On Sat, Feb 21, 2015 at 8:52 AM, David A Case <case.biomaps.rutgers.edu>
wrote:
>
> 1. We can't merge the AmberTools and Amber source trees together. The
> split between the AmberTools stuff and the pmemd stuff is there because
> they fall under different licenses. Intermingling the trees would just
> confuse that issue.
>
One last thought regarding this (and again, NOT talking about this release
necessarily). We keep the overall structure, but change some naming. The
top directory is always called 'amber'. The 'AmberTools' subdirectory is
renamed 'amberX', where X is whatever release year, and still has all the
free stuff. The 'src' subdirectory is renamed 'amberY-nonfree' or 'pmemdY'
or something, where Y is the release year for the non-free code. So it
would look something like
amber/
amber/amber15
amber/pmemd14 -or- amber/amber-nonfree14
AMBERHOME then still points to amber/ and no relative paths have changed.
The nice thing about getting rid of the 'AmberTools' moniker is that we can
say things like "Amber is 100% open source and free" - not sure how big a
benefit that is but still maybe something to consider.
-Dan
> 2. We can't ask Amber14 licensees to do a fresh download: that would be a
> nightmare, as many people won't have kept their authentication
> information; or
> the person who originally took out the license is gone, etc.
>
> 3. I'm toying with the idea of providing a script (with the upcoming
> AmberTools release) that would rsync the pmemd-related material from
> an existing amber14 location into a new directory tree, rooted at
> .../amber14.1, that would also contain the new AmberTools files. This
> would avoid potential problems from asking people to download the new
> AmberTools on top of their current versions, and would avoid the
> requirement
> of a fresh download of Amber14. (People that license Amber14 after the
> April
> release might get a tarball rooted at the .../amber14.1 location.)
>
> ....dac
>
>
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>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Sat Feb 21 2015 - 09:00:03 PST
