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salo f2d6b2ebe2 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.
2003-03-22 05:51:26 +00:00
..
9menu Use auto-extract code for .shar files. 2002-01-27 18:32:32 +00:00
ascii Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
asr-manpages Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
astrolog Use the default EXTRACT_CMD instead of a hand-crafted one, as the default 2002-02-25 04:47:21 +00:00
bbappconf Upgrade to 0.0.2: 2002-12-18 04:34:42 +00:00
bbweather Regen distinfo: version number was not bumped in last distfile. 2003-01-13 15:10:32 +00:00
bidwatcher fix some format string bugs on 64 bit systems. 2002-12-30 02:09:25 +00:00
blackbook mkdir share/icons unneeded -- will be created by tar/pax. 2002-12-03 09:44:12 +00:00
bottlerocket Remove (partly obsolete) homepage URLs from DESCR. 2002-08-15 09:39:18 +00:00
buffer Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
chipmunk buildlink1 -> buildlink2. 2002-10-25 18:40:53 +00:00
chord Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
cksfv update cksfv to 1.3: 2002-01-31 22:17:41 +00:00
colorize Complete standardization of messages according to latest pkglint. 2002-09-24 12:29:55 +00:00
colorls Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
colortail Add an old man-page that I had sitting around. 2002-12-13 23:01:41 +00:00
cowsay Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
cstream Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
cuecat Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
dgpsip Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
dialog buildlink1 -> buildlink2 2002-09-21 00:59:26 +00:00
dnetc Add support for more platforms. Patch supplied by OGATA (ogata 2002-06-18 16:20:21 +00:00
dotfile s/root/${ROOT_USER}/g, now that the definition appears in the 2001-12-05 15:00:44 +00:00
dsbr100 Only build on earlier versions of NetBSD with USB support. -current and 2002-06-06 06:59:31 +00:00
dt use ONLY_FOR_PLATFORM instead of defining PKG_SKIP_REASON. shoud fix the 2003-02-03 15:26:27 +00:00
dync Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
elizatalk Initial import of elizatalk-0.4. 2003-03-01 13:02:09 +00:00
fd fix MAINTAINER= Name <email> to only include email address. 2002-11-10 00:35:07 +00:00
fep Fix MASTER_SITE path. 2003-03-22 04:12:39 +00:00
figlet shorten COMMENT 2002-12-12 14:34:49 +00:00
fooseti Initial import of fooseti, version 0.6.6. 2002-12-28 15:37:37 +00:00
git Introduce new framework for handling info files generation and installation. 2002-02-18 15:14:00 +00:00
gkrellm-moon Give all packages which depend on "png" a version bump, and update 2002-03-13 17:36:35 +00:00
gkrellm-weather Give all packages which depend on "png" a version bump, and update 2002-03-13 17:36:35 +00:00
gnome-dirs Use bsd.pkg.install.mk to register directories instead of a dynamic PLIST. 2003-02-05 16:55:24 +00:00
gnome-pim Provide dummy definitions for unresolved symbols to make the calendar 2003-01-14 05:19:24 +00:00
gnome-utils Use the omf.mk file provided by the scrollkeeper package to automatically 2003-02-18 14:55:54 +00:00
gnome1-dirs Use bsd.pkg.install.mk to register directories instead of a dynamic PLIST. 2003-02-05 16:55:24 +00:00
gnome2-dirs Added the share/gnome/wm-properties directory. 2003-02-14 10:30:09 +00:00
gone Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
gperiodic USE_PKGLOCALEDIR, remove unnecessary patch, delint. 2002-12-01 16:25:56 +00:00
gpsd A GPS daemon - relays information from GPS to (possibly multiple) 2003-01-05 16:52:45 +00:00
gpsdrive ${PREFIX}/gpsdrive/locale/locale.alias seems to be a fantasy... not sure 2003-01-10 15:53:02 +00:00
