Enabling modules

To avoid having to install specialized software on your Aalto machine, we make some programs available over the Aalto network via a module.

To use them, you may need to update the packages in your Ubuntu system. You can use pkcon install ... for that. In a terminal, do:

# Update your system; this is a list of suggested packages:
pkcon update
pkcon install python3-numpy python3-scipy gfortran dh-autoreconf \
              tcl-dev libblas-dev liblapack-dev python3-pip gnuplot \

Then, you need to make your shell aware of the modules system. Put these two lines in your ~/.bashrc file:

source /m/work/t410/unix/caro/apps/environment-modules/environment_modules_4.8.0/init/profile.sh
export MODULEPATH=/m/work/t410/unix/caro/modulefiles

To make the changes available immediately, you need to do source ~/.bashrc.

To show the list of available modules, you can type module avail.

An example of how to use the modules to use ASE:

module load ase/3.22.0

The command above will give you access to the ase command and also to the ASE Python libraries.