Initial import of molden-3.7 to the NetBSD packages collection.
MOLDEN is a package for displaying molecular density. It is tuned to the Ab Initio packages GAMESS* and GAUSSIAN. It can read all the information it needs from a GAMESS or GAUSSIAN outputfile. In this form it has been running on a CONVEX C-120, an APOLLO DN10000, an IRIS 4D/70GT, a DECSTATION 5000 and a SUN, and in slightly adapted versions on a VAX and a CRAY-YMP. It should run smoothly on most Unix machines. See section INSTALLATION GUIDE on how to install MOLDEN. (* The GAMESS version referred to here is the european version maintaned by M.F. Guest et al not to be confused with the american version maintained by M.W. Schmidt et al) This package was provided by Osamu OISHI and modified slightly by me.
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22
misc/molden/DESCR
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misc/molden/DESCR
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MOLDEN is a package for displaying molecular density. It is tuned to
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the Ab Initio packages GAMESS* and GAUSSIAN. It can read all the
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information it needs from a GAMESS or GAUSSIAN outputfile. In this
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form it has been running on a CONVEX C-120, an APOLLO DN10000, an
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IRIS 4D/70GT, a DECSTATION 5000 and a SUN, and in slightly adapted
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versions on a VAX and a CRAY-YMP. It should run smoothly on most
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Unix machines. See section INSTALLATION GUIDE on how to install
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MOLDEN. (* The GAMESS version referred to here is the european
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version maintaned by M.F. Guest et al not to be confused with the
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american version maintained by M.W. Schmidt et al)
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/***************************************************************************
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Copyright (C) 1991 Gijs Schaftenaar
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Permission to use, copy this software and its documentation
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for private use is hereby granted to non profit organisations.
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This software is provided "as is" without express or implied warranty.
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Please cite the author in any work based on this material.
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***************************************************************************
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7
misc/molden/MESSAGE
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misc/molden/MESSAGE
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======================================================================
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$NetBSD: MESSAGE,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
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Please register at the below as a Molden User.
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http://www.cmbi.kun.nl/~schaft/molden/form.html
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======================================================================
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45
misc/molden/Makefile
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misc/molden/Makefile
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# $NetBSD: Makefile,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
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DISTNAME= molden3.7
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PKGNAME= molden-3.7
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CATEGORIES= misc # chemistry
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MASTER_SITES= ftp://ftp.cmbi.kun.nl/pub/molgraph/molden/
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EXTRACT_SUFX= .tar.Z
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MAINTAINER= oishi@ims.ac.jp
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HOMEPAGE= http://www.cmbi.kun.nl/~schaft/molden/molden.html
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COMMENT= displaying MOLecular DENsity
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MAKEFILE= makefile
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ALL_TARGET= molden
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USE_FORTRAN= # defined
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LICENSE= molden-license
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RESTRICTED= "Redistributing Molden by unregistered user is prohibited."
