[Bug 468579] New: Review Request: PyQuante - Python Quantum Chemistry

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Sun Oct 26 11:11:36 UTC 2008 

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Summary: Review Request: PyQuante - Python Quantum Chemistry

https://bugzilla.redhat.com/show_bug.cgi?id=468579

           Summary: Review Request: PyQuante - Python Quantum Chemistry
           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/PyQuante.spec
SRPM URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/PyQuante-1.6.1-1.fc9.src.rpm

Description:
PyQuante is an open-source suite of programs for developing quantum chemistry
methods. The program is written in the Python programming language, but has
many "rate-determining" modules also written in C for speed. The resulting
code, though not as fast as Jaguar, NWChem, Gaussian, or GAMESS, is much
easier to understand and modify. The goal of this software is not necessarily
to provide a working quantum chemistry program (although it will hopefully do
that), but rather to provide a well-engineered set of tools so that scientists
can construct their own quantum chemistry programs without going through the
tedium of having to write every low-level routine.


rpmlint output:

PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Minimizers.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/IO/XYZ.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/GridPoint.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/qmmd.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/pyints.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/PGBF.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/MINDO3_Parameters.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/DFunctionals.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/IO/Molf.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Constants.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Basis/Tools.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Atom.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/dft.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Molecule.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/leapfrog.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/OEP.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/EN2.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Lebedev.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/fermi_dirac.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/ThomasFermi.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/MINDO3.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/pressure.py 0644
PyQuante.x86_64: E: wrong-script-end-of-line-encoding
/usr/lib64/python2.5/site-packages/PyQuante/pressure.py
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/DMP.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Bunch.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/IO/Cube.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/LA2.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Dynamics.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/IO/Jaguar.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/AnalyticDerivatives.py 0644
PyQuante.x86_64: E: wrong-script-end-of-line-encoding
/usr/lib64/python2.5/site-packages/PyQuante/AnalyticDerivatives.py
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Wavefunction.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/force.py 0644
PyQuante.x86_64: E: wrong-script-end-of-line-encoding
/usr/lib64/python2.5/site-packages/PyQuante/force.py
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/NumWrap.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/MolecularGrid.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/CGBF.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/IO/Matlab.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/CI.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Element.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/PyQuante2.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Convergence.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/NEB.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/AtomicGrid.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/DFunctionalsOld.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Slater.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Solvers.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/MP.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/HFGF.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/rys.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/hgp.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/hartree_fock.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/Legendre.py 0644
PyQuante.x86_64: E: non-executable-script
/usr/lib64/python2.5/site-packages/PyQuante/rohf.py 0644
PyQuante.x86_64: W: invalid-license Modified BSD
PyQuante-debuginfo.x86_64: W: invalid-license Modified BSD
2 packages and 0 specfiles checked; 54 errors, 2 warnings.

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