debian/0000775000000000000000000000000012255455737007207 5ustar debian/libghemical-dev.install0000664000000000000000000000007511150105013013561 0ustar usr/include usr/lib/lib*.a usr/lib/lib*.so usr/lib/pkgconfig debian/source/0000775000000000000000000000000011664752245010504 5ustar debian/source/format0000664000000000000000000000001411664471531011706 0ustar 3.0 (quilt) debian/copyright0000664000000000000000000000303211150107606011116 0ustar This package was debianized by Michael Banck on Tue, 19 Jul 2005 22:08:15 +0200. It was downloaded from: http://bioinformatics.org/ghemical/download/ http://www.uku.fi/~thassine/projects/download/ Authors: Tommi Hassinen and others. See the file /usr/share/doc/libghemical*/AUTHORS for a complete list. Copyright: Copyright (C) 1998-2008 Tommi Hassinen. Copyright (C) 1998 Geoff Hutchison. Copyright (C) 2000- Geoff Hutchison, Michael Banck, Jean Brefort. Copyright (C) 2004 Juha Jungman. Copyright (C) 2006 Donald Curtis. 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/changelog0000664000000000000000000002125512255454757011067 0ustar libghemical (3.0.0-2ubuntu1) trusty; urgency=medium * Apply autoreconf for better port coverage. -- Dimitri John Ledkov Sun, 22 Dec 2013 03:18:07 +0000 libghemical (3.0.0-2build1) trusty; urgency=medium * No change rebuild against libopenmpi1.6. -- Dimitri John Ledkov Sun, 22 Dec 2013 02:37:55 +0000 libghemical (3.0.0-2) unstable; urgency=low * debian/libghemical5.symbols: Removed again. Because there is only one package depending on this library, the work necessary to maintain per-arch symbols files is not worth it. This will fix the FTBFS on many architectures. -- Daniel Leidert (dale) Mon, 28 Nov 2011 19:36:11 +0100 libghemical (3.0.0-1) unstable; urgency=low * New upstream release. * debian/control (Build-Depends): Dropped dpatch. Added autotools version. (Vcs-Browser): Point to the real location. * debian/libghemical5.symbols: Added symbols. * debian/rules: Dropped dpatch stuff. * debian/README.source: Dropped obsolete file. * debian/source/format: Added for source format 3.0 (quilt). * debian/patches/04_german_translation.dpatch: Dropped (applied upstream). * debian/patches/00list: Renamed to debian/patches/series and adjusted. -- Daniel Leidert (dale) Sun, 27 Nov 2011 18:38:41 +0100 libghemical (2.99.1-2) unstable; urgency=low [ Daniel Leidert (dale) ] * NOT RELEASED YET * debian/compat: Bumped to dh compat level 7. * debian/control (Build-Depends): Bumped dh version and dropped cdbs. (Standards-Version): Bumped to 3.8.4. * debian/rules: Dh 7 rewrite. Dropped cdbs. * debian/README.source: Dropped cdbs hint. [ Michael Banck ] * debian/patches/04_german_translation.dpatch: Added (closes: #637012). - 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 18:48:02 +0200 libghemical (2.99.1-1) unstable; urgency=low * New upstream release. * debian/control: Transition from libghemical4 to libghemical5. (Standards-Version): Bumped to 3.8.3. (Build-Depends): Added intltool. (Vcs-Svn): Fixed vcs-field-uses-not-recommended-uri-format. * debian/libghemical4.install: Renamed to debian/libghemical5.install. * debian/libghemical-data.install: Added locale files. * debian/rules: Added rule to list missing files. Replaces --list-missing in DEB_DH_INSTALL_ARGS. * debian/patches/01_gcc43.dpatch: Dropped (applied upstream). * debian/patches/configure_libmopac_flags.dpatch: Ditto. * debian/patches/00list: Adjusted. -- Daniel Leidert (dale) Tue, 22 Sep 2009 02:30:55 +0200 libghemical (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 00:35:20 +0100 libghemical (2.98-1) experimental; urgency=low * New upstream release 2.98. * debian/control: libghemical3gf to libghemical4 transition. (Build-Depends): Added mesa-common-dev. Increased mopac7 version to 1.14. (Uploaders): Removed LI Daobing. Thanks for your