Code:Compiling

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

build_fftw3() {

 wget ftp://ftp.fftw.org/pub/fftw/fftw-3.3.6-pl2.tar.gz
 # or curl -LO ftp://ftp.fftw.org/pub/fftw/fftw-3.3.6-pl2.tar.gz
 git clone https://github.com/FFTW/fftw3
 tar xzf fftw-3.3.6-pl2.tar.gz
 cd fftw-3.3.6-pl2
 ./configure --prefix=$HOME
 make
 make install
 ls $HOME
 make uninstall

}

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

build_gromacs() {

 curl -O ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.3.tar.gz
 tar xzf gromacs-2016.3.tar.gz
 mkdir build
 cd buid
 cmake ../gromacs-2016.3

}

1. Install a python package:
2. (see docs https://docs.python.org/2/install/index.html)
3. http://docs.sympy.org/latest/install.html

install_sympy() {

 curl -LO http://mpmath.org/files/mpmath-0.19.tar.gz
 python setup.py 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

}

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