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<source lang="bash">

  1. Building FFTW3
  2. note you could "just use" the versions already available in /apps/lib/fftw-3.2.2

build_fftw3() {

 # or curl -LO
 git clone
 tar xzf fftw-3.3.6-pl2.tar.gz
 cd fftw-3.3.6-pl2
 ./configure --prefix=$HOME
 make install
 ls $HOME
 make uninstall


  1. Building a cmake project
  2. apps/cmake/3.7.1

build_gromacs() {

 curl -O
 tar xzf gromacs-2016.3.tar.gz
 mkdir build
 cd buid
 cmake ../gromacs-2016.3


  1. Install a python package:
  2. (see docs

install_sympy() {

 curl -LO
 python install --user
 # run python, then import mpmath to check
 # continue to install sympy


  1. Using modules:

load_some_modules() {

 module avail 2>&1 | grep compiler
 module avail 2>&1 | grep cmake
 module avail 2>&1 | grep gromacs