Installation scripts for the MARVEL-VES school in Lugano February 2017
Scripts to install on Ubuntu and other Linux system the software needed for the VES tutorial.
This scripts will most likely not work on Mac
The install-ves-tutorial.sh script will install
- PLUMED 2 with VES module
- Manual and VES tutorial
- VMD (64 bit version)
- LAMMPS patched with PLUMED 2
- GROMACS patched with PLUMED 2
If you have already VMD installed you can disable the VMD installation by putting INSTALL_VMD=NO in the script.
Requirements are to have at least git, c++ compiler, cmake, mpi library (e.g. openmpi). See also Packages needed below
To install the software and tutorial you need to run the install-ves-tutorial.sh script. Everything will be installed in a self-contained directory that is by default ${HOME}/VES-Tutorial. This can be changed by changing the INSTALL_DIR variable the script.
If you have a 32 bit system you will need to run install-vmd-32bit.sh to install a 32 bit version of VMD.
The script update-manual.sh can be used to update the manual and tutorial if needed. It has to use the same INSTALL_DIR variable as you used in the install-ves-tutorial.sh script.
One of the tutorials requires you to have the following python modules installed
- numpy
- scipy
- matplotlib
- statsmodels
The installation and tutorial has been tested to work with a Ubuntu 14 and 16 where the packages listed below have been installed. You can use the install-ubuntu-packages.sh to install them packages in Ubuntu.
- libmatheval-dev
- libfftw3-dev
- gsl-bin,
- libgsl0-dev,
- libopenmpi-dev,
- openmpi-bin
- libatlas-base-dev
- git
- cmake
- gnuplot-qt
- build-essential
- python-gnuplot
- python-numpy
- python-scipy
- python-matplotlib
- python-statsmodels
- gawk