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 <somefile.inp>
is enough.

WWW: http://wwwmsg.fi.ameslab.gov/GAMESS/

I also recived an e-mail from Mike Schmidt <mike@si.fi.ameslab.gov>
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 <mike@si.fi.ameslab.gov> 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.
:)

1 files changed, 1 insertions, 0 deletions

diff --git a/science/Makefile b/science/Makefile
index 5806bdd2f641..ed3073082569 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -34,6 +34,7 @@
     SUBDIR += felt
     SUBDIR += flounder
     SUBDIR += g3data
+    SUBDIR += gamess
     SUBDIR += gave
     SUBDIR += gchempaint
     SUBDIR += gchemutils