work! (Standards-Version): Bumped to 3.8.0. (Vcs-Svn): Set to experimental location. (Description): Small wording improvement. (Depends): Added missing libmopac7-dev for libghemical-dev. Added ${misc:Depends}. (Section): Fixed binary-control-field-duplicates-source. * debian/copyright: Updated and adjusted. * debian/libghemical3gf.install: Renamed to debian/libghemical4.install. * debian/libghemical-dev.install: Dropped libtool .la file. * debian/rules (DEB_DH_INSTALL_ARGS): List missing files. * debian/README.source: Added to be compliant to the policy. * debian/patches/01_gcc43.dpatch: Adjusted. - sasaeval.h, sasaeval.cpp: Fix new issues with GCC 4.3. * debian/patches/configure_libmopac_flags.dpatch: Added. - configure: Check for libmopac7 CFLAGS/LIBS instead for libglade-2.0. * debian/patches/00list: Adjusted. -- Daniel Leidert (dale) Sat, 31 Jan 2009 16:53:44 +0100 libghemical (2.96-2) unstable; urgency=low [ LI Daobing ] * bump compat level to 5: - debian/compat: updated. - debian/control: depends on debhelper (>= 5) * use dpatch: - debian/rules: updated. - debian/control: build depends on dpatch. * FTBFS with GCC 4.3: missing #includes (Closes: #417336, #462696) - debian/patches/01_gcc43.dpatch: added. - debian/patches/00list: added. * bump standards version to 3.7.3: - debian/control: updated. * set source's section to science: - debian/control: updated. [ Daniel Leidert ] * debian/control: Added DM-Upload-Allowed for DM status. (Build-Depends): Fixed build-depends-on-1-revision lintian warning. s/refblas3-dev/libblas-dev and s/lapack3-dev/liblapack-dev transition, added gfortran and increased mopac7/mpqc dependency (closes: #465716). (Uploaders): Added myself. (Package, Depends, Conflicts, Replaces): libghemical3gf (gfortran) transition. * debian/copyright: Added copyright information (thanks to lintian). * debian/libghemical3.install: Renamed to debian/libghemical3gf.install for gfortran transition. * debian/rules: Install everything from debian/tmp. (DEB_CONFIGURE_EXTRA_FLAGS): gfortran transition (see #465716). * debian/libghemical3gf.install: Ditto. * debian/libghemical-data.install: Ditto. * debian/libghemical-dev.install: Ditto. -- Daniel Leidert (dale) Mon, 10 Mar 2008 00:34:34 +0100 libghemical (2.96-1) 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/watch: Added. [ LI Daobing ] * debian/control: - Source-Version is deprecated. Makes the package binNMU safe (closes: #435945). - add me to uploaders. * debian/copyright: new FSF address. [ Michael Banck ] * debian/control (Maintainer): Set to Debichem Team. * debian/control (Build-Depends): Bump libmopac7-dev dependency to 1.13-1. * Bump soname to libghemical.so.3: + debian/control (libghemical0c2a): Renamed to ... + debian/control (libghemical3): ... this. + debian/libghemical02ca.install: Renamed to ... + debian/libghemical3.install: ... this. -- LI Daobing Tue, 23 Oct 2007 23:48:23 +0800 libghemical (2.10-1) unstable; urgency=low * New upstream release. -- Michael Banck Tue, 12 Sep 2006 02:11:51 +0200 libghemical (2.00-1) unstable; urgency=low * New upstream release. * debian/patches/02_mpqc_api_update.patch: Removed, no longer needed. * debian/control (Build-Depends): Removed libopenbabel-dev. * debian/patches/03_openbabel2.patch: Removed, no longer needed. * debian/patches/90_configure.patch: Likewise. -- Michael Banck Wed, 10 May 2006 16:20:08 +0200 libghemical (1.91-2) unstable; urgency=low * debian/control (Build-Depends): Depend on openbabel-2.0.0. (Closes: #359895) * debian/patches/03_openbabel2.patch: New file, update configure.ac to look for openbabel-2.0.0. * debian/patches/90_configure.patch: New file, regenerated configure. -- Michael Banck Sat, 1 Apr 2006 16:01:24 +0200 libghemical (1.91-1) unstable; urgency=low * New upstream release. * Sync with Ubuntu. * debian/patches/01_geomopt.patch: Removed, no