unneeded
> > cruft in any case.  While it's in the /etc/rpmdevtools/spectemplate* files,
> > rpmdev-newspec will remove it.  Or did you get a template from elsewhere?
> 
> It was from that via Emacs C-x C-f, but I realize it's an old version of
> devtools, but the latest that would install on RHEL6, since it's not in EPEL.

Hmm, maybe that would be a good package for you to maintain EPEL :)

> > You can add (some) options if you'd like.  In particular you're welcome to
> > add "-ffast-math -funroll-loops".
> 
> I think the rules say you need to ask for a special exception.
> -funroll-loops really should be in default FFLAGS.

>From https://fedoraproject.org/wiki/Packaging:Guidelines#Compiler_flags 

"Adding to and overriding or filtering parts of these flags is permitted if
there's a good reason to do so; the rationale for doing so must be documented
in the specfile."

So you're good to add them.  But I'd be very hesitant to remove any.

You're welcome to make the suggestion of adding -funroll-loops.

> > I don't think anyone can rely on distro packages to get top performance though.
> 
> In some cases I hope you can, but I'd at least hope to be able to rebuild
> with, say, -march=native added to xFLAGS.

But the build computer is quite likely very different than the one the code
will run on, so -march=native will just break things.

Package looks good now, so APPROVED.

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