Re: [AMBER-Developers] configure --prefix

From: Jason Swails <>
Date: Mon, 6 Feb 2017 22:02:26 -0500

On Mon, Feb 6, 2017 at 3:12 PM, Ross Walker <> wrote:

> That's my point by "help with it" - It was a good start but nobody seemed
> to care / want to help get something built that was useful to us all. Sure
> it's easy to point out the shortfalls etc but what we really need is people
> to take the time to help get these sorts of things setup.
> ​ ​
​Effective CI is all but impossible with gitosis -- it lacks features that
CI requires to operate well (branch-specific permissioning to "protect"
certain branches and repository viewer with in-line code reviews to name
two big ones). Modern best practices virtually require a modern repo
manager like GitHub.

There are alternatives you can self-host (GitLab), but without a dedicated
admin you're just asking for trouble. Switching everything to GitHub
offloads the maintenance burden and lets you actually enforce
best-practices (with an integrated bug/issue tracking and code reviews),
and splitting off self-contained submodules will let each component be
developed more agilely. And for a modestly small monthly cost, you could
make pmemd a private repo.

I'm (slowly) working on a POC for that in my spare time. But this is the
kind of workflow most modern programs are adopting (GROMACS, OpenMM,
mdtraj/MDAnalysis, OpenBabel, etc.), and it would substantially reduce the
pain of releasing and make working with the latest version of master for
your actual work much less risky (which is something I did with often
painful side-effects in years past). There are plenty of reasons it could
work now where it didn't before.

All the best,

Jason M. Swails
AMBER-Developers mailing list
Received on Mon Feb 06 2017 - 19:30:02 PST
Custom Search