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INSTALL
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INSTALL
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== cclib installation instructions ==
=== Requirements ===
Before you install cclib, you need to make sure that you have the following:
* Python (version 3.0 and up, although 2.7 will still work)
* NumPy (at least version 1.5 is recommended).
Python is an open-source programming language available from http://www.python.org and it is included in many Linux distributions. In Debian it is installed as follows: (as root)
apt-get install python python-dev
NumPy (Numerical Python) adds a fast array facility to Python and is available from http://www.numpy.org. Windows users should use the most recent NumPy installation for the Python version they have (2.4, 2.5). Linux users are recommended to find a binary package for their distribution. In Debian it is installed as follows: (as root)
apt-get install python-numpy
Note: Numeric (the old version of Numerical Python) is not supported by the Numerical Python developers and is not supported by cclib.
To test whether Python is on the PATH, open a command prompt window and type:
python
If Python is not on the PATH and you use Windows, add the full path to the directory containing it to the end of the PATH variable under Control Panel/System/Advanced Settings/Environment Variables. If you use Linux and Python is not on the PATH, put/edit the appropriate line in your .bashrc or similar startup file.
To test, try importing NumPy at the Python prompt. You should see something similar to the following:
$ python3
Python 3.8.2 (default, Apr 27 2020, 21:31:18)
[GCC 9.3.0] on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> import numpy
>>> numpy.__version__
'1.7'
(To exit, press CTRL+Z in Windows or CTRL+D in Linux)
=== Installing cclib ===
On Debian, Ubuntu and other derived Linux distribution, cclib can be quickly installed with the command:
aptitude install cclib
The version installed from a distribuion might not be the most recent one. To install the most recent version, first download the source code of cclib. Extract the cclib tar file or zip file at an appropriate location, which we will call INSTALLDIR. Open a command prompt and change directory to INSTALLDIR. Next, run the following commands:
python setup.py build
python setup.py install (as root)
To test, trying importing cclib at the Python prompt. You should see something similar to the following:
$ python3
Python 3.8.2 (default, Apr 27 2020, 21:31:18)
[GCC 9.3.0] on linux
Type "help", "copyright", "credits" or "license" for more information.
Press ESC for command-line completion (twice for guesses).
History is saved to ~/.pyhistory.
>>> import cclib
>>> cclib.__version__
'1.7'
To run the unit tests, change directory into INSTALLDIR/test and run the following command:
python testall.py
This tests the program using the example data files included in the INSTALLDIR/data directory.
=== What next? ===
* Read the documentation at:
http://cclib.github.io
* Read the list and specifications of the extracted data at:
http://cclib.github.io/data.html
* Send any questions to the cclib-users mailing list at:
https://lists.sourceforge.net/lists/listinfo/cclib-users.