[gmx-users] Re: upgrade version - "make distclean"?

[David van der Spoel]

Low Soo Mei wrote:
> Thanks David and Mark for your helpful comments.  Just to follow up, 
> make uninstall works very well - I executed it in the directory that was 
> untarred from the source 3.3.2 tarball, and it removed all the 3.3.2 
> files in both that directory and the /usr/local/gromacs (default 
> installation path).  Even though the /usr/local/gromacs subdirectories 
> (and subsubdirectories and all) still existed, they were all empty.  So 
> I did a rm -rf /usr/local/gromacs .
> 
> The symbolic links I made with 3.3.2 in /usr/local/bin, I also removed, 
> with rm -f.  after the make uninstall.
> 
> So this gave a good clean setup, no gromacs files were left.
> (I protected my hand-created .itp files by moving them elsewhere before 
> starting to uninstall.)
> 
> Mark's suggestion for ./configure --prefix=/usr/local/gromacs-3.3.3 
> worked wonderfully as well.  I didn't do "make links" this time because 
> wanted to try out the source command suggested.  Am happy to say that 
> source /usr/local/gromacs-3.3.3/bin/GMXRC _didn't_ work in my .bashrc 
> init script until I kicked myself silly for forcing GMXRC to detect 
> which shell had initialized when the shell hadn't finished initializing 
> yet, the source /...../GMXRC being the very last line of the init 
> script.  Doing a source /usr/local/gromacs-3.3.3/bin/GMXRC.bash worked 
> perfectly though.  Sheer beginner's "luck" ;-)
> 
> I do have another question:  for both 3.3.3 and 3.3.2 my computer could 
> not pass the simple/rb1 test, although I'd compiled with gcc34.  Is this 
> test failure of concern?  I am using Fedora 8 on a core 2 duo.  The same 
> test failure happened on 3.3.2 on my work computer which is Fedora 8 on 
> pentium 4 dual-core.  (i haven't tried installing 3.3.3 on that yet).
> 
Please check what went wrong in the test and read the Wiki entry on testing.
-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se