Molecular Dynamics, Cheminformatics, Biophysics, DevOps, Github Actions.
name: Install GROMACS Requirements run: | sudo apt-get update sudo apt-get install -y wget wget https://ftp.gromacs.org/gromacs/gromacs-2023.3.tar.gz tar xfz gromacs-2023.3.tar.gz cd gromacs-2023.3 mkdir build cd build cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON make make check