debian/0000755000000000000000000000000011664506513007175 5ustar debian/watch0000644000000000000000000000016510676170347010234 0ustar # See uscan(1) for format version=3 http://bioinformatics.org/ghemical/download/current/ghemical-([\d\.]+)\.tar\.gz debian/ghemical.desktop0000644000000000000000000000057310755256753012356 0ustar [Desktop Entry] Name=ghemical Name[de]=ghemical Name[nl]=ghemical GenericName=Molecular modelling program GenericName[nl]=Modelleerprogramma voor moleculen GenericName[de]=Molecular modelling Programm Comment=Draw models of molecules Comment[nl]=Teken modellen van moleculen Exec=ghemical Icon=ghemical Terminal=false Type=Application Categories=Education;Science;Chemistry;GTK; debian/ghemical.dirs0000644000000000000000000000002711664504044011625 0ustar usr/share/doc/ghemical debian/README.Debian0000644000000000000000000000035311150130315011216 0ustar ghemical for Debian ------------------- As ghemical uses OpenGL, you probably have to uncomment the line # Load "glx" in your /etc/X11/xorg.conf. -- The debichem team , 03 Oct 2008 debian/ghemical.manpages0000644000000000000000000000002211664504044012452 0ustar debian/ghemical.1 debian/rules0000755000000000000000000000137311664506466010270 0ustar #!/usr/bin/make -f # Sample debian/rules that uses debhelper. # GNU copyright 1997 to 1999 by Joey Hess. #export DH_VERBOSE=1 VERSION := $(shell dpkg-parsechangelog | sed -n -e 's/^Version: \(.*\)-[^-]*$$/\1/p' ) LDFLAGS ?= LDFLAGS += -Wl,--as-needed %: dh $@ --parallel override_dh_auto_configure: dh_auto_configure -- --enable-threads --enable-openbabel override_dh_auto_install: dh_auto_install chrpath -d $(CURDIR)/debian/ghemical/usr/bin/ghemical mv $(CURDIR)/debian/ghemical/usr/share/ghemical/${VERSION}/examples \ $(CURDIR)/debian/ghemical/usr/share/doc/ghemical $(RM) $(CURDIR)/debian/ghemical/usr/share/ghemical/${VERSION}/GNULICENSE.txt override_dh_link: dh_link /usr/share/ghemical/$(VERSION)/user-docs /usr/share/doc/ghemical/html debian/copyright0000644000000000000000000000321211150130740011107 0ustar This package was debianized by Michael Banck on Sat, 24 Nov 2001 08:53:28 +0100. It was downloaded from: http://bioinformatics.org/ghemical/download/ http://www.uku.fi/~thassine/projects/download/ Authors: Tommi Hassinen , Jarno Huuskonen, Ville Heikkilä, Tuomas Venäläinen, Geoff Hutchison and Mike Cruz See the file /usr/share/doc/ghemical/AUTHORS for a complete list. Copyright: Copyright (C) 1998 Jarno Huuskonen. Copyright (C) 1998-2008 Tommi Hassinen. Copyright (C) 2000 Mike Cruz. Copyright (C) 2000 Geoffrey Hutchison. Copyright (C) 2001-2008 Christopher Rowley. Copyright (C) 2008 Naosumi Yasufuku. Some copyright also goes to Michael Banck and Jean Brefort regarding the build system. License: This package is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This package is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this package; if not, write to the Free Software Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301, USA. On Debian GNU/Linux systems, the complete text of the GNU General Public License can be found in `/usr/share/common-licenses/GPL'. debian/source/0000755000000000000000000000000011664506513010475 5ustar debian/source/format0000644000000000000000000000001411664506145011704 0ustar 3.0 (quilt) debian/ghemical.install0000644000000000000000000000005711341062464012332 0ustar debian/ghemical.desktop usr/share/applications debian/compat0000644000000000000000000000000211341062464010365 0ustar 7 debian/control0000644000000000000000000000315311664506466010611 0ustar Source: ghemical Section: gnome Priority: optional Maintainer: Debichem Team Uploaders: Michael Banck , Daniel