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Tue, 13 Mar 2007
[ 00:39:58 maho ] |
science A freely obtainable ab-initio molecular orbital calculation program
GAMESS is freely available ab-initio molecular orbital
calculation program calculates energy, molecular structure,
vibrational frequencies from the basic principle of quantum mechanics.
A site license for GAMESS is available at no cost to both academic
and industrial users. Please refer
We also included simple launcher called `gamess'
for your convenience. You don't set any environment variable
to run gamess. Just type
% gamess <somefile.inp>
I also recived an e-mail from Mike Schmidt <firstname.lastname@example.org>
as my inquery.
> I'm maintaining gamess port for FreeBSD only for myself,
> but I'd like to maintain this program at ports tree so that
> everyone can install gamess for FreeBSD very easily like following:
> obtain gamess-current.tar.gz then, put it to some directory, then:
> % mkdir /usr/ports/distfiles/gamess.20060907.4
> % cp gamess-current.tar.gz /usr/ports/distfiles/gamess.20060907.4/
> % cd /usr/ports/science/gamess
> % make
> % sudo make install
> will finish the compilation and installation.
> So I'd like to ask you about it.
> Can I put port such a skeleton, which is merely an installation
> instruction for FreeBSD ports tree like MPQC?
> Everyone can access this instruction publically.
> Of course, I don't expose gamess archive for public, and if gamess =20
> is not found, make stops like:
>> % make
>> =3D=3D=3D> gamess-20060907.4 You must manually get the source =20
>> distribution from master site. http://www.msg.ameslab.gov/GAMESS/=20
>> dist.menu.html. Please selsect "Source code distribution", and =20
>> check on "running on Intel compatible PC running Linux". You must =20
>> have license, but freely obtainable..
>> *** Error code 1
Mike Schmidt <email@example.com> replied as:
> I do not really object to your idea about "make" for BSD, since
> you don't include source code with it. but don't really understand
> why it would be necessary.
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