Compendia of bash scripts for compiling popular simulation/analysis codes (gromacs, lammps, ambertools, etc.). Scripts are provided for the following platforms:
A Tumbleweed flavor of OpenSUSE with the following packages installed via
zypper / yast
- gcc-c++
- gcc-gfortran
- cmake
- fftw-devel
- boost-devel
- libbz2-devel
- libXt-devel
- python
If you are on a system with MPI capabilities, you will also need
- openmpi-devel
These scripts can easily be adapted to work with RHEL/Fedora/Rocky linux systems.
Xcode with commandline tools and Homebrew are installed along with the following packages (installed through homebrew).
- gcc, gcc5, gcc48
- boost
- fftw
- cmake
- openmpi
- libjpeg
- voro++