granulate Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
heyu - use time_t for the time functions (needed on alpha) 2002-08-12 12:06:35 +00:00
hitchhiker Replace "true" by "${TRUE}". 2002-12-09 16:01:10 +00:00
ibutton-pdkit Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
iselect buildlink1 -> buildlink2. 2002-10-25 17:51:44 +00:00
ja-less Reimport of package ja-less from japanese/less into misc/ja-less. 2002-05-31 13:00:24 +00:00
ja-man Complete standardization of messages according to latest pkglint. 2002-09-24 12:29:55 +00:00
jhd Reimport of package jhd from japanese/jhd into misc/jhd. 2002-05-31 13:00:37 +00:00
jitterbug Complete standardization of messages according to latest pkglint. 2002-09-24 12:29:55 +00:00
jive Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
kanjipad buildlink1 -> buildlink2. 2002-10-13 11:35:15 +00:00
kdeaddons2 Try to remove ${PREFIX}/share/kde/apps/knewsticker. It might also have 2002-09-20 08:23:37 +00:00
kdeaddons3 Update KDE to 3.1. 2003-03-11 13:22:19 +00:00
kdeadmin2 Correct COMMENT 2003-01-22 19:36:00 +00:00
kdeadmin3 Update KDE to 3.1. 2003-03-11 13:22:19 +00:00
kdeartwork2 buildlink1 -> buildlink2. 2002-09-20 02:51:57 +00:00
kdeartwork3 Update KDE to 3.1. 2003-03-11 13:22:19 +00:00
kdeedu3 Update KDE to 3.1. 2003-03-11 13:22:19 +00:00
kdepim2 Mark this package as broken (kpilot compilation problems). 2003-02-13 14:40:17 +00:00
kdepim3 Update KDE to 3.1. 2003-03-11 13:22:19 +00:00
kdeutils (1) Publicly export the value of _OPSYS_RPATH_NAME as RPATH_FLAG; 2003-03-14 19:37:30 +00:00
kdeutils2 kdeutils install an efax program conflicting with comms/efax. 2003-02-18 00:35:50 +00:00
kdeutils3 Update KDE to 3.1. 2003-03-11 13:22:19 +00:00
kdrill s/IMAKE_MAN_PATH/IMAKE_MAN_DIR/ 2003-03-04 04:15:23 +00:00
koffice Add some missing entries, clean up. 2003-03-11 13:50:09 +00:00
koffice11 Prototype buildlink2.mk's created automagically by createbuildlink(8). 2003-01-09 11:21:40 +00:00
kp Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
kstars Disable pedantic DTD check when building the documentation (since this 2003-01-19 00:29:20 +00:00
ktail buildlink1 -> buildlink2 2002-09-20 11:48:18 +00:00
less Honor PKG_SYSCONFDIR. Bump PKGREVISION to 1. 2003-03-14 09:56:30 +00:00
libdvdcss Update to 1.2.6nb1: include a patch from Christopher Richards, sent in 2003-03-21 23:25:00 +00:00
libdvdread Update to 0.9.4. Changes: 2003-02-26 10:12:34 +00:00
libutf Instead of including bsd.pkg.install.mk directly in a package Makefile, 2003-01-28 22:03:00 +00:00
lile Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
linuxls Complete standardization of messages according to latest pkglint. 2002-09-24 12:29:55 +00:00
loco Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
logsurfer Update "logsurfer" to version 1.5.2 (1.5b). Changes since version 1.5: 2002-10-05 06:11:30 +00:00
lookup Fix depends on apel, and add an empty line for pkglint. 2002-11-14 03:46:43 +00:00
lv Disable this package on NetBSD/sparc64. 2002-02-22 02:20:46 +00:00
mmv Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
molden Update to version 3.8. 2003-03-22 05:51:26 +00:00
most Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
mtail Strip the ".buildlink" from the names of the python application and 2002-09-21 23:46:45 +00:00
nxtvepg Fix a little bug which slipped in while porting it to FreeBSD. 2003-01-05 22:44:42 +00:00
ooqstart Bump PKGREVISION because of dependency on latest freetype2 or glib2 2002-12-24 06:09:44 +00:00
openoffice (1) Publicly export the value of _OPSYS_RPATH_NAME as RPATH_FLAG; 2003-03-14 19:37:30 +00:00
