1.7 Environment variables

Contrast .bash_profile and .profile which are only run at the start of a new login shell.

The .bashrc file

The purpose of setting environmental variables is create system wide variables (at least within your user shell) available to programs. This is a more elegant way of being able to determine where resources are on a system.

Environment variables can be created

export PYTHONPATH=$(cd ~/repos/pyflamestk;pwd):$(cd ~/repos/pypospack;pwd)

export PATH=$(cd ~/bin;pwd):$PATH

export LAMMPS_SERIAL_BIN=$(cd ~/;pwd)/bin/lmp_serial

export LAMMPS_MPI_BIN=$(cd ~/;pwd)/bin/lmp_mpi

export GULP_BIN=/home/eugene/bin/gulp

export VASP_MPI_BIN=/home/eugene/bin/vasp

export VASP_GGA_DIR=/home/eugene/opt/vasp/GGA

export VASP_LDA_DIR=/home/eugene/opt/vasp/LDA

Example for OSC

# load python

module load python/3.6-conda5.2

# load git

module load git/2.18.0

# supress GTK-ASKPASS ERRORS

unset SSH_ASKPASS

#bath

export PATH=/users/PAA0028/eragasa/.local/bin:$PATH

export PATH=$HOME/bin:$PATH

export HOSTNAME

# .bash_profile

export LAMMPS_SERIAL_BIN=$HOME/bin/lmp_serial

if [[ $(hostname -s) = owens* ]]; then

    export LAMMPS_MPI_BIN=$HOME/bin/owens/lmp_mpi

    export VASP_STD_BIN=$HOME/bin/owens/vasp_std

elif [[ $(hostname -s) = pitzer* ]]; then

    export LAMMPS_MPI_BIN=$HOME/bin/pitzer/lmp_mpi

    export VASP_STD_BIN=$HOME/bin/pitzer/vasp_std

elif [[ $(home -s) = ruby* ]]; then

    export LAMMPS_MPI_BIN=$HOME/bin/ruby/lmp_mpi

    export VASP_STD_BIN=$HOME/bin/ruby/vasp_std

fi

# potpaw files

export VASP_POTPAW_LDA=$HOME/usr/local/vasp/potpaw/potpaw_LDA.54

export VASP_POTPAW_GGA=$HOME/usr/local/vasp/potpaw/potpaw_PBE.54

# python path

export PYTHONPATH=$HOME/repos/mexm-base/src:$PYTHONPATH

export PYTHONPATH=$HOME/repos/pymatmc2/src:$PYTHONPATH

# Get the aliases and functions

if [ -f ~/.bashrc ]; then

        . ~/.bashrc

fi