[Bug 542759] New: Review Request: mpqc - Ab-inito chemistry program

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Mon Nov 30 18:06:36 UTC 2009


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Summary: Review Request: mpqc - Ab-inito chemistry program

https://bugzilla.redhat.com/show_bug.cgi?id=542759

           Summary: Review Request: mpqc - Ab-inito chemistry program
           Product: Fedora
           Version: rawhide
          Platform: All
        OS/Version: Linux
            Status: NEW
          Severity: medium
          Priority: medium
         Component: Package Review
        AssignedTo: nobody at fedoraproject.org
        ReportedBy: carl at five-ten-sg.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: http://www.five-ten-sg.com/mpqc.spec
SRPM URL: http://www.five-ten-sg.com/mpqc-2.3.1-11.fc12.src.rpm
Description: 
MPQC is the Massively Parallel Quantum Chemistry Program. It computes
properties of atoms and molecules from first principles using the time
independent Schrödinger equation. It runs on a wide range of architectures
ranging from individual workstations to symmetric multiprocessors to
massively parallel computers. Its design is object oriented, using the C++
programming language.

koji scratch build:
http://koji.fedoraproject.org/koji/taskinfo?taskID=1838765


This is part of my project to get ghemical and its dependencies into Fedora.

ghemical buildrequires:
   f2c
   libSC-devel
   mopac7-devel
   oglappth-devel
   libghemical-data
libghemical buildrequires:
   f2c
   libSC-devel
   mopac7-devel
mopac7 buildrequires:
   f2c
mpqc provides libSC7, libSC-devel
oglappth provides oglappth-devel
f2c provides f2c

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