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 (13 years, 10 months ago) by wdelano
File size:	1770 byte(s)
Log Message:	updated readme
Line	File contents
1	FreeMOL Design Document (DRAFT ideas subject to further refinement)
2
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	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	Deployment:
37
38	A FreeMOL binary distribution would be a tar or zipped archive of
39	the $FREEMOL folder containing executables compiled for a specific
40	architecture.
41
42	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	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	mengine (TJ)
56	mpeg_encode (Warren)
57
58	Proposed FreeMOL Packages
59
60	apbs
61	python
62	rdkit
63	openbabel