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.

6 files changed, 158 insertions, 0 deletions

diff --git a/misc/molden/DESCR b/misc/molden/DESCR
new file mode 100644
index 00000000000..5215adcc465
--- /dev/null
+++ b/misc/molden/DESCR
@@ -0,0 +1,22 @@
+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)
+
+/***************************************************************************
+ Copyright (C) 1991  Gijs Schaftenaar
+
+ Permission to use, copy this software and its documentation
+ for private use is hereby granted to non profit organisations.
+
+ This software is provided "as is" without express or implied warranty.
+
+ Please cite the author in any work based on this material.
+
+ ***************************************************************************
diff --git a/misc/molden/MESSAGE b/misc/molden/MESSAGE
new file mode 100644
index 00000000000..4e61a8fbff9
--- /dev/null
+++ b/misc/molden/MESSAGE
@@ -0,0 +1,7 @@
+======================================================================
+$NetBSD: MESSAGE,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
+
+Please register at the below as a Molden User.
+
+http://www.cmbi.kun.nl/~schaft/molden/form.html
+======================================================================
diff --git a/misc/molden/Makefile b/misc/molden/Makefile
new file mode 100644
index 00000000000..d87f4bf427f
--- /dev/null
+++ b/misc/molden/Makefile
@@ -0,0 +1,45 @@
+# $NetBSD: Makefile,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
+
+DISTNAME=	molden3.7
+PKGNAME=	molden-3.7
+CATEGORIES=	misc # chemistry
+MASTER_SITES=	ftp://ftp.cmbi.kun.nl/pub/molgraph/molden/
+EXTRACT_SUFX=	.tar.Z
+
+MAINTAINER=	oishi@ims.ac.jp
+HOMEPAGE=	http://www.cmbi.kun.nl/~schaft/molden/molden.html
+COMMENT=	displaying MOLecular DENsity
+
+MAKEFILE=	makefile
+ALL_TARGET=	molden
+
+USE_FORTRAN=	# defined
+
+LICENSE=	molden-license
+RESTRICTED=	"Redistributing Molden by unregistered user is prohibited."
+NO_SRC_ON_CDROM=        ${RESTRICTED}
+NO_BIN_ON_CDROM=        ${RESTRICTED}
+NO_SRC_ON_FTP=          ${RESTRICTED}
+NO_BIN_ON_FTP=          ${RESTRICTED}
+
+_FETCH_MESSAGE=	\
+	${ECHO} "======================================================================"; \
+	${ECHO} " Please read the WWW page below to know how to get a copy of Molden."; \
+	${ECHO} ; \
+	${ECHO} "     http://www.cmbi.kun.nl/~schaft/molden/howtoget.html"; \
+	${ECHO} ; \
+	${ECHO} " Then put the file ${DISTNAME}${EXTRACT_SUFX} into ${DISTDIR}."; \
+	${ECHO} "======================================================================"
+
+do-install:
+	${INSTALL_PROGRAM} ${WRKSRC}/molden ${PREFIX}/bin/
+	for d in doc test utils ; do \
+		${INSTALL_DATA_DIR} ${PREFIX}/share/molden/$$d ; \
+		for f in ${WRKSRC}/$$d/* ; do \
+			${INSTALL_DATA} $$f ${PREFIX}/share/molden/$$d ; \
+		done ; \
+	done
+
+.include "../../graphics/Mesa/buildlink.mk"
+.include "../../mk/x11.buildlink.mk"
+.include "../../mk/bsd.pkg.mk"
diff --git a/misc/molden/PLIST b/misc/molden/PLIST
new file mode 100644
index 00000000000..4d10a1d55a5
--- /dev/null
+++ b/misc/molden/PLIST
@@ -0,0 +1,54 @@
+@comment $NetBSD: PLIST,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
+bin/molden
+share/molden/doc/figures.ps.Z
+share/molden/doc/manual.ps.Z
+share/molden/doc/manual.txt.Z
+share/molden/test/adf.molf
+share/molden/test/ampac.arc
+share/molden/test/ampac.test
+share/molden/test/bucky.xyz
+share/molden/test/chemx.test
+share/molden/test/complex2.out
+share/molden/test/esp.test
+share/molden/test/esp.txt
+share/molden/test/esp.xyz
+share/molden/test/fragment
+share/molden/test/gamess_uk.freq
+share/molden/test/gamess_uk.input
+share/molden/test/gamess_uk.test1
+share/molden/test/gamess_uk.test2
+share/molden/test/gamess_us.h2o_631g_opt.out
+share/molden/test/gamess_us.irc
+share/molden/test/gamess_us_uhf_opt
+share/molden/test/gaussian.freq
+share/molden/test/gaussian.input
+share/molden/test/gaussian.test
+share/molden/test/jaguar.cube
+share/molden/test/molden.ogl
+share/molden/test/mopac.freq
+share/molden/test/mopac.test
+share/molden/test/pdb.test
+share/molden/test/reacpth.xyz
+share/molden/test/shelx.ins
+share/molden/test/surface.molf
+share/molden/test/test.fdat
+share/molden/test/test.mol2
+share/molden/test/test_homo.cube
+share/molden/test/tinker_charmm.xyz
+share/molden/test/tinker_mm3.xyz
+share/molden/test/uracil.fdat
+share/molden/test/uracil_gauss.out
+share/molden/test/vamp.test
+share/molden/utils/INFO
+share/molden/utils/ch_backspace
+share/molden/utils/ch_mxcon
+share/molden/utils/ch_par
+share/molden/utils/colors
+share/molden/utils/ircextract.awk
+share/molden/utils/molden
+share/molden/utils/multi_vrml.csh
+share/molden/utils/multi_vrml_orbitals.csh
+@dirrm share/molden/utils
+@dirrm share/molden/test
+@dirrm share/molden/doc
+@dirrm share/molden
diff --git a/misc/molden/distinfo b/misc/molden/distinfo
new file mode 100644
index 00000000000..69668949436
--- /dev/null
+++ b/misc/molden/distinfo
@@ -0,0 +1,5 @@
+$NetBSD: distinfo,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
+
+SHA1 (molden3.7.tar.Z) = e459d53ccb171527a33b335b608362a4fab6131e
+Size (molden3.7.tar.Z) = 3099483 bytes
+SHA1 (patch-aa) = 62168b37335cc74737c2d967234c0e846ab7bfa3
diff --git a/misc/molden/patches/patch-aa b/misc/molden/patches/patch-aa
new file mode 100644
index 00000000000..7ed43ba8fba
--- /dev/null
+++ b/misc/molden/patches/patch-aa
@@ -0,0 +1,25 @@
+$NetBSD: patch-aa,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
+
+--- makefile.orig	Thu Apr 19 20:09:28 2001
++++ makefile	Sat Jun  1 01:14:46 2002
+@@ -13,12 +13,16 @@
+ #	Disregard compiler warnings on rdmolf.f
+ #
+ CC = cc
+-LIBS =  -lX11 -lm
++LIBS =  -L${X11BASE}/lib -R${X11BASE}/lib -lX11 -lm
++CFLAGS = -c -I${X11BASE}/include -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
++FC = g77
++FFLAGS =
++LDR = g77   
+ 
+ # Silicon Graphics
+-CFLAGS = -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
+-FFLAGS =   
+-LDR = f77 
++#CFLAGS = -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
++#FFLAGS =   
++#LDR = f77 
+ 
+ # Ultrix, Dec Alpha, Linux ( and best start for Unix other than below )
+ #