[Bug 496880] New: Review Request: wannier90 - Maximally-localised Wannier functions

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Tue Apr 21 14:31:51 UTC 2009


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Summary: Review Request: wannier90 - Maximally-localised Wannier functions

https://bugzilla.redhat.com/show_bug.cgi?id=496880

           Summary: Review Request: wannier90 - Maximally-localised
                    Wannier functions
           Product: Fedora
           Version: rawhide
          Platform: All
        OS/Version: Linux
            Status: NEW
          Severity: medium
          Priority: medium
         Component: Package Review
        AssignedTo: nobody at fedoraproject.org
        ReportedBy: jussi.lehtola at iki.fi
         QAContact: extras-qa at fedoraproject.org
                CC: notting at redhat.com, fedora-package-review at redhat.com
   Estimated Hours: 0.0
    Classification: Fedora


Spec URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/wannier90.spec

SRPM URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/wannier90-1.1-1.fc10.src.rpm

Upstream URL:
http://wannier.org/


Description:
Wannier90 is a program for calculating maximally-localised Wannier functions
(MLWF) from a set of Bloch energy bands that may or may not be attached to or
mixed with other bands. The formalism works by minimising the total spread of
the MLWF in real space. This is done in the space of unitary matrices that
describe rotations of the Bloch bands at each k-point. As a result, wannier90
is independent of the basis set used in the underlying calculation to obtain
the Bloch states. Therefore, it may be interfaced straightforwardly to any
electronic structure code. The locality of MLWF can be exploited to compute
band-structure, density of states and Fermi surfaces at modest computational
cost.

Furthermore, wannier90 is able to output MLWF for visualisation and other
post-processing purposes. Wannier functions are already used in a wide variety
of applications. These include analysis of chemical bonding in real space;
calculation of dielectric properties via the modern theory of polarisation;
and as an accurate and minimal basis set in the construction of model
Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo
calculations, and for efficient computation of material properties, such as
the anomalous Hall coefficient.


rpmlint output:
wannier90.x86_64: W: unstripped-binary-or-object /usr/lib64/libwannier.so
wannier90.x86_64: W: no-soname /usr/lib64/libwannier.so
3 packages and 1 specfiles checked; 0 errors, 2 warnings.

I have no idea why rpm doesn't strip the library...

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