[gmx-users] GROMACS 2018.3 ansible playbook for wget, extract, build, install

[Benson Muite]

There is also an rpm:

https://centos.pkgs.org/7/epel-x86_64/gromacs-2018.2-1.el7.x86_64.rpm.html

for other versions see:

https://pkgs.org/download/gromacs

On 11/9/18 6:54 PM, Benson Muite wrote:
> The installation instructions (http://manual.gromacs.org/documentation/2018/install-guide/index.html) make it possible to write a simple shell script - though optmizing may require a few more tests. For example to install a basic configuration in $HOME/gromacs use
>
> wget ftp.gromacs.org/pub/gromacs/gromacs-2018.3.tar.gz<ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.3.tar.gz>
> tar xfz gromacs-2018.3.tar.gz
> cd gromacs-2018.3
> mkdir build
> cd build
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DCMAKE_INSTALL_PREFIX=$HOME/gromacs
> make
> make check
> sudo make install
> source $HOME/gromacs/bin/GMXRC
>
> On 11/9/18 5:59 PM, Darin Lory-External wrote:
> To distribution,
>
> Does anybody have a GROMACS 2018.3 (or any version) ansible playbook for wget, extract, build, install or even a nice shell script for Linux (RHEL, but I can convert other linuxes)
>
> Darin S Lory
> Email: darin.lory at regeneron.com<mailto:darin.lory at regeneron.com>
>
>