The FreeBSD Ports Archive
FreeBSD science  : gamess
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
http://www.msg.ameslab.gov/gamess/download.html
for details.
We also included simple launcher called `gamess'
for your convenience. You don't set any environment variable
to run gamess. Just type
% gamess
is enough.
http://www.msg.ameslab.gov/gamess/gamess.html
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gamess history
v. 1.5
date: 2007/10/01 03:49:56; author: maho; state: Exp; lines: +3 -0
1. Remove limit stacksize line for SysV shared memory size.
2. install mpcdata as well.
Submitted by: "M. L. Dodson"
v. 1.4
date: 2007/08/13 02:57:58; author: maho; state: Exp; lines: +2 -2
Update URIs.
Spotted by: kris
v. 1.3
date: 2007/08/02 03:46:54; author: maho; state: Exp; lines: +4 -5
Update to 20070524.3.
v. 1.2
date: 2007/07/14 01:39:34; author: maho; state: Exp; lines: +1 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.1
date: 2007/03/13 00:39:57; author: maho; state: Exp;
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
http://wwwmsg.fi.ameslab.gov/GAMESS/dist.menu.html
for details.
We also included simple launcher called `gamess'
for your convenience. You don't set any environment variable
to run gamess. Just type
% gamess
is enough.
WWW: http://wwwmsg.fi.ameslab.gov/GAMESS/
I also recived an e-mail from Mike Schmidt
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?
> http://www.freebsd.org/cgi/cvsweb.cgi/ports/science/mpqc/
> Everyone can access this instruction publically.
> Of course, I don't expose gamess archive for public, and if gamess =20
> archive
> 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 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.
:)
=============================================================================
v. 1.5
date: 2007/10/01 03:49:56; author: maho; state: Exp; lines: +3 -0
1. Remove limit stacksize line for SysV shared memory size.
2. install mpcdata as well.
Submitted by: "M. L. Dodson"
v. 1.4
date: 2007/08/13 02:57:58; author: maho; state: Exp; lines: +2 -2
Update URIs.
Spotted by: kris
v. 1.3
date: 2007/08/02 03:46:54; author: maho; state: Exp; lines: +4 -5
Update to 20070524.3.
v. 1.2
date: 2007/07/14 01:39:34; author: maho; state: Exp; lines: +1 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.1
date: 2007/03/13 00:39:57; author: maho; state: Exp;
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
http://wwwmsg.fi.ameslab.gov/GAMESS/dist.menu.html
for details.
We also included simple launcher called `gamess'
for your convenience. You don't set any environment variable
to run gamess. Just type
% gamess
is enough.
WWW: http://wwwmsg.fi.ameslab.gov/GAMESS/
I also recived an e-mail from Mike Schmidt
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?
> http://www.freebsd.org/cgi/cvsweb.cgi/ports/science/mpqc/
> Everyone can access this instruction publically.
> Of course, I don't expose gamess archive for public, and if gamess =20
> archive
> 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 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.
:)
=============================================================================
v. 1.5
date: 2007/10/01 03:49:56; author: maho; state: Exp; lines: +3 -0
1. Remove limit stacksize line for SysV shared memory size.
2. install mpcdata as well.
Submitted by: "M. L. Dodson"
v. 1.4
date: 2007/08/13 02:57:58; author: maho; state: Exp; lines: +2 -2
Update URIs.
Spotted by: kris
v. 1.3
date: 2007/08/02 03:46:54; author: maho; state: Exp; lines: +4 -5
Update to 20070524.3.
v. 1.2
date: 2007/07/14 01:39:34; author: maho; state: Exp; lines: +1 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.1
date: 2007/03/13 00:39:57; author: maho; state: Exp;
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
http://wwwmsg.fi.ameslab.gov/GAMESS/dist.menu.html
for details.
We also included simple launcher called `gamess'
for your convenience. You don't set any environment variable
to run gamess. Just type
% gamess
is enough.
WWW: http://wwwmsg.fi.ameslab.gov/GAMESS/
I also recived an e-mail from Mike Schmidt
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?
> http://www.freebsd.org/cgi/cvsweb.cgi/ports/science/mpqc/
> Everyone can access this instruction publically.
> Of course, I don't expose gamess archive for public, and if gamess =20
> archive
> 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 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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