[gmx-users] Gromacs in UBUNTU

[James Lord]

Hi Saeed,
You don't necessarily need to install it first from Ubuntu software center
and then update it. you can directly get the latest version and follow the
instruction on gromacs website.
Quick and dirty installation
<http://www.gromacs.org/Documentation/Installation_Instructions_5.0?highlight=command#TOC>

   1. Get the latest version of your C and C++ compilers.
   2. Check that you have CMake version 2.8.8 or later.
   3. Get and unpack the latest version of the GROMACS tarball.
   4. Make a separate build directory and change to it.
   5. Run cmake with the path to the source as an argument
   6. Run make, make check, and make install

Or, as a sequence of commands to execute:

tar xfz gromacs-5.0.5.tar.gz
cd gromacs-5.0.5
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
make
make check
sudo make install
source /usr/local/gromacs/bin/GMXRC

Cheers

James


On Thu, May 14, 2015 at 1:53 PM, saeed poorasad <s_poorasad at yahoo.com>
wrote:

> Dear Gromacs users ,
> Greetings .I want to install Gromacs with using of UBUNTU software center
> .  Now I want to know about updating process of this version of gromacs
> . Does it update automatically with Ubuntu ?
> Thanks for your attention .Best,Saeed.
> --
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