./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)


   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
   2023-06-22 14:08:24 by Jason Bacon | Files touched by this commit (4) 
Log message:
biology/mopac: Switch from mopac7 to latest openmopac

Unbreaks build on multiple platforms
Derived from FreeBSD port using wip/fbsd2pkg
   2021-10-26 12:03:45 by Nia Alarie | Files touched by this commit (73) 
Log message:
biology: Replace RMD160 checksums with BLAKE2s checksums

All checksums have been double-checked against existing RMD160 and
SHA512 hashes