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freebsd-ports/science/gamess/Makefile

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Add NO_STAGE all over the place in preparation for the staging support (cat: science)
2013-09-20 22:48:30 +00:00
# Created by: NAKATA Maho <maho@FreeBSD.org>
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 00:39:58 +00:00
# $FreeBSD$
PORTNAME= gamess
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
PORTVERSION= ${SNAPDATE}
Update the default version of GCC used in the Ports Collection from GCC 4.6.4 to GCC 4.7.3. This entails updating the lang/gcc port as well as changing the default in Mk/bsd.default-versions.mk. Part II, Bump PORTREVISIONs. PR: 182136 Supported by: Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports) Tested by: bdrewery (two -exp runs)
2014-03-10 20:55:20 +00:00
PORTREVISION= 1
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 00:39:58 +00:00
CATEGORIES= science
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
MASTER_SITES= #http://www.msg.ameslab.gov/GAMESS/License_Agreement.html
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 00:39:58 +00:00
DISTNAME= gamess-current
Update to 20070524.3.
2007-08-02 03:46:54 +00:00
DIST_SUBDIR= ${PORTNAME}/${PORTVERSION}
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 00:39:58 +00:00
MAINTAINER= maho@FreeBSD.org
COMMENT= A freely obtainable ab-initio molecular orbital calculation program
Convert all USE_FORTRAN=yes to "USES=fortran, USE_GCC=yes". In most cases USE_GCC=yes has been omitted though. Remove USE_FORTRAN handling from bsd.port.mk and bsd.gcc.mk. Minor cleanups in some ports like USE_GMAKE, NOPORTDOCS,... Exp-run: bdrewery Approved by: portmgr (bdrewery)
2014-02-16 17:15:31 +00:00
USES= fortran gmake
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
WRKSRC= ${WRKDIR}/gamess
Update to 20130501 R1 version
2013-11-29 01:44:57 +00:00
SNAPDATE= 20130501.1
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 00:39:58 +00:00
LEGAL: fix multiple ports Rename lang/dmd -> lang/dmd1 (cy) Merge legal text for net/vmware-vsphere-cli (zi) Fix sysutils/tarsnap to have text in LEGAL (cperciva) games/linux-savage restricted reason (acm) text edit for archivers/rar (gabor) copy from port to LEGAL for lang/ifc (maho) copy from LEGAL to port for science/gamess (maho) add LEGAL_PACKAGE to lang/dmd1 (cy) This brings the total number of ports with issues to below 100 Approved by: portmgr (implicit)
2014-05-17 07:24:47 +00:00
RESTRICTED= No Redistribution
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 00:39:58 +00:00
.if !exists(${DISTDIR}/${DISTFILES})
Fix typo.
2012-09-14 05:47:44 +00:00
IGNORE=you must manually get the source distribution from master site. http://www.msg.ameslab.gov/GAMESS/download.html. Please select "Source code distribution", and check on "running on Intel compatible PC running Linux". You must have license, and freely obtainable
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 00:39:58 +00:00
.endif
uncomment MANUAL_PACKAGE_BUILD.
2013-11-29 01:45:50 +00:00
MANUAL_PACKAGE_BUILD=You must manually get the source distribution from master site. http://www.msg.ameslab.gov/GAMESS/download.html. Please select "Source code distribution", and check on "running on Intel compatible PC running Linux". You must have license, and freely obtainable.
Add MANUAL_PACKAGE_BUILD.
2008-01-07 00:21:31 +00:00
Add NO_STAGE all over the place in preparation for the staging support (cat: science)
2013-09-20 22:48:30 +00:00
NO_STAGE= yes
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 00:39:58 +00:00
.include <bsd.port.pre.mk>
Fix build with recent update of gotoblas(2). Feature safe: yes
2010-02-16 05:51:43 +00:00
.if exists(${LOCALBASE}/lib/libgoto2.so)
adjust linking and comments in dependent ports after the math/atlas update; math/atlas-devel will be updated to use the same constructs at a later date PR: 162706 Approved by: miwi (portmgr) Feature safe: yes
2011-11-22 11:14:10 +00:00
WITH_BLAS?= gotoblas
.elif exists(${LOCALBASE}/lib/libatlas.so)
WITH_BLAS?= atlas
.else
WITH_BLAS?= reference
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 00:39:58 +00:00
.endif
Update to 20090112 R1 version.
2009-05-08 06:08:44 +00:00
adjust linking and comments in dependent ports after the math/atlas update; math/atlas-devel will be updated to use the same constructs at a later date PR: 162706 Approved by: miwi (portmgr) Feature safe: yes
2011-11-22 11:14:10 +00:00
. if ${WITH_BLAS} == reference
Update to 20130501 R1 version
2013-11-29 01:44:57 +00:00
LIB_DEPENDS+= blas:${PORTSDIR}/math/blas
LIB_DEPENDS+= lapack:${PORTSDIR}/math/lapack
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 00:39:58 +00:00
BLAS= -lblas
Update to 20090112 R1 version.
