ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/freemol/trunk/README.TXT
Revision: 24
Committed: Mon Jul 7 23:29:55 2008 UTC (11 years, 3 months ago) by wdelano
File size: 1770 byte(s)
Log Message:
updated readme
Line User Rev File contents
1 wdelano 24 FreeMOL Design Document (DRAFT ideas subject to further refinement)
2 wdelano 21
3     Goal:
4    
5     Aggregate a small set open-source software projects together into a
6     maintainable form which can support integration with PyMOL and other
7     interactive applications via platform-specific binary distributions.
8    
9     Structure:
10    
11     "src" top-level directory with a set of subdirectories containing
12     source code for the various FreeMOL packages
13    
14     "freemol" top-level directory is a prototype framework for holding
15     executables and other required runtime files in typical "unix-like"
16     subdirectories: (freemol/bin, freemol/lib, freemol/share,
17     freemol/man, and so forth) The FREEMOL environment variable should
18     point at this directory.
19    
20 wdelano 24 Compilation:
21    
22     Assuming the the FREEMOL environment variable has been defined,
23     each package can be compiled and installed into $FREEMOL by cd'ing
24     to its souce directory and issuing the following sequence of commands:
25    
26     ./configure
27     make
28     make install
29    
30     Followed by a
31    
32     make clean
33    
34     to get rid of object code, intermediate files, etc.
35    
36 wdelano 21 Deployment:
37    
38     A FreeMOL binary distribution would be a tar or zipped archive of
39 wdelano 24 the $FREEMOL folder containing executables compiled for a specific
40     architecture.
41 wdelano 21
42 wdelano 24 Installation would amount to extraction of the archive and setting
43     of the FREEMOL environment variable to that PyMOL and other packages
44     can subquently locate and rely upon the freemol executables.
45    
46 wdelano 21 Pragmatic decisions:
47    
48     Rely upon unix-like shell-based compilation (MinGW/Cygwin on Win32)
49    
50     Stick with standalone, command-line only packages which have few if
51     any dependencies
52    
53     Confirmed FreeMOL Packages:
54    
55 wdelano 24 mengine (TJ)
56     mpeg_encode (Warren)
57 wdelano 21
58     Proposed FreeMOL Packages
59    
60     apbs
61     python
62     rdkit
63     openbabel