freemol/trunk/README.TXT

FreeMOL Design Document (DRAFT ideas subject to further refinement)

Goal: 

  Aggregate a small set open-source software projects together into a
  maintainable form which can support integration with PyMOL and other
  interactive applications via platform-specific binary distributions.

Structure:

  "src" top-level directory with a set of subdirectories containing
  source code for the various FreeMOL packages

  "freemol" top-level directory is a prototype framework for holding
  executables and other required runtime files in typical "unix-like"
  subdirectories: (freemol/bin, freemol/lib, freemol/share,
  freemol/man, and so forth) The FREEMOL environment variable should
  point at this directory.

Compilation:

  Assuming the the FREEMOL environment variable has been defined,
  each package can be compiled and installed into $FREEMOL by cd'ing
  to its souce directory and issuing the following sequence of commands:

    ./configure
    make
    make install
    
  Followed by a 

    make clean

  to get rid of object code, intermediate files, etc.

Deployment:

  A FreeMOL binary distribution would be a tar or zipped archive of
  the $FREEMOL folder containing executables compiled for a specific
  architecture.  

  Installation would amount to extraction of the archive and setting
  of the FREEMOL environment variable to that PyMOL and other packages
  can subquently locate and rely upon the freemol executables.

Pragmatic decisions:

  Rely upon unix-like shell-based compilation (MinGW/Cygwin on Win32)

  Stick with standalone, command-line only packages which have few if
  any dependencies

Confirmed FreeMOL Packages:

  mengine (TJ)
  mpeg_encode (Warren)
  
Proposed FreeMOL Packages

  apbs
  python
  rdkit
  openbabel
Revision:	24
Committed:	Mon Jul 7 23:29:55 2008 UTC (12 years, 4 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