Re: [AMBER-Developers] Changes to the CMake build system

From: Daniel Roe <>
Date: Tue, 10 Oct 2017 12:49:18 -0400

First of all, great work on all of this Jamie. It's a gigantic
undertaking and will be much appreciated by the Amber community for a
long time I'm certain.

On Wed, Oct 4, 2017 at 9:52 AM, David A Case <> wrote:
> 2. For everyone: please try this stuff out: I'd really like to switch
> over soon, and have this well-tested enough to be a part of next
> Spring's release. At some point, either Jamie or I can re-write the
> $AMBERHOME/configure script to simply call cmake (rather than the
> current call to $AMBERHOME/AmberTools/src/configure2). That will make
> installation look more like what everyone is used to.

I would like to err on the side of caution here and advocate that we
still support the old configure method alongside cmake for at least
the next release. I think that no matter how much testing we do there
is still a good chance that there will be some lurking bugs given the
size and complexity of the Amber install. In addition there are some
small hurdles to using cmake with Amber (like the minimum version
requirement) that may not seem problematic to us but could cause
issues for some users.

The old configure method could be enabled by doing something like
'./configure --old-method ...' or something, but it should be there
and it should work.


Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
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Received on Tue Oct 10 2017 - 10:00:02 PDT
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