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<div class="moz-cite-prefix">On 24/08/2012 12:39 PM, Roland Schulz
wrote:<br>
</div>
<blockquote
cite="mid:CAO2TwbnYv8jhB9CefQLibYiKg84afAgU5-jFpm3z2WUm-roM-w@mail.gmail.com"
type="cite"><br>
<br>
<div class="gmail_quote">On Thu, Aug 23, 2012 at 7:33 PM, Thomas
Evangelidis <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:tevang3@gmail.com" target="_blank">tevang3@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<br>
<br>
<div class="gmail_quote">Hi Roland,<br>
<br>
Many thanks for the swift reply. I am sorry, it's
confusing with all these instructions in the website and
the INSTALL files...<br>
<br>
This time I did:<br>
git clone git://<a moz-do-not-send="true"
href="http://git.gromacs.org/gromacs.git"
target="_blank">git.gromacs.org/gromacs.git</a>
gromacs-4.6<br>
cd gromacs-4.6<br>
git checkout --track -b release-4-6 origin/release-4-6<br>
cmake . -DGMX_OPENMM=ON -DGMX_THREADS=OFF<br>
</div>
</div>
</blockquote>
<div>if you want to get the new native gpu feature you need no
special cmake flags so </div>
<div>cmake .</div>
<div>should work. But I got confused when claiming you should
get release-4-6. Instead you need to get:</div>
<div>git fetch <a moz-do-not-send="true"
href="https://gerrit.gromacs.org/gromacs">https://gerrit.gromacs.org/gromacs</a>
refs/changes/84/1284/14 && git checkout FETCH_HEAD</div>
<div>(for other download options see <a moz-do-not-send="true"
href="https://gerrit.gromacs.org/#/c/1284/">https://gerrit.gromacs.org/#/c/1284/</a>)</div>
<div>It will be in 4.6 but is not (quite) in it yet.</div>
<div>As far as I know the OpenMM GPU option hasn't been updated
for 4.6 and thus for OpenMM you could as well use the 4.5
version.</div>
<div><br>
</div>
<div>I never had problems with in-source build. Mark, why do you
say in-source build is not supported?</div>
<br>
</div>
</blockquote>
<br>
It might work right now, but in-source builds ask for trouble,
provide no significant benefits, and use CMake in a way its authors
do not recommend (which may lead to compatibility issues in the
future). See various parts of <a
href="http://www.cmake.org/Wiki/CMake_FAQ#Out-of-source_build_trees">http://www.cmake.org/Wiki/CMake_FAQ#Out-of-source_build_trees</a>.
IMO, the burden on developers to make sure in-source builds can
clean themselves up properly is too high (i.e. non-zero) to be worth
considering supporting in-source builds. It's also more efficient to
be able to have a single distribution with pre-configured
subdirectories (e.g. "build_cmake_mpi", "build_cmake_debug",
"build_cmake_tools") so that you can quickly work on a new feature
or get access to debug versions, etc. without having to make a new
copy of the repo/distro, deal with versioning of CMake output (or of
the source between repos), etc. Much of this was true with
autotools, also.<br>
<br>
Mark<br>
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