File: INSTALL

package info (click to toggle)
cclib 1.0.1-2
  • links: PTS, VCS
  • area: main
  • in suites: wheezy
  • size: 528 kB
  • sloc: python: 4,534; makefile: 15
file content (69 lines) | stat: -rw-r--r-- 3,024 bytes parent folder | download | duplicates (4)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
== cclib installation instructions ==

=== Requirements ===

Before you install cclib, you need to make sure that you have the following:
*   Python (at least version 2.4)
*   NumPy (at least version 1.0 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:

        $ python
        Python 2.5 (r25:51908, Apr 18 2007, 13:15:19) 
        [GCC 3.4.6 (Debian 3.4.6-5)] on linux2
        Type "help", "copyright", "credits" or "license" for more information.
        >>> import numpy
        >>> numpy.__version__
        '1.0.2'

(To exit, press CTRL+Z in Windows or CTRL+D in Linux)

=== Installing 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:

	$ python
	Python 2.4.1
	[GCC 3.3.5 (Debian 1:3.3.5-13)] on linux2
	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__
	'0.8'

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 tutorial at:
	http://sourceforge.net/apps/mediawiki/cclib/index.php?title=Using_cclib
* Read the list and specifications of the extracted data at:
	http://sourceforge.net/apps/mediawiki/cclib/index.php?title=Parsed_Data
* Send any questions to the cclib-users mailing list at:
	https://lists.sourceforge.net/lists/listinfo/cclib-users.