Bug 125490 - [NEW PORT]devel/py-cclib:Parsers And Algorithms For Computational Chemistry
Summary: [NEW PORT]devel/py-cclib:Parsers And Algorithms For Computational Chemistry
Status: Closed FIXED
Alias: None
Product: Ports & Packages
Classification: Unclassified
Component: Individual Port(s) (show other bugs)
Version: Latest
Hardware: Any Any
: Normal Affects Only Me
Assignee: Martin Wilke
URL:
Keywords:
Depends on:
Blocks:
 
Reported: 2008-07-11 01:30 UTC by wenheping
Modified: 2008-07-18 13:40 UTC (History)
0 users

See Also:


Attachments
file.shar (25.68 KB, text/plain)
2008-07-11 01:30 UTC, wenheping
no flags Details

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Description wenheping 2008-07-11 01:30:12 UTC
Py-cclib is an open source library, written
in Python, for parsing and interpreting the
results of computational chemistry packages.
The current version, cclib 0.9, parses output
files from ADF, GAMESS (US), GAMESS-UK, Gaussian,
Jaguar, Molpro, ORCA and PC GAMESS.

WWW:  http://cclib.sourceforge.net/

Fix: Patch attached with submission follows:
Comment 1 Edwin Groothuis freebsd_committer 2008-07-11 01:30:29 UTC
Responsible Changed
From-To: freebsd-ports-bugs->miwi

miwi@ wants his PRs (via the GNATS Auto Assign Tool)
Comment 2 Martin Wilke freebsd_committer 2008-07-18 13:34:31 UTC
State Changed
From-To: open->closed

Committed. Thanks!
Comment 3 dfilter service freebsd_committer 2008-07-18 13:35:58 UTC
miwi        2008-07-18 12:35:46 UTC

  FreeBSD ports repository

  Modified files:
    devel                Makefile 
  Added files:
    devel/py-cclib       Makefile distinfo pkg-descr pkg-plist 
    devel/py-cclib/files patch-setup.py 
  Log:
  Py-cclib is an open source library, written in Python, for parsing and
  interpreting the results of computational chemistry packages. The current
  version, cclib 0.9, parses output files from ADF, GAMESS (US), GAMESS-UK,
  Gaussian, Jaguar, Molpro, ORCA and PC GAMESS.
  
  WWW:  http://cclib.sourceforge.net/
  
  PR:             ports/125490
  Submitted by:   Wen Heping <wenheping at gmail.com>
  
  Revision  Changes    Path
  1.3131    +1 -0      ports/devel/Makefile
  1.1       +20 -0     ports/devel/py-cclib/Makefile (new)
  1.1       +3 -0      ports/devel/py-cclib/distinfo (new)
  1.1       +13 -0     ports/devel/py-cclib/files/patch-setup.py (new)
  1.1       +6 -0      ports/devel/py-cclib/pkg-descr (new)
  1.1       +389 -0    ports/devel/py-cclib/pkg-plist (new)
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