[Bug 502621] New: Review Request: libint - A library that evaluates integrals over Gaussian basis functions

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Summary: Review Request: libint - A library that evaluates integrals over Gaussian basis functions

https://bugzilla.redhat.com/show_bug.cgi?id=502621

           Summary: Review Request: libint - A library that evaluates
                    integrals over Gaussian basis 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/libint.spec

SRPM URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/libint-1.1.4-1.fc10.src.rpm

Description:
Libint library is used to evaluate the traditional (electron repulsion) and
certain novel two-body matrix elements (integrals) over Cartesian Gaussian
functions used in modern atomic and molecular theory. The idea of the library
is to let computer write optimized code for computing such integrals. There
are two primary advantages to this: much less human effort is required to
write code for computing new integrals, and code can be optimized specifically
for a particular computer architecture (e.g., vector processor).

Libint has been utilized to implement methods such as Hartree-Fock (HF) and
Kohn-Sham density functional theory (KS DFT), second-order Moller-Plesset
perturbation theory (MP2), coupled cluster singles and doubles (CCSD)
method, as well as explicitly correlated R12 methods.


rpmlint output is clean.

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