2009-05-08 06:08:44 +00:00
LAPACK= -llapack
adjust linking and comments in dependent ports after the math/atlas update; math/atlas-devel will be updated to use the same constructs at a later date PR: 162706 Approved by: miwi (portmgr) Feature safe: yes
2011-11-22 11:14:10 +00:00
.elif ${WITH_BLAS} == gotoblas
Fix build with recent update of gotoblas(2). Feature safe: yes
2010-02-16 05:51:43 +00:00
LIB_DEPENDS+= goto2:${PORTSDIR}/math/gotoblas
BLAS= -lgoto2p
LAPACK= -lgoto2p
adjust linking and comments in dependent ports after the math/atlas update; math/atlas-devel will be updated to use the same constructs at a later date PR: 162706 Approved by: miwi (portmgr) Feature safe: yes
2011-11-22 11:14:10 +00:00
.elif ${WITH_BLAS} == atlas
Update to 20090112 R1 version.
2009-05-08 06:08:44 +00:00
LIB_DEPENDS+= atlas:${PORTSDIR}/math/atlas
adjust linking and comments in dependent ports after the math/atlas update; math/atlas-devel will be updated to use the same constructs at a later date PR: 162706 Approved by: miwi (portmgr) Feature safe: yes
2011-11-22 11:14:10 +00:00
BLAS= -lptf77blas
LAPACK= -lalapack -lptcblas
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 00:39:58 +00:00
.endif
.if defined(WITH_OPTIMIZED_FLAGS)
.if ${ARCH} == "amd64"
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
CFLAGS+= -pipe -O3 -ffast-math -funroll-all-loops -fpeel-loops -ftracer -funswitch-loops -funit-at-a-time
FFLAGS+= -pipe -O3 -ffast-math -funroll-all-loops -fpeel-loops -ftracer -funswitch-loops -funit-at-a-time
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 00:39:58 +00:00
.elif ${ARCH} == "i386"
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
CFLAGS+= -pipe -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double -mcpu=i686 -march=i686 -mfancy-math-387
FFLAGS+= -pipe -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double -mcpu=i686 -march=i686 -mfancy-math-387
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 00:39:58 +00:00
.endif
.endif
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
#WITH_IFC= yes #currently building with ifc is broken
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 00:39:58 +00:00
.if defined(WITH_IFC)
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
FC= ${LOCALBASE}/intel_fc_80/bin/ifort
F77= ${LOCALBASE}/intel_fc_80/bin/ifort
CC= ${LOCALBASE}/intel_cc_80/bin/icc
FFLAGS= -axP -xW -ipo -O3 -Vaxlib
CFLAGS= -axP -xW -ipo -O3 -Vaxlib
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 00:39:58 +00:00
LIBSVM= -lsvml
Remove all space characters from Makefile assignments. No functional changes included. CR: D193 (except math/sedumi) Approved by: portmgr (bapt)
2014-06-08 19:51:27 +00:00
LIBG2C= -lg2c
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 00:39:58 +00:00
.else
LIBG2C=
LIBSVM=
.endif
.if defined(WITH_IFC)
FORTRAN= ifort
.else
FORTRAN= gfortran
.endif
pre-build:
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${CP} ${FILESDIR}/install.info ${WRKSRC}
${CP} ${FILESDIR}/Makefile.top ${WRKSRC}/Makefile
@${REINPLACE_CMD} -e 's+%%PREFIX%%+${PREFIX}+g' ${WRKSRC}/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 00:39:58 +00:00
.if ${ARCH} == "amd64"
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/comp
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/compall
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/ddi/compddi
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/lked
@${REINPLACE_CMD} -e 's+%%GMS_TARGET%%+freebsd64+g' ${WRKSRC}/install.info
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 00:39:58 +00:00
.elif ${ARCH} == "i386"
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/comp
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/compall
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/ddi/compddi
@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/lked
@${REINPLACE_CMD} -e 's+%%GMS_TARGET%%+freebsd32+g' ${WRKSRC}/install.info
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 00:39:58 +00:00
.endif
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
@${REINPLACE_CMD} -e 's+%%GMS_PATH%%+${WRKSRC}+g ; \
s+%%GMS_BUILD_DIR%%+${WRKSRC}+g ; \
s+%%GMS_FORTRAN%%+${FORTRAN}+g ; \
s+%%FC%%+${FC}+g ; \
s+%%GMS_GFORTRAN_VERNO%%+${GCC_DEFAULT_VERSION}+g ; \
s+%%GMS_DDI_COMM%%+sockets+g ; \
s+%%GMS_MATHLIB%%+none+g ; \
s+%%GMS_MATHLIB_PATH%%+${LOCALBASE}/lib+g' ${WRKSRC}/install.info
${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
Build fix for recent update of USE_FORTRAN to using gcc46.
