On Thu, May 11, 2017 at 8:59 AM, David A Case <david.case.rutgers.edu>
wrote:
> On Wed, May 10, 2017, Jason Swails wrote:
> >
> > To pull the latest master branch, do this:
> >
> > cd $AMBERHOME
> > git clean -fxd
>
> warning!! be sure you don't have any untracked files that you want to
> keep
>
:)
> > http://ambermd.org/pmwiki/index.php/Main/Submodules
>
> I added a couple of questions for clarification to that page.
>
I added answers that hopefully provided clarity. Feel free to respond
(privately or otherwise) if it's still unclear.
1. Are there other pieces of Amber that should become submodules? They
> should be pretty independent things, that would benefit by having their
> own test (working) test suite that can drive CI even though we don't have
> an
> equivalent test suite for the full Amber (and it takes too long to run the
> full test suite for effective CI).
>
Low-hanging fruit:
1. cphstats (there's already a repository for this in github.com/amber-md)
2. mdgx/pymdgx
3. FEW
4. mmpbsa_py
5. mm_pbsa
6. saxs
7. xtalutil
8. pymsmt (already on GitHub, I think)
9. gbnsr6
10. etc (the tools inside there)
11. pysander
12. paramfit
Medium-hanging fruit:
1. pbsa
2. rism
3. quick
4. amberlite
Harder to do due to data files scattered and tight integration:
1. antechamber
2. tleap
3. sander
4. nab/sff
> 2. Now would be a good time for some clean-up:
> a. There are (in my view) too many items at github.com/amber-md.
> b. This is also a good time to delete un-used or outdated branch
> at git.ambermd.org.
>
> 3. Next step: cmake(!)
>
I would get this work merged in before you start splitting off more
submodules. It's already probably going to be a little of a pain to manage
migrating the cmake work that was done in the directories we just moved to
submodules. Probably worth not putting the person doing that work (Jamie
Smith?) out that much more.
Thanks,
Jason
--
Jason M. Swails
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu May 11 2017 - 12:30:03 PDT
