AmberTools

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This is to help document the process to get AmberTools, a set of tools for Assisted Model Building with Energy Refinement (AMBER) into Fedora.

Bundled packages already in Fedora

Fedora package Version in AmberTools
arpack 2.1
blas 3.0?
boost 1.38
byacc 20101127
eigen 2.92
fftw 3.3
lapack 3.2
libXmu 20001128
libXpm 3.4
mpi4py 1.2.2
netcdf 3.6.2b6
tinyxml April 2005
xblas 1.0 (2005)

Bundled packages which should be fine to put in Fedora

Fedora package Upstream Review Request/Status Version in AmberTools
cifparse http://sw-tools.pdb.org/apps/CIFPARSE/source.html
mtkpp http://mtkpp.martinpeters.ie/ 0.2.0
ucpp http://code.google.com/p/ucpp/ 1.3
Wcl http://search.cpan.org/~jhpb/Wcl-2.7.3/ Old review request

Bundled packages which may be problematic to put in Fedora

Name Upstream Status
chamber AmberTools non-free license?
libXraw http://canonical.org/~kragen/Xraw/index.html non-commercial clause in license
leap AmberTools non-free license?
reduce http://kinemage.biochem.duke.edu/software/reduce.php sale restriction?