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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)
ucpp src/ucpp-1.3 1.3
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
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?