openoffice-linux Use ${PATCH} with ${PATCH_ARGS}, so that the install procedure doesn't 2003-02-27 23:26:11 +00:00
p5-Array-PrintCols Convert to buildlink2. Use perl5/module.mk. 2002-10-07 22:34:23 +00:00
p5-Business-CreditCard Convert to buildlink2. Use perl5/module.mk. 2002-10-07 22:34:23 +00:00
p5-Business-ISBN Convert to buildlink2. Use perl5/module.mk. 2002-10-07 22:34:23 +00:00
p5-Business-UPS Use buildlink2. Use perl5/module.mk. 2002-10-27 20:48:55 +00:00
p5-ControlX10-CM11 Fix wildcard to match current version. 2003-02-12 18:28:51 +00:00
p5-ControlX10-CM17 Fix wildcard to match current version. 2003-02-12 18:28:51 +00:00
p5-File-MMagic Use buildlink2. Use perl5/module.mk. 2002-10-07 22:21:56 +00:00
p5-Locale-Codes Convert to buildlink2. Use perl5/module.mk. 2002-10-07 22:34:23 +00:00
p5-Mac-Macbinary Initial import of Mac::Macbinary 0.04 into the NetBSD packages 2002-12-13 17:27:26 +00:00
p5-Msgcat perl5 module providing access to the message catalog functions. 2003-01-13 12:56:50 +00:00
p5-Search Convert to buildlink2. Use perl5/module.mk. 2002-10-06 22:31:03 +00:00
parchive Use __progname, to get the name of the command right for the help message. 2002-01-04 21:40:58 +00:00
pdmenu buildlink1 -> buildlink2. 2002-10-09 13:52:28 +00:00
php4-calendar - make this work with apache2 2002-11-05 07:33:13 +00:00
php4-mbstring Add some patch from PHP's cvs repositry (PHP_4_2_0 branch). 2002-11-30 15:13:24 +00:00
pinfo USE_PKGLOCALEDIR, remove unnecessary patch, delint. 2002-12-01 16:25:56 +00:00
proj Whitespace fix 2002-12-23 16:21:20 +00:00
pty-redir Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
qterm Instead of including bsd.pkg.install.mk directly in a package Makefile, 2003-01-28 22:03:00 +00:00
reed Update to 5.4. Changes: 2002-11-09 13:37:19 +00:00
root Set USE_X11. 2003-01-04 22:34:59 +00:00
root-tail s/IMAKE_MAN_PATH/IMAKE_MAN_DIR/ 2003-03-04 04:15:23 +00:00
rpm Instead of including bsd.pkg.install.mk directly in a package Makefile, 2003-01-28 22:03:00 +00:00
sch Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
sci Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
screen Update to screen 3.9.15. Changes: 2003-03-15 16:16:37 +00:00
setiathome Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
siag Update to 3.5.7. Note conflict with antiword, which is included. 2003-03-05 14:30:59 +00:00
splitvt Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
staroffice Complete standardization of messages according to latest pkglint. 2002-09-24 12:29:55 +00:00
tds Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
team Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
ttyrec Add RCS Id. 2002-07-02 12:56:53 +00:00
vera Added INFO_FILES so install-info is run. 2002-02-20 18:06:08 +00:00
vfu Note in USE_NCURSES variable which functions actually are missing for this 2003-01-24 13:36:17 +00:00
visual-regexp Change my email address to the NetBSD one (hispabsd.org -> netbsd.org). 2003-01-03 15:26:54 +00:00
vttest update to rev 20020422 (the old one doesn't exist anymore on the server) 2002-06-06 14:49:52 +00:00
watch Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
xjdic Update dictionary files to latest version. 2003-02-14 17:34:22 +00:00
xrolodex s/IMAKE_MAN_PATH/IMAKE_MAN_DIR/ 2003-03-04 04:15:23 +00:00
xtail Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
xtend Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
xtide Convert to buildlink2. 2002-10-21 12:40:53 +00:00
yrolo Use new IMAKE_MAN_PATH variables in PLISTs to make these packages more 2003-03-02 20:18:50 +00:00
zorro Move pkg/ files into package's toplevel directory 2001-11-01 00:57:41 +00:00
Makefile Add and enable elizatalk 2003-03-01 13:04:00 +00:00