[gmx-users] installation: gromacs on Mac.10.5.8 leopard

Florian Dommert dommert at icp.uni-stuttgart.de
Fri Jul 23 10:45:35 CEST 2010


On 23.07.10 10:30, KACHMAR Ali wrote:
> Hi Flor
>
> Thank you very much for your help.  I don't  know what's wrong in my
> mac. I successfully installed gromacs, and when I restart my mac, I
> tried one of gromacs commands but it did not show up.
>
> It is realy strang, I have to compile again or what?

No just source the GMXRC file contained in the GROMACS/bin directory

source GMXDIR/bin/GMXRC

Put this file in your .bash_profile and open a new terminal, then
everything should be ready for start.

/Flo
>
> Ali 
>
>
> ------------------------------------------------------------------------
> Date: Fri, 23 Jul 2010 10:04:03 +0200
> From: dommert at icp.uni-stuttgart.de
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard
>
> On 23.07.10 09:32, KACHMAR Ali wrote:
>
>     Hi,
>
>      I had already installed xcode. 
>
>     I would like to be sure if it is correct my .bash_profile
>     concerning the gcc and mpicc
>
>     export PATH=/usr/local/bin:$PATH
>
>
> If you have a broke installation of gcc and/or mpicc in /usr/local/bin
> then the compilation will fail. This and the following to exports of
> the PATH are unnecessary to compile GROMACS on Mac OS X
>
>     export PATH=$PATH:/usr/bin/gcc
>     export PATH=$PATH:/usr/bin/mpicc
>
>
> Flo
>
>
> ------------------------------------------------------------------------
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-- 
Florian Dommert
Dipl. Phys.

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70565 Stuttgart

Germany

Tel: +49 - 711 / 6856-3613
Fax: +49 - 711 / 6856-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

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