Leidert (dale) Build-Depends: debhelper (>= 7.0.50~), chrpath, flex, gfortran, intltool (>= 0.40.0), pkg-config, libblas-dev, libglade2-dev (>> 2.4.0), libgtk2.0-dev (>> 2.6.0), libgtkglext1-dev (>> 1.0.5), libghemical-dev (>> 3.0.0), liblapack-dev, libmopac7-dev (>> 1.14), liboglappth-dev (>> 1.0.0), libopenbabel-dev (>> 2.1.1), libsc-dev (>= 2.3.1-2) Standards-Version: 3.9.2 Homepage: http://bioinformatics.org/ghemical/ghemical/ Vcs-Browser: http://svn.debian.org/wsvn/debichem/unstable/ghemical/ Vcs-Svn: svn://svn.debian.org/svn/debichem/unstable/ghemical/ DM-Upload-Allowed: yes Package: ghemical Architecture: any Depends: ${shlibs:Depends}, ${misc:Depends}, mpqc Description: GNOME molecular modelling environment Ghemical is a computational chemistry software package written in C++. It has a graphical user interface and it supports both quantum- mechanics (semi-empirical) models and molecular mechanics models. Geometry optimization, molecular dynamics and a large set of visualization tools using OpenGL are currently available. . Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package (Public Domain), and are included in the package. The MPQC package is used to provide ab initio methods: the methods based on Hartree-Fock theory are currently supported with basis sets ranging from STO-3G to 6-31G**. debian/patches/0000755000000000000000000000000011664506513010624 5ustar debian/patches/series0000644000000000000000000000000011664504044012024 0ustar debian/ghemical.docs0000644000000000000000000000001011664504044011604 0ustar AUTHORS debian/ghemical.10000644000000000000000000000175711150130315011021 0ustar .TH "GHEMICAL" "1" "October 03, 2008" .SH NAME ghemical \- framework for molecular modelling .SH SYNOPSIS .B ghemical .RB [ options ] .I files .SH DESCRIPTION .B ghemical is a GNOME-based program for molecular modelling. See the online help manual for further information. .SH OPTIONS Apart from the common GTK+ options, ghemical understands the following options: .TP .BR \-f ", " \-\-file= \fIfilename\fP Open the specified file. .TP .BR \-i ", " \-\-import= \fIfilename\fP Import file as mm1gp project. .TP .BR \-h ", " \-\-help Show summary of options. .TP .BR \-\-help\-all Show a verbose summary of options. .TP .BR \-\-help\-gtk Show only the GTK+ options. .SH SEE ALSO .BR gtk-options (7) .SH AUTHOR This manual page was written by Michael Banck <\&mbanck@gmx.net\&>, for the Debian GNU/Linux system (but may be used by others). .PP .B ghemical was written by Tommi Hassinen <\&thassine@messi.uku.fi\&>, Jarno Huuskonen, Ville Heikkil\[:a], Tuomas Ven\[:a]l\[:a]inen, Geoff Hutchison and Mike Cruz debian/ghemical.menu0000644000000000000000000000017011664504044011627 0ustar ?package(ghemical):needs="X11" section="Applications/Science/Chemistry"\ title="ghemical" command="/usr/bin/ghemical" debian/changelog0000644000000000000000000004126511664506505011060 0ustar ghemical (3.0.0-1) unstable; urgency=low * New upstream release. * debian/control (Build-Depends): Dropped dpatch. Increased libghemical-dev and liboglappth-dev versions. Added chrpath. (Vcs-Browser): Point to real location. (Description): Fixed description-synopsis-starts-with-article. * debian/dirs: Renamed to debian/ghemical.dirs. * debian/docs: Renamed to debian/ghemical.docs. * debian/manpages: Renamed to debian/ghemical.manpages. * debian/menu: Renamed to debian/ghemical.menu. * debian/rules: Removed dpatch stuff. Remove rpath from binary. * debian/README.source: Dropped obsolete file. * debian/source/format: Added for source format 3.0 (quilt). * debian/patches/german_translation.dpatch: Dropped (applied upstream). * debian/patches/00list: Renamed to