Bug 108033 – sci-chemistry/namd (new ebuild)

• Status: RESOLVED FIXED
• Product: Gentoo Linux

[Description Markus Dittrich (RETIRED) 2005-10-03 19:00:14 UTC]

Hi,

Attached are an ebuild for namd as well as several patches and the
namd license file. namd is a highly parallelizable molecular dynamics
package written in C++ and based on the charm++ parallelization
framework.

[Comment 1 Markus Dittrich (RETIRED) 2005-10-03 19:01:33 UTC]

Created attachment 69820 [details]
ebuild for namd2.6b1

[Comment 2 Markus Dittrich (RETIRED) 2005-10-03 19:02:31 UTC]

Created attachment 69821 [details, diff]
patch to make namd compile with gcc 3.4.x

[Comment 3 Markus Dittrich (RETIRED) 2005-10-03 19:03:13 UTC]

Created attachment 69822 [details, diff]
patch to adjust paths for proper linking to fftw libs

[Comment 4 Markus Dittrich (RETIRED) 2005-10-03 19:04:17 UTC]

Created attachment 69823 [details, diff]
patch to provide paths for charm++ provided includes/libraries/binaries

[Comment 5 Markus Dittrich (RETIRED) 2005-10-03 19:04:55 UTC]

Created attachment 69824 [details, diff]
patch to adjust paths for proper linking to tcl libs

[Comment 6 Markus Dittrich (RETIRED) 2005-10-03 19:06:33 UTC]

Created attachment 69825 [details]
plain text namd license file

[Comment 7 Olivier Fisette (RETIRED) 2005-10-04 17:35:32 UTC]

In CVS with a few modifications you might want to check (including a missing 
dependency on csh/tcsh).