[Bug 531605] New: Review Request: packmol - Packing Optimization for Molecular Dynamics Simulations

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Summary: Review Request: packmol - Packing Optimization for Molecular Dynamics Simulations

https://bugzilla.redhat.com/show_bug.cgi?id=531605

           Summary: Review Request: packmol - Packing Optimization for
                    Molecular Dynamics Simulations
           Product: Fedora
           Version: rawhide
          Platform: All
        OS/Version: Linux
            Status: NEW
          Severity: medium
          Priority: low
         Component: Package Review
        AssignedTo: nobody at fedoraproject.org
        ReportedBy: marbolangos at gmail.com
         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: ftp://dedimarbo.ath.cx/pub/repo/specs/packmol.spec
SRPM URL:
ftp://dedimarbo.ath.cx/pub/repo/srpms/packmol-0-0.1.02Sep09.fc11.src.rpm
Description: Packmol creates an initial point for molecular dynamics
simulations by packing
molecules in defined regions of space. The packing guarantees that short range
repulsive interactions do not disrupt the simulations.
The great variety of types of spatial constraints that can be attributed to
the molecules, or atoms within the molecules, makes it easy to create ordered
systems, such as lamellar, spherical or tubular lipid layers.
The user must provide only the coordinates of one molecule of each type, the
number of molecules of each type and the spatial constraints that each type of
molecule must satisfy.
The package is compatible with input files of PDB, TINKER, XYZ and MOLDY
formats.

---
Hi all, this is my first package and I am seeking a sponsor.
I am not the maintener of the mainstream and I sent an email to him who agreed
to push the rpm to Fedora.
In the spec file the configuration is not made by using the %configure from the
autotools as the Configure file is not compatible with it. The compilation is
only some fortran code and the mainstream maintener said the compilation flags
are ok.
rpmlint says on the x86_64, i586 and sprms files :
1 packages and 0 specfiles checked; 0 errors, 0 warnings.

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