[gmx-users] Gromacs in UBUNTU
jjamesgreen110 at gmail.com
Thu May 14 05:24:27 CEST 2015
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
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
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
sudo make install
On Thu, May 14, 2015 at 1:53 PM, saeed poorasad <s_poorasad at yahoo.com>
> 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.
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users