debian/patches/series and adjusted. -- Daniel Leidert (dale) Sun, 27 Nov 2011 20:19:27 +0100 ghemical (2.99.2-2) unstable; urgency=low [ Daniel Leidert ] * debian/compat: Bumped dh compat level to 7. * debian/control (Build-Depends): Bumped dh version. (Standards-Version): Bumped to 3.8.4. * debian/ghemical.install: Added. Replaces the install hint in debian/rules. * debian/rules: Debhelper 7 rewrite. [ Michael Banck ] * debian/patches/german_translation.dpatch: Added (closes: #639322). - po/de.po: Adds german translation by Chris Leick . - po/LINGUAS: Adjusted. * debian/patches/00list: Adjusted. * debian/control (Standards-Version): Bumped to 3.9.2. -- Michael Banck Mon, 05 Sep 2011 19:02:09 +0200 ghemical (2.99.2-1) unstable; urgency=low * New upstream release. * debian/control (Standards-Version): Bumped to 3.8.3. (Build-Depends): Added intltool. Adjusted libghemical-dev version requirements. (Vcs-Svn): Fixed vcs-field-uses-not-recommended-uri-format. * debian/patches/gcc_43_fixes.dpatch: Dropped (applied upstream). * debian/patches/numeric_locale_C_required.dpatch: Ditto. * debian/patches/00list: Adjusted. -- Daniel Leidert (dale) Wed, 23 Sep 2009 00:00:49 +0200 ghemical (2.98-2) unstable; urgency=low * Rebuild for unstable. * debian/control (Vcs-Svn): Set back to unstable location. * debian/copyright: Fixed license information (it's GPL2+). -- Daniel Leidert (dale) Sun, 22 Feb 2009 03:01:23 +0100 ghemical (2.98-1) experimental; urgency=low * New upstream release 2.98. * debian/control (Build-Depends): Removed glutg3-dev. Increased versions for mopac7, libghemical and liboglappth. (Uploaders): Removed LI Daobing. Thanks for your work! (Standards-Version): Bumped to 3.8.0 (added README.source). (Vcs-Svn): Set to experimental location. (Depends): Added ${misc:Depends}. * debian/copyright: Updated and adjusted. * debian/rules: Minor cleanups. (config.status): Set build-type too. Remove F77. * debian/README.Debian: Updated for Xorg. * debian/README.source: Added to comply with policy. * debian/patches/447628_fix_spin_multiplicity_code.dpatch: Dropped (applied upstream). * debian/patches/numeric_locale_C_required.dpatch: Added. - src/project.cpp (ImportFile, ExportFile): Fix a bug observed exporting a file with a numeric locale != C. * debian/patches/gcc_43_fixes.dpatch: Added. - src/pangofont_wcl.cpp: Add missing headers to fix FTBFS with GCC 4.3. * debian/patches/00list: Adjusted. -- Daniel Leidert (dale) Sat, 31 Jan 2009 17:59:26 +0100 ghemical (2.95-3) unstable; urgency=low * debian/control (Build-Depends): Fixed build-depends-on-1-revision lintian warning. s/refblas3-dev/libblas-dev and s/lapack3-dev/liblapack-dev transition and added gfortran (closes: #463948). Increased mopac7/mpqc and libghemical dependency. (Uploaders): Added myself. (XS-DM-Upload-Allowed): Removed XS- prefix as of dpkg 1.14.16. * debian/copyright: Fixed (obsolete national) encoding and added the missing Copyright field. Thanks to lintian. * debian/dirs: Removed directories we don't need to care about here. * debian/ghemical.1: Small improvements. Added missing options and references. * debian/ghemical.desktop: Updated to comply with fd.o specification. * debian/rules: Added noopt handling by defining CFLAGS/CXXFLAGS. (VERSION): Get the version automatically. (configure-stamp): Dropped in favour of config.status. gfortran transition (see #463948). Reorder variables to make configure remember them. Added CFLAGS/CXXFLAGS. (build): Use DESTDIR instead to "misuse" prefix. (build, binary-arch): Install the .desktop file via dh_install. (binary-arch): Removed useless debhelper script calls. Fixed dangling documentation symlink. (.PHONY): configure