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

From: David A Case <>
Date: Wed, 4 Oct 2017 09:52:38 -0400

On Mon, Oct 02, 2017, Jamie Smith wrote:
> I am merging some significant changes into master today....

Hi Jamie (and other developers):

Thanks for your work on this. A few points:

1. The wiki page says that users need to switch to the cmake branch, but
all your recent stuff has been committed to master, which seems to work fine
for me. Should we expect the master branch to be mostly working? That is
what is needed to get real testing done. (I see that the "packaging" stuff
is still just in the cmake branch, but am unclear about a "regular" build.)

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.

> ---- Build Source Directories
> The CMake build system does not work properly if the Makefile build
> system has been used to build the Amber source directory. The module
> files in the source directory override the ones that CMake is building,
> and cause problems. Make sure to run make clean before building with
> CMake.

3. Just to be clear here: is it expected that one could use cmake to build
inside a (clean) source directory? Having the out-of-source-tree build option
is great for developers, but might be confusing for some users. For people
that just want to build once, and rarely change the source code, is building
in the source tree a reasonable option?

4. (Minor): which MacOS vesions disable DYLD_LIBRARY_PATH? And let me know
if I can help with getting mpinab to work.


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Received on Wed Oct 04 2017 - 07:00:02 PDT
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