longer needed. * debian/patches/99_autotools.patch: Likewise. * debian/rules (Build-Depends): Add versioned Build-Depends on C++ allocater transitioned versions of libopenbabel-dev and libsc-dev. * debian/rules (Build-Depends): Add versioned Build-Depends on libmopac7-dev 1.10-1. * debian/patches/02_mpqc_api_update.patch: New file, update for mpqc-2.3.0 API changes. * debian/control (libghemical0): Renamed to ... * debian/control (libghemical0c2a): ... this package (Closes: #339204) * debian/control (libghemical0c2a): Conflict/Replace libghemical0. * debian/control (libghemical-dev): Update Depends to libghemical0c2a. * debian/libghemical0.install: Renamed to ... * debian/libghemical0c2a.install: ... this. -- Michael Banck Wed, 16 Nov 2005 00:59:37 +0100 libghemical (1.90-1ubuntu1) breezy; urgency=low * Added MOPAC7 support -- Jordan Mantha Fri, 16 Sep 2005 22:04:04 -0700 libghemical (1.90-1) unstable; urgency=low * Initial Release. -- Michael Banck Tue, 19 Jul 2005 22:08:15 +0200 debian/control0000664000000000000000000000327612255455734010617 0ustar Source: libghemical Section: science Priority: optional Maintainer: Ubuntu Developers XSBC-Original-Maintainer: Debichem Team Uploaders: Michael Banck , Daniel Leidert (dale) Build-Depends: debhelper (>= 7.0.50~), gfortran, flex, intltool (>= 0.40.0), pkg-config (>= 0.9.0), libblas-dev, liblapack-dev, libmopac7-dev (>= 1.14), libsc-dev (>= 2.3.1-2), mesa-common-dev, dh-autoreconf, libglib2.0-dev Standards-Version: 3.9.2 Homepage: http://bioinformatics.org/ghemical/ghemical/ Vcs-Browser: http://svn.debian.org/wsvn/debichem/unstable/libghemical/ Vcs-Svn: svn://svn.debian.org/svn/debichem/unstable/libghemical/ DM-Upload-Allowed: yes Package: libghemical-dev Section: libdevel Architecture: any Depends: libghemical5 (= ${binary:Version}), libmopac7-dev, ${misc:Depends} Description: Molecular Modelling Library (development files) Libghemical is the basis of Ghemical, a GNOME Molecular Modelling Application. . This package includes the static library and the header files. Package: libghemical5 Section: libs Architecture: any Depends: ${shlibs:Depends}, ${misc:Depends}, libghemical-data (= ${source:Version}) Description: Molecular Modelling Library Libghemical is the basis of Ghemical, a GNOME Molecular Modelling Application. . This package includes the dynamically linked library. Package: libghemical-data Architecture: all Depends: ${misc:Depends} Description: Molecular Modelling Library (data files) Libghemical is the basis of Ghemical, a GNOME Molecular Modelling Application. . This package contains the parameter files for libghemicals semi-empirical methods. debian/rules0000775000000000000000000000043612255454667010273 0ustar #!/usr/bin/make -f # -*- makefile -*- #export DH_VERBOSE=1 LDFLAGS ?= LDFLAGS += -Wl,--as-needed %: dh $@ --parallel --with autoreconf override_dh_auto_configure: dh_auto_configure -- --enable-mpqc --enable-mopac7 --disable-sctest override_dh_install: dh_install --list-missing debian/watch0000664000000000000000000000017010676170403010223 0ustar # See uscan(1) for format version=3 http://bioinformatics.org/ghemical/download/current/libghemical-([\d\.]+)\.tar\.gz debian/libghemical5.install0000664000000000000000000000002211256011573013100 0ustar usr/lib/lib*.so.* debian/patches/0000775000000000000000000000000011664752245010633 5ustar debian/patches/series0000664000000000000000000000000011664471531012032 0ustar debian/compat0000664000000000000000000000000211341062120010354 0ustar 7 debian/TODO0000664000000000000000000000022310731622766007667 0ustar TODO for libghemical -------------------- + libghemical will compile twice, one in `debian/rules build', another in `debian/rules binary'. debian/libghemical-data.install0000664000000000000000000000004711256011573013731 0ustar usr/share/libghemical usr/share/locale