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NO_SRC_ON_CDROM= ${RESTRICTED}
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NO_BIN_ON_CDROM= ${RESTRICTED}
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NO_SRC_ON_FTP= ${RESTRICTED}
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NO_BIN_ON_FTP= ${RESTRICTED}
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_FETCH_MESSAGE= \
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${ECHO} "======================================================================"; \
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${ECHO} " Please read the WWW page below to know how to get a copy of Molden."; \
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${ECHO} ; \
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${ECHO} " http://www.cmbi.kun.nl/~schaft/molden/howtoget.html"; \
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${ECHO} ; \
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${ECHO} " Then put the file ${DISTNAME}${EXTRACT_SUFX} into ${DISTDIR}."; \
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${ECHO} "======================================================================"
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do-install:
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${INSTALL_PROGRAM} ${WRKSRC}/molden ${PREFIX}/bin/
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for d in doc test utils ; do \
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${INSTALL_DATA_DIR} ${PREFIX}/share/molden/$$d ; \
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for f in ${WRKSRC}/$$d/* ; do \
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${INSTALL_DATA} $$f ${PREFIX}/share/molden/$$d ; \
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done ; \
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done
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.include "../../graphics/Mesa/buildlink.mk"
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.include "../../mk/x11.buildlink.mk"
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.include "../../mk/bsd.pkg.mk"
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54
misc/molden/PLIST
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misc/molden/PLIST
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@comment $NetBSD: PLIST,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
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bin/molden
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share/molden/doc/figures.ps.Z
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share/molden/doc/manual.ps.Z
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share/molden/doc/manual.txt.Z
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share/molden/test/adf.molf
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share/molden/test/ampac.arc
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share/molden/test/ampac.test
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share/molden/test/bucky.xyz
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share/molden/test/chemx.test
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share/molden/test/complex2.out
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share/molden/test/esp.test
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share/molden/test/esp.txt
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share/molden/test/esp.xyz
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share/molden/test/fragment
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share/molden/test/gamess_uk.freq
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share/molden/test/gamess_uk.input
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share/molden/test/gamess_uk.test1
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share/molden/test/gamess_uk.test2
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share/molden/test/gamess_us.h2o_631g_opt.out
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share/molden/test/gamess_us.irc
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share/molden/test/gamess_us_uhf_opt
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share/molden/test/gaussian.freq
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share/molden/test/gaussian.input
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share/molden/test/gaussian.test
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share/molden/test/jaguar.cube
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share/molden/test/molden.ogl
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share/molden/test/mopac.freq
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share/molden/test/mopac.test
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share/molden/test/pdb.test
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share/molden/test/reacpth.xyz
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share/molden/test/shelx.ins
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share/molden/test/surface.molf
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share/molden/test/test.fdat
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share/molden/test/test.mol2
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share/molden/test/test_homo.cube
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share/molden/test/tinker_charmm.xyz
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share/molden/test/tinker_mm3.xyz
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share/molden/test/uracil.fdat
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share/molden/test/uracil_gauss.out
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share/molden/test/vamp.test
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share/molden/utils/INFO
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share/molden/utils/ch_backspace
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share/molden/utils/ch_mxcon
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share/molden/utils/ch_par
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share/molden/utils/colors
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share/molden/utils/ircextract.awk
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share/molden/utils/molden
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share/molden/utils/multi_vrml.csh
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share/molden/utils/multi_vrml_orbitals.csh
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@dirrm share/molden/utils
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@dirrm share/molden/test
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@dirrm share/molden/doc
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@dirrm share/molden
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5
misc/molden/distinfo
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misc/molden/distinfo
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$NetBSD: distinfo,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
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SHA1 (molden3.7.tar.Z) = e459d53ccb171527a33b335b608362a4fab6131e
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Size (molden3.7.tar.Z) = 3099483 bytes
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SHA1 (patch-aa) = 62168b37335cc74737c2d967234c0e846ab7bfa3
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25
misc/molden/patches/patch-aa
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misc/molden/patches/patch-aa
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$NetBSD: patch-aa,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
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--- makefile.orig Thu Apr 19 20:09:28 2001
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+++ makefile Sat Jun 1 01:14:46 2002
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@@ -13,12 +13,16 @@
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# Disregard compiler warnings on rdmolf.f
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#
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CC = cc
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-LIBS = -lX11 -lm
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+LIBS = -L${X11BASE}/lib -R${X11BASE}/lib -lX11 -lm
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+CFLAGS = -c -I${X11BASE}/include -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
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+FC = g77
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+FFLAGS =
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+LDR = g77
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# Silicon Graphics
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-CFLAGS = -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
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-FFLAGS =
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-LDR = f77
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+#CFLAGS = -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
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+#FFLAGS =
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+#LDR = f77
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# Ultrix, Dec Alpha, Linux ( and best start for Unix other than below )
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#
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