From Fedora Project Wiki
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 | ||
| libpdb++ | http://www.cgl.ucsf.edu/Overview/software.html | bundled in reduce | |
| 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? |