[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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