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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. :)
2007-03-13 01:39:58 +01:00
bin/gamess
bin/gms/ddikick.x
bin/gms/gamess.00.x
share/doc/gamess/INPUT.DOC
share/doc/gamess/INTRO.DOC
share/doc/gamess/IRON.DOC
share/doc/gamess/PROG.DOC
share/doc/gamess/REFS.DOC
share/doc/gamess/TESTS.DOC
1. Remove limit stacksize line for SysV shared memory size. 2. install mpcdata as well. Submitted by: "M. L. Dodson" <activesitedynamics@comcast.net>
2007-10-01 05:49:57 +02:00
share/doc/gamess/readme.ddi
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. :)
2007-03-13 01:39:58 +01:00
share/gamess/ericfmt.dat
1. Remove limit stacksize line for SysV shared memory size. 2. install mpcdata as well. Submitted by: "M. L. Dodson" <activesitedynamics@comcast.net>
2007-10-01 05:49:57 +02:00
share/gamess/mcpdata/IMCP-NR1
share/gamess/mcpdata/IMCP-NR2
share/gamess/mcpdata/IMCP-SR1
share/gamess/mcpdata/IMCP-SR2
share/gamess/mcpdata/MCP-DZP
share/gamess/mcpdata/MCP-QZP
share/gamess/mcpdata/MCP-TZP
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. :)
2007-03-13 01:39:58 +01:00
share/examples/gamess/exam01.inp
share/examples/gamess/exam02.inp
share/examples/gamess/exam03.inp
share/examples/gamess/exam04.inp
share/examples/gamess/exam05.inp
share/examples/gamess/exam06.inp
share/examples/gamess/exam07.inp
share/examples/gamess/exam08.inp
share/examples/gamess/exam09.inp
share/examples/gamess/exam10.inp
share/examples/gamess/exam11.inp
share/examples/gamess/exam12.inp
share/examples/gamess/exam13.inp
share/examples/gamess/exam14.inp
share/examples/gamess/exam15.inp
share/examples/gamess/exam16.inp
share/examples/gamess/exam17.inp
share/examples/gamess/exam18.inp
share/examples/gamess/exam19.inp
share/examples/gamess/exam20.inp
share/examples/gamess/exam21.inp
share/examples/gamess/exam22.inp
share/examples/gamess/exam23.inp
share/examples/gamess/exam24.inp
share/examples/gamess/exam25.inp
share/examples/gamess/exam26.inp
share/examples/gamess/exam27.inp
share/examples/gamess/exam28.inp
share/examples/gamess/exam29.inp
share/examples/gamess/exam30.inp
share/examples/gamess/exam31.inp
share/examples/gamess/exam32.inp
share/examples/gamess/exam33.inp
share/examples/gamess/exam34.inp
share/examples/gamess/exam35.inp
share/examples/gamess/exam36.inp
share/examples/gamess/exam37.inp
share/examples/gamess/exam38.inp
share/examples/gamess/exam39.inp
share/examples/gamess/exam40.inp
share/examples/gamess/exam41.inp
Update to 20070524.3.
2007-08-02 05:46:54 +02:00
share/examples/gamess/exam42.inp
Update to 20090112 R1 version.
2009-05-08 08:08:44 +02:00
share/examples/gamess/exam43.inp
share/examples/gamess/exam44.inp
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. :)
2007-03-13 01:39:58 +01:00
@dirrm bin/gms
@dirrm share/doc/gamess
1. Remove limit stacksize line for SysV shared memory size. 2. install mpcdata as well. Submitted by: "M. L. Dodson" <activesitedynamics@comcast.net>
2007-10-01 05:49:57 +02:00
@dirrm share/gamess/mcpdata
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. :)
2007-03-13 01:39:58 +01:00
@dirrm share/gamess
@dirrm share/examples/gamess
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