Category Archives: Cantera

Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. http://www.cantera.org

Add Numpy to python install

install Numpy numpy-1.8.1.tar.gz download from http://sourceforge.net/projects/numpy
module load python/2.7.6  # build python
use gfortran
python setup.py build –fcompiler=gnu95
checkinstall python setup.py install

Python 3.4

python setup.py clean
module unload python/2.7.6
module load python/3.4.1
python3 setup.py build –fcompiler=gnu95
checkinstall python3 setup.py install

Cantera installation

Download cantera from http://code.google.com/p/cantera

module load scons/2.3.1  # build scons
module load python/2.7.6  # build python
scons build prefix=/opt/cantera/2.0-python-2.7.6
scons test
scons install

module file /etc/modulefiles/cantera/2.0-python-2.7.6

#%Module1.0####################################################################
##
## Discretizer AB modulefile
##
##
## Add directory to the path
prepend-path PATH /opt/cantera/2.0-python-2.7.6/bin
prepend-path PYTHONPATH /opt/cantera/2.0-python-2.7.6/lib/python2.7/site-packages

module load python/2.7.6

Module install of Scons build system used by Cantera

module load python/2.7.6
python setup.py build
python setup.py install –prefix /opt/scons/2.3.1 –standalone-lib

Create a module file /etc/modulefiles/scons/2.3.1
#%Module1.0##########################################
##
##  Discretizer AB modulefile
##
##
proc ModulesHelp { } {
puts stderr “\tAdd environment.”
}

## Create a whatis file.
module-whatis   “Add program links, aliases and paths”

## Add directory to the path
prepend-path    PATH    /opt/scons/2.3.1/bin

prepend-path          PYTHON_PATH  /opt/scons/2.3.1/lib
prepend-path          PYTHONPATH   /opt/scons/2.3.1/lib