[Bug 542759] Review Request: mpqc - Ab-initio chemistry program
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Tue Dec 29 17:12:03 UTC 2009
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https://bugzilla.redhat.com/show_bug.cgi?id=542759
--- Comment #29 from Jussi Lehtola <jussi.lehtola at iki.fi> 2009-12-29 12:12:00 EDT ---
Oh, you may want to add
BuildRequires: libint-devel
so that you get libint support that speeds up the computations.
The build scripts don't seem to support off-root builds, which makes building
MPI parallellized versions a bit difficult. We might want to leave those for
later.
You still need to drop
BuildRequires: mpich2-devel
which isn't necessary. And I suggest building against atlas instead of the
reference BLAS & LAPACK.
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