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
|
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|
|
|
bin/gms/gamess.00.x
|
2013-03-05 12:43:18 +01:00
|
|
|
bin/gms/gms-files.csh
|
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
|
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share/doc/gamess/INPUT.DOC
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share/doc/gamess/INTRO.DOC
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share/doc/gamess/IRON.DOC
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share/doc/gamess/PROG.DOC
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share/doc/gamess/REFS.DOC
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share/doc/gamess/TESTS.DOC
|
2007-10-01 05:49:57 +02:00
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share/doc/gamess/readme.ddi
|
2013-03-05 12:43:18 +01:00
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share/gamess/auxdata/ericfmt.dat
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share/gamess/auxdata/BASES/SPK-TZP
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share/gamess/auxdata/BASES/SPKRDZC
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share/gamess/auxdata/BASES/SPK-DZC
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share/gamess/auxdata/BASES/SPKRQZCD
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share/gamess/auxdata/BASES/SPK-QZP
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share/gamess/auxdata/BASES/SPKRTZP
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share/gamess/auxdata/BASES/SPKRDZP
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share/gamess/auxdata/BASES/SPK-AQZP
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share/gamess/auxdata/BASES/SPKRQZP
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share/gamess/auxdata/BASES/SPKRATZP
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share/gamess/auxdata/BASES/SPK-QZC
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share/gamess/auxdata/BASES/SPKRADZP
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share/gamess/auxdata/EFP/ADENI2.efp
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share/gamess/auxdata/MCP/ZFK4-DK3
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share/gamess/auxdata/MCP/MCP-QZP
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share/gamess/auxdata/MCP/ZFK3-DK3
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share/gamess/auxdata/MCP/MCPACTZP
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share/gamess/auxdata/MCP/ZFK5LDK3
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share/gamess/auxdata/MCP/MCPCQZP
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share/gamess/auxdata/MCP/ZFK3LDK3
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share/gamess/auxdata/MCP/MCPACDZP
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share/gamess/auxdata/MCP/MCP-AQZP
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share/gamess/auxdata/QUANPOL/RXNFLD3840.DAT
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share/gamess/auxdata/QUANPOL/CHARMM22.CMAP
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share/gamess/auxdata/QUANPOL/RXNFLD0060.DAT
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share/gamess/auxdata/QUANPOL/RXNFLD0240.DAT
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share/gamess/auxdata/QUANPOL/LOUT314159.TOP
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share/gamess/auxdata/QUANPOL/CHARMM22.LIB
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share/gamess/auxdata/QUANPOL/RXNFLD0960.DAT
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share/gamess/auxdata/QUANPOL/WATER4096.DAT
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share/gamess/auxdata/QUANPOL/LOUT314159.PAR
|
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
|
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share/examples/gamess/exam02.inp
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share/examples/gamess/exam03.inp
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share/examples/gamess/exam04.inp
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share/examples/gamess/exam05.inp
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share/examples/gamess/exam06.inp
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share/examples/gamess/exam07.inp
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share/examples/gamess/exam09.inp
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share/examples/gamess/exam10.inp
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share/examples/gamess/exam11.inp
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share/examples/gamess/exam13.inp
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share/examples/gamess/exam14.inp
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share/examples/gamess/exam15.inp
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share/examples/gamess/exam26.inp
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share/examples/gamess/exam32.inp
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share/examples/gamess/exam33.inp
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share/examples/gamess/exam34.inp
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share/examples/gamess/exam35.inp
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share/examples/gamess/exam36.inp
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share/examples/gamess/exam37.inp
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share/examples/gamess/exam38.inp
|
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|
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share/examples/gamess/exam40.inp
|
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share/examples/gamess/exam41.inp
|
2007-08-02 05:46:54 +02:00
|
|
|
share/examples/gamess/exam42.inp
|
2009-05-08 08:08:44 +02:00
|
|
|
share/examples/gamess/exam43.inp
|
|
|
|
|
share/examples/gamess/exam44.inp
|
2013-03-05 12:43:18 +01:00
|
|
|
share/examples/gamess/exam45.inp
|
|
|
|
|
share/examples/gamess/exam46.inp
|
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|
share/examples/gamess/exam47.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
|
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
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@dirrm share/examples/gamess
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2013-03-05 12:43:18 +01:00
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@dirrm share/gamess/auxdata/QUANPOL
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@dirrm share/gamess/auxdata/MCP
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@dirrm share/gamess/auxdata/EFP
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@dirrm share/gamess/auxdata/BASES
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@dirrm share/gamess/auxdata
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@dirrm share/gamess
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