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

[Benson Muite]

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>