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Message-Id: <200208140201.g7E21c99002838@www.freebsd.org>
Date: Tue, 13 Aug 2002 19:01:38 -0700 (PDT)
From: Nakata Maho <chat95@mbox.kyoto-inet.or.jp>
To: freebsd-gnats-submit@FreeBSD.org
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Subject: ports/41648: Maintainer update of ports (science/MPQC) and new port for graphical interface for it
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>Number:         41648
>Category:       ports
>Synopsis:       Maintainer update of ports (science/MPQC) and new port for graphical interface for it
>Confidential:   no
>Severity:       serious
>Priority:       medium
>Responsible:    freebsd-ports
>State:          open
>Quarter:        
>Keywords:       
>Date-Required:
>Class:          change-request
>Submitter-Id:   current-users
>Arrival-Date:   Tue Aug 13 19:10:01 PDT 2002
>Closed-Date:
>Last-Modified:
>Originator:     Nakata Maho
>Release:        4.6-STABLE
>Organization:
Private
>Environment:
FreeBSD debussy.private.org 4.6-STABLE FreeBSD 4.6-STABLE #0: Fri Jul 26 09:50:34 JST 2002     maho@debussy.private.org:/work/cvsup/src/sys/compile/MAHO-DEBUSSY-4.x-STABLE  i386 
>Description:
I updated a port for science/mpqc, which computes
accurate atom and molecular energies by various methods
from first principle. In this update,
1. Installes Scientific tool kits, manuals, test suites. Some programs requires scientific tool kits
included in MPQC, however, former ports doesn't install
them. test suites are also important. Such numerical programs very very sensitive on the platform. So now we can check by this test suite.

I also enclosed Ghemical, graphical interface for quantum
chemistry. Of course, it supports MPQC. Graphical interface for MPQC is very useful, just clicking on the screen and input complex molecules(which is practical by inputting by hand in some cases), and calculate various properties, just using GUI!!
Please see some screen shot at: http://www.uku.fi/~thassine/ghemical/
Are they beautiful, isn't it? (Yes I'm also a chemist)

Dear committers, would you please consider
1. update MPQC ports
2. add new port ghemical, graphical interface for MPQC.

Portlint says nothing for ghemical,
and 1 warning for MPQC, however this might not be a
problem(this is just a "make install")

Anyway, I would give many thanks for you who are interested in my ports, and huge efforts for checking
my ports.

Sincirely,
 Nakata, Maho 

>How-To-Repeat:
      
>Fix:
begin 644 ghemical-2002-8-14.tar.gz
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`
end

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`
end
>Release-Note:
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