1 Installing Cantera 1.7, Python 2.5, and Python SDToolbox for Windows J. Ziegler, S. Browne, and J. E. Shepherd Caltech Revised August, 2007
Jan 02, 2016
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Installing Cantera 1.7, Python 2.5,
and Python SDToolbox for Windows
J. Ziegler, S. Browne, and J. E. ShepherdCaltech
Revised August, 2007
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System RequirementsA PC running MS Windows XP with SP2Python 2.5
Download the Windows installer from http://www.python.org/ftp/python/2.5/python-2.5.msi and run it
Cantera uses Python to process input filesnumarray site-package for Python
Download the Windows installer (“Old numarray”) from http://sourceforge.net/projects/numpy/numarray-1.5.2.win32-py2.5.exe and run it
scipy for python 2.5 (windows) http://www.scipy.org/Download
numpy for python 2.5 (windows) (needed by scipy) http://numpy.scipy.org/
(optional download) matplotlib for python 2.5 (windows) http://matplotlib.sourceforge.net/
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Cantera 1.7 Installation
Download the Cantera installer
get Cantera1.7.0.msi and run it.
http://sourceforge.net/projects/cantera/
This will create a folder that looks like the one shown here
Run Cantera-1.7.0.win32-py2.5.exe
This creates the interface between Cantera and Python
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Add New Environment VariablesCantera needs to know where to find the Python interpreter, since it uses Python to process ‘.cti’ input files
To edit the system search path, select “System” on the Control Panel to pull up this dialogue box
Press the ‘Environment Variables’ button
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Add New Environment Variables
•New (user) Environment Variable• PYTHON_CMD C:\Python25\python.exe
Note: Check your paths • Environment Variables are Case Sensitive• Some installation locations may be different depending on the user’s choices.
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Cantera Thermo/Reaction Data
Download High Temperature (up to 6000 K) cti Files http://www.galcit.caltech.edu/EDL/public/cantera/mechs/cti/high_T_cti_files.zip
Put Thermo/Reaction Data Files (.cti) in one of two places C:\Program Files\Common Files\Cantera\data
NOTE: There is a link ('data‘) to this directory in your Cantera base directory. Your current working directory
.cti Format Files – Thermo/Reaction Input Files for CanteraContain
Description of the Mixture Thermodynamic Data Reaction Mechanism (optional) Transport Data (optional)
Files included with Cantera Distribution Limited to Low Temperatures (< 3000 K) Includes GRI3.0 and files used in demos.
Creating New/Converting CHEMKIN Style Files Documented athttp://www.galcit.caltech.edu/EDL/public/cantera/html/SD_Toolbox/Windows/cti.html
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Fix the Mixmaster 1.7 BugMixmaster is a GUI written in Python that can be used to carry out equilibrium computations, evaluate thermodynamic properties and post-process reaction rate files. The Cantera 1.7 Distribution Mixmaster has a bugTo Fix: Replace C:\Python25\Lib\site-packages\MixMaster\ThermoFrame.py
withhttp://www.galcit.caltech.edu/EDL/public/cantera/html/SD_Toolbox/Windows/ThermoFrame.py
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Testing Cantera/Python Interface
Make sure to restart your computer for the environment variables to take effect.
Run tut1.py (python tutorial file) Located in Cantera\tutorials\Python
To Run: Right click on ‘tut1.py’ and left click on ‘Edit with Idle’
In the tut1.py window enter "F5" (shortcut for Run > RunModule)
ResultsCorrect – the comments of the tutorial print in the Python Shell windowIf NOT – Python or Cantera install is incorrect.
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Step 1
Step 2
Run Python
Download SDToolbox Toolbox
http://www.galcit.caltech.edu/EDL/public/cantera/1.7/python/lin/sdt/SDToolbox.zip
Demo Scriptshttp://www.galcit.caltech.edu/EDL/public/cantera/1.7/python/lin/sdt/demos.zip
Copy SDToolbox.zip and scripts-demos.zip into its own working
directory (e.g. Desktop\cantera.shock\SDToolbox.zip and Desktop\
cantera.shock\scripts-demos.zip)
Unzip the files (right click, extract all)
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Installing The SDToolboxGo to C:\Python25\Lib\site-packages and create a directory named SDToolboxCopy the unzipped SDToolbox files from above into this newly created SDToolbox directory.
There should appear; __init__.py, CV.py, PostShock.py & Thermo.py….etc
Go up 1 directory to C:\Python25\Lib\site-packages. Use any plaintext editor to create the file SDToolbox.pth (not .txt!) Type inside this file the single line "SDToolbox" (without the quotes).
Note: Using Wordpad or Notepad works for this if you save the file as the all files type (you can also modify the file extension manually after creating the file)
Go up 1 directory to C:\Python\Lib. Go to the file site.py, right click and "Edit with IDLE". In the site.py window, go to Menu->Run->Run
Module.This should initialize the SDToolbox path into Python as shown in the Python Shell output window.
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Test with SD Toolbox Demo Scripts
Go to the demo scripts directory that you unzipped the demo files into (Desktop\cantera.shock\demos in our example)
Test the demos by "Edit with IDLE" & Run Module.
Troubleshooting Note : Cantera files are scattered into 3 places: ..\Cantera, ..\Python25\Lib\site-packages\Cantera (Mixmaster &
SDToolbox too), and Program Files\Common Files\Cantera\data (where the mechanisms are put)
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Tips and hints1. Version Compatibility –Python, Cantera, and
packages must be Compatible
2. numarray – Be sure to install numarray NOT numpy or Numeric
3. Python Version – Make sure you have Python 2.5 and numarray 2.5
4. Environment Variablesa) Case Sensitivity – Make sure that all paths specified truly
exist.b) USER Environment Variables (NOT SYSTEM Environment
Variables)c) Cantera 1.7.0 – TWO New Variables
– Check that PYTHON_CMD exists and is properly defined– This is DIFFERENT than the method used for Cantera 1.6
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Tips and hints – External Documentation
5. Cantera Documentation Cantera Web Site (Currently No Windows Documentation)
http://www.cantera.org/ref/index.html SourceForge Web Site in particular Cantera17-
vcf17.pdf http://downloads.sourceforge.net/cantera/ (NOTE: Page/Slide 9 of Cantera17-vcf17.pdf NOT Necessary for basic user)
Shock & Detonation Toolbox Sitehttp://www.galcit.caltech.edu/EDL/public/cantera/html/SD_Toolbox/
6. Yahoo Cantera User Forum http://groups.yahoo.com/group/cantera/