./biology/mopac, Semi-empirical (MNDO, etc.) molecular orbital calculation

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Branch: CURRENT, Version: 22.0.6nb1, Package name: mopac-22.0.6nb1, Maintainer: pkgsrc-users

MOPAC (Molecular Orbital PACkage) is a semiempirical quantum chemistry
program based on Dewar and Thiel's NDDO approximation.

Master sites:

Filesize: 15415.237 KB

Version history: (Expand)

CVS history: (Expand)


   2025-10-09 09:58:14 by Thomas Klausner | Files touched by this commit (442) 
Log message:
*: remove reference to (removed) Python 3.9
   2025-07-03 21:18:12 by Thomas Klausner | Files touched by this commit (92) 
Log message:
*: py-numpy needs Python >= 3.11 now
   2024-10-14 08:46:10 by Thomas Klausner | Files touched by this commit (325) 
Log message:
*: clean-up after python38 removal
   2023-12-15 14:50:36 by Thomas Klausner | Files touched by this commit (1) 
Log message:
mopac: pkgsrc-users can't be OWNER, make it MAINTAINER
   2023-08-14 07:25:36 by Thomas Klausner | Files touched by this commit (1247) 
Log message:
*: recursive bump for Python 3.11 as new default
   2023-08-02 01:20:57 by Thomas Klausner | Files touched by this commit (158) 
Log message:
*: remove more references to Python 3.7
   2023-07-01 10:37:47 by Thomas Klausner | Files touched by this commit (105) | Package updated
Log message:
*: restrict py-numpy users to 3.9+ in preparation for update
   2023-06-22 14:15:10 by Thomas Klausner | Files touched by this commit (3) | Package removed
Log message:
mopac: remove patches removed from distinfo during update