2011-10-18 01:57:23 +00:00
s+%%LDFLAGS%%+${LDFLAGS}+g ; \
Update to 20070524.3.
2007-08-02 03:46:54 +00:00
s+%%LOCALBASE%%+${LOCALBASE}+g ; \
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 00:39:58 +00:00
s+%%LIBSVM%%+${LIBSVM}+g ; \
s+%%LIBG2C%%+${LIBG2C}+g ; \
s+%%BLAS%%+${BLAS}+g ; \
s+%%PTHREAD_LIBS%%+${PTHREAD_LIBS}+g' \
${WRKSRC}/lked
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
s+%%FFLAGS%%+${FFLAGS}+g' \
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 00:39:58 +00:00
${WRKSRC}/comp
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${REINPLACE_CMD} -e 's+%%CC%%+${CC}+g' \
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 00:39:58 +00:00
${WRKSRC}/compall
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${REINPLACE_CMD} -e 's+%%PREFIX%%+${PREFIX}+g' \
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 00:39:58 +00:00
${WRKSRC}/rungms
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
s+%%GMS_FORTRAN%%+${FORTRAN}+g ; \
s+%%PTHREAD_CFLAGS%%+${PTHREAD_CFLAGS}+g ; \
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 00:39:58 +00:00
s+%%PTHREAD_LIBS%%+${PTHREAD_LIBS}+g ; \
s+%%UNDERSCORES%%+${UNDERSCORES}+g ; \
s+%%CC%%+${CC}+g' \
${WRKSRC}/ddi/compddi
${CP} ${FILESDIR}/Makefile.tools ${WRKSRC}/tools/Makefile
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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 00:39:58 +00:00
s+%%FFLAGS%%+${FFLAGS}+g' \
${WRKSRC}/tools/Makefile
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
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 00:39:58 +00:00
do-build:
Convert GMAKE to MAKE_CMD Please note that lots of invocation of MAKE_CMD here are wrong as they do not properly respect MAKE_ENV and friends With hat: portmgr
2014-06-25 05:35:31 +00:00
(cd ${WRKSRC}; ${MAKE_CMD})
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 00:39:58 +00:00
do-install:
${MKDIR} ${PREFIX}/bin/gms
${MKDIR} ${PREFIX}/share/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 03:49:57 +00:00
${MKDIR} ${PREFIX}/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 00:39:58 +00:00
${MKDIR} ${PREFIX}/share/doc/gamess
${MKDIR} ${PREFIX}/share/examples/gamess
${INSTALL_SCRIPT} ${WRKDIR}/gamess/rungms ${PREFIX}/bin/gamess
${CHMOD} 555 ${PREFIX}/bin/gamess
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${INSTALL_SCRIPT} ${WRKDIR}/gamess/gms-files.csh ${PREFIX}/bin/gms
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 00:39:58 +00:00
${INSTALL_PROGRAM} ${WRKDIR}/gamess/gamess.00.x ${PREFIX}/bin/gms
${INSTALL_PROGRAM} ${WRKDIR}/gamess/ddi/ddikick.x ${PREFIX}/bin/gms
${INSTALL_DATA} ${WRKDIR}/gamess/*.DOC ${PREFIX}/share/doc/gamess/
update to 2012/5/1 R2 version.
2013-03-05 11:43:18 +00:00
${INSTALL_DATA} ${WRKDIR}/gamess/tests/standard/*.inp ${PREFIX}/share/examples/gamess/
${MKDIR} ${PREFIX}/share/gamess/auxdata
${MKDIR} ${PREFIX}/share/gamess/auxdata/BASES
${MKDIR} ${PREFIX}/share/gamess/auxdata/EFP
${MKDIR} ${PREFIX}/share/gamess/auxdata/MCP
${MKDIR} ${PREFIX}/share/gamess/auxdata/QUANPOL
${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/ericfmt.dat ${PREFIX}/share/gamess/auxdata/
${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/BASES/* ${PREFIX}/share/gamess/auxdata/BASES
${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/EFP/* ${PREFIX}/share/gamess/auxdata/EFP
${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/MCP/* ${PREFIX}/share/gamess/auxdata/MCP
${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/QUANPOL/* ${PREFIX}/share/gamess/auxdata/QUANPOL
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 03:49:57 +00:00
${INSTALL_DATA} ${WRKDIR}/gamess/ddi/readme.ddi ${PREFIX}/share/doc/gamess/
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 00:39:58 +00:00
.include <bsd.port.post.mk>
Reference in New Issue Copy Permalink