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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 location in AmberTools bundled version
arpack src/arpack 2.1
blas src/blas 3.0?
boost src/boost-1.38.0 1.38.0
byacc src/byacc 20101127
eigen3 src/mtkpp/src/eigen3b2 3.0b2
fftw src/fftw-3.3 3.3
lapack src/lapack 3.2
libXmu src/leap/src/Xmu 20001128
libXpm src/leap/src/Xpm 3.4
mpi4py src/mmpbsa_py/mpi4py-1.2.2.tar.gz 1.2.2
netcdf src/netcdf 3.6.2b6
tinyxml src/mtkpp/src/tinyxml 2.0 (April 2005)
xblas src/xblas 1.0 (2005)

Bundled packages which should be fine to put in Fedora

Fedora package Upstream Version in AmberTools Review Request/Status
boost-numeric-bindings (not necessary for build)
libpdb bundled in ptraj
libpdb++ bundled in reduce
mtkpp 0.2.0
ucpp 1.3 Review request
Wcl Old review request

Bundled packages which may be problematic to put in Fedora

Name Upstream Version in AmberTools Status
chamber AmberTools non-free license?
libXraw non-commercial clause in license
leap AmberTools non-free license?
reduce 3.14.080821 sale restriction?