On Wed, Oct 4, 2017 at 9:52 AM, David A Case <david.case.rutgers.edu> wrote:
> 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.)
>
I think "regular" build is ok now. There are a serious of edge cases here
https://github.com/Amber-MD/cmake-buildscripts/issues but Jamie will
resolve it ( I think ). I am also setting nightly build for cmake on travis
ci.
>
> 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 agree with others about not deprecating non-cmake for AT18. It's too
risky.
Even if we deprecate, we should give user a nice message about that.
>
> > ---- 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?
>
I am +1 for build outside source code. (just personal favor).
>
> 4. (Minor): which MacOS vesions disable DYLD_LIBRARY_PATH? And let me know
> if I can help with getting mpinab to work.
>
Apple always try to disable it so we won't rely on that. We should use
absolute path or rpath for thoses.
(I think Jamie does that for cmake too).
Hai
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue Oct 10 2017 - 18:00:02 PDT
