[gmx-users] gromacs 2.1

[chris.neale at utoronto.ca]

Thank you Rossen and Roland.

I was able to obtain the source but not compile it. It would be  
appreciated if you can offer any suggestions.

I obtained gromacs via:

git clone git://git.gromacs.org/gromacs.git
git checkout release-2-0-01

But I can not compile it. When I cd src and run make or gmake I get  
the errors listed below.

... <snip> ...
gmake[348]: Entering directory  
`/project/pomes/cneale/GPC/exe/intel/gromacs-git/gromacs/src'
cd include; gmake oclean; cd ..; cd gmxlib; gmake oclean; cd ..; cd  
mdlib; gmake oclean; cd ..; cd fftw; gmake oclean; cd ..; cd kernel;  
gmake oclean; cd ..; cd tools; gmake oclean; cd ..;
/bin/sh: line 0: cd: include: No such file or directory
gmake[349]: Entering directory  
`/project/pomes/cneale/GPC/exe/intel/gromacs-git/gromacs/src'
cd include; gmake oclean; cd ..; cd gmxlib; gmake oclean; cd ..; cd  
mdlib; gmake oclean; cd ..; cd fftw; gmake oclean; cd ..; cd kernel;  
gmake oclean; cd ..; cd tools; gmake oclean; cd ..;
... <snip> ...

I tried the documentation, but the FAQ file at  
file:///home/cneale/work/June2011/gromacs/share/html/gmxfaq.html#install links  
to a non-existant file  
file:///home/cneale/work/June2011/gromacs/share/html/readme2.0.html#install  
.

I moved the install directory into src/ and that solved the error  
messages that I was obtaining, but now make errors with:

/project/pomes/cneale/GPC/exe/intel/gromacs-git/gromacs/src/include/smalloc.h:36:2: warning: #ident is a deprecated GCC  
extension
dlist.c:197:1: error: pasting "." and "H" does not give a valid  
preprocessing token
dlist.c:197:1: error: pasting "." and "N" does not give a valid  
preprocessing token
dlist.c:197:1: error: pasting "." and "Cn" does not give a valid  
preprocessing token
dlist.c:197:1: error: pasting "." and "C" does not give a valid  
preprocessing token
dlist.c:200:1: error: pasting "." and "N" does not give a valid  
preprocessing token
dlist.c:200:1: error: pasting "." and "Cn" does not give a valid  
preprocessing token
dlist.c:200:1: error: pasting "." and "C" does not give a valid  
preprocessing token
dlist.c:200:1: error: pasting "." and "O" does not give a valid  
preprocessing token
dlist.c:203:1: error: pasting "." and "minO" does not give a valid  
preprocessing token
dlist.c:203:1: error: pasting "." and "minC" does not give a valid  
preprocessing token
dlist.c:203:1: error: pasting "." and "N" does not give a valid  
preprocessing token
dlist.c:203:1: error: pasting "." and "Cn" does not give a valid  
preprocessing token
dlist.c:212:1: error: pasting "." and "Cn" does not give a valid  
preprocessing token
dlist.c:212:1: error: pasting "." and "Cn" does not give a valid  
preprocessing token
dlist.c:212:1: error: pasting "." and "Cn" does not give a valid  
preprocessing token
dlist.c:212:1: error: pasting "." and "Cn" does not give a valid  
preprocessing token
make[1]: *** [dlist.o] Error 1
make[1]: Leaving directory  
`/project/pomes/cneale/GPC/exe/intel/gromacs-git/gromacs/src/tools'

Also moving the lib directory into the src directory did not help any further.

The compiler was gcc version 4.4.0

Thank you very much,
Chris.

-- original message --

You can try also

$ git tag
release-1-6
release-1-6-01
release-2-0
release-2-0-01
release-2-0-02
release-3-0
release-3-1
release-3-1-1
release-3-1-2
release-3-1-3
release-3-1-4
release-3-2
v4.0.7
v4.5
v4.5-beta1
v4.5-beta2
v4.5-beta3
v4.5-beta4
v4.5.1
v4.5.2
v4.5.3
v4.5.4

# git checkout release-2-0-01


On 6/12/11 11:49 AM, Roland Schulz wrote:
> Hi,
>
> you can get it from git. "git log {file}" shows the history and git  
> show {version}:{file} gives you a specific version.
> In this case you can use:
> git show 74b20ce9:src/tools/g_order.c
>

Is that the "official" 2.1? We should tag it then.

Rossen

> Roland
>
> On Sat, Jun 11, 2011 at 10:11 PM, <chris.neale at utoronto.ca  
> <mailto:chris.neale at utoronto.ca>> wrote:
>
>     Dear users:
>
>     Does anybody have the source code for gromacs version 2.1? I would
>     like to check the original source of g_order, but only versions
>     3.0 and above are available on the gromacs website.
>
>     Thank you,
>     Chris.
>
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