is a real file, not a PHONY target. * debian/patches/447628_fix_spin_multiplicity_code.dpatch: Added. - src/gtk_setup_dialog.cpp (gtk_setup_dialog): Set spin multiplicity to a fixed value of 1 (closes: #447628). * debian/patches/00list: Adjusted. -- Daniel Leidert (dale) Mon, 10 Mar 2008 01:01:40 +0100 ghemical (2.95-2) unstable; urgency=low * debian/control (Build-Depends): Bumped libghemical-dev to 2.96-1, libopenbabel-dev to 2.1.1-1 and libmopac7-dev to 1.13-1; closes: #448170, #448433. * debian/control (XS-DM-Upload-Allowed): Added. * debian/control (Standards-Version): Updated to latest version 3.7.3. -- Michael Banck Fri, 11 Jan 2008 23:44:36 +0100 ghemical (2.95-1) unstable; urgency=low * New upstream release. [ Daniel Leidert ] * debian/control: Added Homepage and Vcs-* fields. (Standards-Version): Updated to latest version 3.7.2. * debian/menu (section): Menu section transition. * debian/watch: Added. [ LI Daobing ] * debian/control: - add me as uploaders - build depends on debhelper (>= 5) * debian/rules: lintian doesn't like "-$(MAKE) clean", see bug#325372 * debian/compat: added. * debian/ghemical.1: fix a typo, use \[:a]. * debian/copyright: update FSF address. * debian/ghemical.desktop: add main category. [ Michael Banck ] * debian/control (Maintainer): Set to Debichem Team. -- LI Daobing Tue, 23 Oct 2007 23:47:43 +0800 ghemical (2.10-1) unstable; urgency=low * New upstream release. * debian/patches/12_64bit_build_fix.dpatch: Removed, fixed upstream. * debian/patches/00list: Updated. * debian/control (Build-Depends): Bump libghemical Build-Depends to 2.10-1. * debian/rules (VERSION): Bump to 2.10. -- Michael Banck Tue, 12 Sep 2006 12:53:38 +0200 ghemical (2.01-2) unstable; urgency=low * debian/patches/12_64bit_build_fix.dpatch: Reinstate parts which have not been applied upstream yet; closes: #341798, #378468. * debian/patches/00list: Updated. -- Michael Banck Sun, 16 Jul 2006 20:10:48 +0200 ghemical (2.01-1) unstable; urgency=low * New upstream release. + Fixes gcc-4.1 build error; closes: #367841. * debian/patches/09_Makefile_prefix.dpatch: Removed, applied upstream. * debian/patches/12_64bit_build_fix.dpatch: Likewise. * debian/patches/13_openbabel-2.0.dpatch: Likewise. * debian/patches/90_config_guess_sub: Likewise. * debian/patches/91_aclocal_configure: Likewise. * debian/patches/00list: Updated. * debian/control (Build-Depends): Bump libghemical-dev to (>= 2.00-1). * debian/rules (install): Do not install bin/ghemical.png, it is not in the upstream tarball. * debian/rules (VERSION): Bumped to 2.01. * debian/rules (install): Add ${VERSION} to the path of the examples when moving them over to /usr/share/doc/ghemical/examples. * debian/rules (configure-stamp): Add --enable-openbabel. * debian/patches/11_glut_init.dpatch: Removed, makes ghemical crash on startup. * debian/patches/00list: Updated. -- Michael Banck Fri, 14 Jul 2006 23:49:38 +0200 ghemical (1.91-3) unstable; urgency=low * Sync with Ubuntu. + Fixes compilation on 64bit arches; closes: #341798. * debian/patches/13_openbabel-2.0.dpatch: New file, porting ghemical to OpenBabel-2.0; closes: #358777. * debian/patches/91_aclocal_configure.dpatch: Regenerated. * debian/control (Build-Depends): Change libopenbabel-dev to 2.0.0-1 and libghemical-dev to 1.91-2. * debian/control (Standards-Version): Bumped to 3.6.2. * debian/menu: Quote `needs' and `section' entries. -- Michael Banck Sat, 1 Apr 2006 18:52:15 +0200 ghemical (1.91-2ubuntu2) dapper; urgency=low * debian/patches/12_64bit_build_fix.dpatch: New file. Fixes Malone Bug #36421. -- Jeremie Corbier Fri, 24 Mar 2006 18:17:16 +0100 ghemical (1.91-2ubuntu1) dapper; urgency=low * debian/ghemical.desktop: added Version, Encoding, Name[nl], GenericName[nl], Categories=Science;Chemistry;GTK;, replaced Description with GenericName, Terminal=0 with Terminal=false, absolute icon path with relative icon path. Closes: malone #5643. (thanks to Jeroen van Splunder for the patch) -- Benjamin Montgomery Tue, 10 Jan 2006 13:54:08 -0600 ghemical (1.91-2) unstable; urgency=low * debian/patches/11_glut_init.dpatch: New file. Fixes Malone Bug #5459. * debian/patches/00list (11_glut_init): Added. -- Michael Banck Sat, 10 Dec 2005 10:10:29 +0100 ghemical (1.91-1) unstable; urgency=low * New upstream release. + No longer segfaults when drawing atoms; closes: #338899. + Adds correct number of hydrogens to nitrogen atoms; closes: #273314. * Sync with Ubuntu. * debian/rules (configure-stamp): Removed obsolete --enable-mpqc option. * debian/control (Build-Depends): Add versioned Build-Depends on libghemical-dev 1.91-1, libsc-dev 2.3.0-1 and libopenbabel-dev 1.100.2-4 for the C++ allocator transition. * debian/control (Build-Depends): Added pkg-config. * debian/patches/07_object_protected: Removed, no longer needed. * debian/patches/08_gcc-4.0: Likewise. * debian/patches/10_64bit_glu_fix: Likewise. * debian/patches/91_aclocal_configure: Regenerated. * debian/rules (configure-stamp): Explicitely tell configure where pkg-config is located by adding PKG_CONFIG to its environment. * debian/rules (configure-stamp): Add --enable-threads to configure arguments. -- Michael Banck Wed, 16 Nov 2005 00:56:11 +0100 ghemical (1.90-2ubuntu1) breezy; urgency=low * debian/control: added libmopac7-dev to build-deps to build properly -- Stephan Hermann Sat, 8 Oct 2005 17:58:30 +0200 ghemical (1.90-2) unstable; urgency=low * debian/patches/10_64bit_glu_fix.dpatch: New patch by Mark Hymers; closes: #322750 * debian/patches/00list (10_64bit_glu_fix): Added. -- Michael Banck Thu, 6 Oct 2005 02:01:48 +0200 ghemical (1.90-1) unstable; urgency=low * New upstream release. * debian/control (Build-Depends): Replaced gtkglarea5-dev with libgtkglext1-dev, libgnome-dev with libgtk2.0-dev and libglade-gnome0-dev with libglade2-dev. * debian/patches/08_gcc-4.0.dpatch: Updated with another fix for 1.90 from CVS. * debian/patches/09_Makefile_prefix.dpatch: New patch. * debian/patches/00list (09_Makefile_prefix): Added. * debian/patches/91_aclocal_configure.dpatch: New patch. * debian/patches/00list (91_aclocal_configure): Added. -- Michael Banck Sat, 10 Sep 2005 13:00:03 +0200 ghemical (1.51-1) unstable; urgency=low * New upstream release; closes: #320921. + Rebuilt again libopenbabel0c2; closes: #320922. * debian/patches/00list (06_handle_locale): Dropped, applied upstream. * debian/patches/00list (04_link_openbabel): Likewise. * debian/patches/07_object_protected.dpatch: New file; closes: #268459. * debian/patches/00list (07_object_protected): Added. * debian/patches/08_gcc-4.0.dpatch: New file; closes: #286784. * debian/patches/00list (08_gcc-4.0): Added. * debian/control (Build-Depends): Replaced blas-dev and lapack-dev with refblas3-dev and lapack3-dev; closes: #320440. * debian/control (Build-Depends): Added libghemical-dev. * debian/control (Build-Depends): Removed f2c. * debian/docs: Removed PROJECT and BUGLIST. * debian/rules (dh_installchangelogs): Replaced CHANGES with ChangeLog. * debian/patches/90_config_guess_sub.dpatch: New file; closes: #321745. * debian/patches/00list (90_config_guess_sub): Added. -- Michael Banck Sat, 2 Jul 2005 17:08:38 +0200 ghemical (1.01-2) unstable; urgency=medium * Priority medium to make the sarge freeze. * Rebuilt against current libsc-dev. -- Michael Banck Wed, 18 Aug 2004 02:55:27 +0200 ghemical (1.01-1) unstable; urgency=low * New upstream release. - Rebuilt against current libsc-dev; closes: #238870. * debian/patches/00list (01_rtti_dynamic_cast): Dropped, applied upstream. * debian/control (Build-Depends): Added libopenbabel-dev. * 04_link_openbabel.dpatch: New file, changing: - Makefile.in (SRCDIRS): Removed openbabel. - src/target3/Makefile.in (INCS): Use libopenbabel-dev's includes instead of the ones duplicated in the source tree. - src/common/Makefile.in: Likewise. - src/graphics/Makefile.in: Likewise. - src/common/filetrans.cpp: Change openbabel includes from "foo" to . - src/common/mm1mdl.h: Likewise. - src/graphics/docview.cpp: Update #include "Vector.h" to . (float measure_ang): Updated for openbabel-1.100.1. (float measure_tor): Likewise. - (LIBS): Link to libopenbabel-dev's shared library instead of building libopenbabel.a out of the source tree. * debian/patches/00list (04_link_openbabel): Added. * debian/patches/00list (03_openbabel_LIBS): Dropped. * debian/README.Debian: Updated email address. * 06_unset_LC_NUMERIC.dpatch: New file, changing: - src/target3/t3main.cpp (main): Reset LC_NUMERIC to 'C'. * debian/patches/00list (06_unset_LC_NUMERIC): Added. * debian/control (Description): Removed last paragraph. -- Michael Banck Fri, 19 Mar 2004 16:00:22 +0100 ghemical (1.00-2) unstable; urgency=low * Rebuilt against current (gcc-3.2) libsc-dev; closes: #181599 * Commented out #include in src/target3/t3views.h, see #182251 * Applied patch removing all dynamic casts (but one) which caused segfaults with gcc-3.2. Many thanks to Tommi Hassinen * Moved menu entry from Math to Science section; closes: #185726 * Removed the comment about mpqc from README.Debian, we have support for it since 0.82-3 actually * Moved package from science section to gnome * Adjusted $VERSION variable in debian/rules * Switched to dpatch -- Michael Banck Wed, 7 May 2003 16:31:14 +0200 ghemical (1.00-1) unstable; urgency=low * New upstream release * Build-Depends: on libglade-gnome0-dev now * Changed long description to reflect the inclusion of mpqc -- Michael Banck Tue, 17 Dec 2002 17:37:33 +0100 ghemical (0.82-3) unstable; urgency=low * Applied patch porting ghemical to mpqc-2.x.x. Many thanks to Tommi Hassinen * Build-Depends: on libsc-dev and Depends: on mpqc now * Corrected manual-symlink to /usr/share/gnome/help/ghemical/C; closes: #150690 * Changed Maintainer email address * Removed Emacs-variables from Debian changelog * Bumped Standards-Version to 3.5.6.1 -- Michael Banck Mon, 16 Sep 2002 23:09:19 +0200 ghemical (0.82-1) unstable; urgency=low * New upstream release; closes: #134042 * Removed substvars.local, it did not install on alpha at least. Hopefully nobody will have problems WRT gtkglarea5 this time -- Michael Banck Fri, 22 Feb 2002 23:26:26 +0100 ghemical (0.81-3) unstable; urgency=low * Added versionend Depends: on gtkglarea5 as it is lacking a proper shlibs-file; closes #122977 * Added a GNOME menu-hint * Put the provided icon in /usr/share/pixmaps -- Michael Banck Sun, 9 Dec 2001 12:23:03 +0100 ghemical (0.81-2) unstable; urgency=low * Documented the glx-problem in README.Debian. You have to uncomment 'Load "glx"' in your /etc/X11/XF86Config-4 in order to get ghemical running * Patched src/target3/t3views.cpp to bomb out (with a slightly more informative message) if glx is not present * Made configure.in look for -lf2c if it does not find -lg2c. If both are not present, bomb out -- Michael Banck Thu, 6 Dec 2001 23:16:46 +0100 ghemical (0.81-1) unstable; urgency=low * Initial Release; closes: #121296 * No mpqc-support yet, ghemical needs to be ported to mpqc-2.0.0 -- Michael Banck Sat, 24 Nov 2001 08:54:38 +0100