Update to version 3.8.

Addresses PR pkg/20819 by Robert Elz.

Changes:

- Added the ability to write MDL mol files.
- Added the ability to calculate EEM charges,
  a sort of gasteiger charges, by Patrick Bultinck
- The reading of PDB files now handles additional
  Hydrogen labels

The oniom stuff had a bug for the linux version, fixed.

Added an update to the ONIOM window.

- Complete update of the Gamess-UK dedicated code by
  Huub v. Dam:

  - Reading of SCF-convergence for CASSCF and DFT
  - Reading of CASSCF orbital occupancies
  - Support for HESSIAN jobs added
  - and more ...

- Added support for the CPMD program
  Distributed with the permission of TEODORO LAINO
  NEST Laboratories - INFM - Scuola Normale Superiore
  Some work still needs to be done.

- Added makefile entry for Mac OSX, thanks to Eric Brown.

- Molden3.8 has support for tinker3.9, older versions of
  tinker are not supported (Molden3.7 support tinker3.6)
  (Thanks to Nicolas Ferre)

- Nicolas Ferre added support for ONIOM calculations with
  gaussian98.

- In submit gaussian window you can specify
  you want to write cartesian coordinates instead of z-matrix.

- You can now run amber from gaussian, in the following way
  Read in a pdb file, click the z-matrix button and create
  a z-matrix, assign tinker amber atom types (the FF button)
  Go to submit job option gaussian, choose method "amber"
  "Write XYZ" form the "Gaussian Job" window.
  In principle this can be combined with the oniom method
  but this is not tested yet.

- When introducing Mopac2000 support a bug was introduced
  which interfered with the reading of tinker xyz files, fixed.

3 files changed, 11 insertions, 11 deletions

diff --git a/misc/molden/MESSAGE b/misc/molden/MESSAGE
index 1bf09178812..395e5d307e3 100644
--- a/misc/molden/MESSAGE
+++ b/misc/molden/MESSAGE
@@ -1,7 +1,7 @@
 ===========================================================================
-$NetBSD: MESSAGE,v 1.2 2002/09/24 12:30:20 wiz Exp $
+$NetBSD: MESSAGE,v 1.3 2003/03/22 05:51:26 salo Exp $
 
-Please register at the below as a Molden User.
+Please register at the URL below as a Molden User.
 
 http://www.cmbi.kun.nl/~schaft/molden/form.html
 ===========================================================================
diff --git a/misc/molden/Makefile b/misc/molden/Makefile
index 7e8d2d4d149..63d18e87283 100644
--- a/misc/molden/Makefile
+++ b/misc/molden/Makefile
@@ -1,7 +1,7 @@
-# $NetBSD: Makefile,v 1.3 2002/09/24 10:06:49 jlam Exp $
+# $NetBSD: Makefile,v 1.4 2003/03/22 05:51:26 salo Exp $
 
-DISTNAME=	molden3.7
-PKGNAME=	molden-3.7
+DISTNAME=	molden3.8
+PKGNAME=	${DISTNAME:S/molden/&-/}
 CATEGORIES=	misc # chemistry
 MASTER_SITES=	ftp://ftp.cmbi.kun.nl/pub/molgraph/molden/
 EXTRACT_SUFX=	.tar.Z
@@ -38,9 +38,9 @@ _FETCH_MESSAGE=	\
 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 ; \
+		${INSTALL_DATA_DIR} ${PREFIX}/share/molden/$${d} ; \
+		for f in ${WRKSRC}/$${d}/* ; do \
+			${INSTALL_DATA} $${f} ${PREFIX}/share/molden/$${d} ; \
 		done ; \
 	done
 
diff --git a/misc/molden/distinfo b/misc/molden/distinfo
index 69668949436..805aa7bae31 100644
--- a/misc/molden/distinfo
+++ b/misc/molden/distinfo
@@ -1,5 +1,5 @@
-$NetBSD: distinfo,v 1.1.1.1 2002/05/31 19:15:48 kei Exp $
+$NetBSD: distinfo,v 1.2 2003/03/22 05:51:26 salo Exp $
 
-SHA1 (molden3.7.tar.Z) = e459d53ccb171527a33b335b608362a4fab6131e
-Size (molden3.7.tar.Z) = 3099483 bytes
+SHA1 (molden3.8.tar.Z) = 190e40b85934d9bb8194a3ba749f599095fe6b9e
+Size (molden3.8.tar.Z) = 3178286 bytes
 SHA1 (patch-aa) = 62168b37335cc74737c2d967234c0e846ab7bfa3