bagel (1.2.2-1) unstable; urgency=medium * New upstream release. * debian/patches/fix_dkhgrad.patch: Removed, no longer needed. -- Michael Banck Tue, 01 Jan 2019 12:20:07 +0100 bagel (1.2.0-5) unstable; urgency=medium * debian/rules (override_dh_auto_configure): Replace free with `cat /proc/meminfo'. -- Michael Banck Thu, 29 Nov 2018 11:51:25 +0100 bagel (1.2.0-4) unstable; urgency=medium * debian/rules (override_dh_auto_configure): Run free to figure out available memory before build. * debian/rules (CXXFLAGS): Use -g1 instead of -g. -- Michael Banck Thu, 29 Nov 2018 11:23:19 +0100 bagel (1.2.0-3) unstable; urgency=medium * debian/rules: Disable parallelism completely. -- Michael Banck Wed, 28 Nov 2018 18:33:13 +0100 bagel (1.2.0-2) unstable; urgency=medium * debian/rules: Set maximum parallelism to 2. -- Michael Banck Tue, 27 Nov 2018 18:30:31 +0100 bagel (1.2.0-1) unstable; urgency=medium * New upstream release. * debian/patches/fix_dkhgrad.patch: New patch, fixes DKH gradients, taken from upstream commit 9f130bf. * debian/tests: Add autopkgtests. -- Michael Banck Sun, 25 Nov 2018 20:55:07 +0100 bagel (1.1.2-1) unstable; urgency=medium * New upstream point release. * debian/patches/add_missing_includes.patch: Removed, no longer needed. * debian/rules: Set --with-boost-libdir. -- Michael Banck Sat, 01 Sep 2018 21:07:50 +0200 bagel (1.1.1-2) unstable; urgency=medium * debian/rules (dh): Re-enable parallel builds (Closes: #851785). -- Michael Banck Tue, 08 May 2018 09:45:44 +0200 bagel (1.1.1-1) unstable; urgency=medium * New upstream point release. * debian/patches/add_missing_includes.patch: New patch. * debian/rules (LIBS): Removed -lmpi (Closes: 897095). -- Michael Banck Sun, 06 May 2018 22:26:51 +0200 bagel (1.1.0-1) unstable; urgency=medium * New upstream release. * debian/watch: New file. -- Michael Banck Sat, 10 Feb 2018 15:44:13 +0100 bagel (1.0.1-3) unstable; urgency=medium * debian/control: Handle removal of bagel-data package via Breaks: and Replaces: (Closes: #881645). -- Michael Banck Mon, 13 Nov 2017 21:35:53 +0100 bagel (1.0.1-2) unstable; urgency=medium * debian/control (bagel-data): Remove package (Closes: #881484). * debian/bagel-data.install: Removed and moved content to ... * debian/bagel.install: ... here. * debian/patches/add_missing_includes.patch: Removed, no longer needed. -- Michael Banck Sun, 12 Nov 2017 12:34:39 +0100 bagel (1.0.1-1) unstable; urgency=medium * New upstream stable release. New features include: + Magnetic fields in relativistic CASSCF * debian/patches/skip_failing_testcases.patch: Updated. * debian/control: Updated description. * debian/bagel.dirs: New file. * debian/rules (override_dh_auto_install): Install HTML manual. -- Michael Banck Sat, 11 Nov 2017 15:43:40 +0100 bagel (0.0~git20170906-2) unstable; urgency=medium * debian/patches/skip_failing_testcases.patch: Updated to ignore all ZCASSCF testcases for now. -- Michael Banck Thu, 07 Sep 2017 09:21:39 +0200 bagel (0.0~git20170906-1) unstable; urgency=medium * New upstream development snapshot. New features include: + Configuration Interaction Singles (CIS) [ Michael Banck ] * debian/upstream/metadata: Use the Comput. Mol. Sci. review article as citation. * debian/patches/install_all_basis_sets.patch: Removed, applied upstream. * debian/patches/fix_linking_error.patch: Likewise. * debian/patches/skip_failing_testcases.patch: Refreshed. -- Michael Banck Wed, 06 Sep 2017 15:23:59 +0200 bagel (0.0~git20170109-1) unstable; urgency=medium * New upstream development snapshot. New features include: + Periodic HF via the Fast Multipole Method (FMM) + Non-Adiabatic Coupling Matrix Elements (NACMEs) for CASSCF and CASPT2. * debian/patches/fix_linking_error.patch: Adjusted. * debian/patches/skip_failing_testcases.patch: Refreshed. * debian/patches/add_missing_file.patch: Removed, no longer needed. * debian/patches/disable_large_integral_file.patch: Removed. * debian/patches/skip_mrci.patch: Likewise. * debian/rules (CXXFLAGS): Add -DZDOT_RETURN. -- Michael Banck Tue, 17 Jan 2017 20:20:33 +0100 bagel (0.0~git20161215-3) unstable; urgency=medium * debian/patches/disable_large_integral_file.patch: Disable patch for now. * debian/patches/skip_mrci.patch: Likewise. -- Michael Banck Fri, 06 Jan 2017 19:11:21 +0100 bagel (0.0~git20161215-2) unstable; urgency=medium * debian/patches/skip_failing_testcases.patch: Refreshed and reactivated. -- Michael Banck Thu, 05 Jan 2017 09:45:32 +0100 bagel (0.0~git20161215-1) unstable; urgency=medium * New upstream development snapshot. * debian/patches/skip_mrci.patch: Refreshed. * debian/patches/gcc6.patch: Removed, no longer needed. * debian/patches/skip_failing_testcases.patch: Disabled for now. * debian/patches/add_missing_file.patch: New patch, adds a missing file, taken from upstream commit 3b537c4e. -- Michael Banck Sun, 01 Jan 2017 21:16:12 +0100 bagel (0.0~git20160507-3) unstable; urgency=medium * debian/patches/gcc6.patch: Fix FTBFS with GCC 6. (Closes: #831086) -- Graham Inggs Sat, 06 Aug 2016 16:43:48 +0200 bagel (0.0~git20160507-2) unstable; urgency=medium * debian/patches/skip_failing_testcases.patch: Readd hunk accidently removed in the previous upload. -- Michael Banck Sun, 08 May 2016 20:55:18 +0200 bagel (0.0~git20160507-1) unstable; urgency=medium * New upstream development snapshot. New features include: + Extended multistate CASPT2 (XMS-CASPT2) energies and gradients. * debian/patches/skip_mrci.patch: Refreshed. * debian/patches/disable_large_integral_file.patch: Likewise. * debian/patches/add_missing_includes.patch: Updated. * debian/patches/skip_failing_testcases.patch: Updated and added one more test. * debian/patches/install_all_basis_sets.patch: New patch, add previously missing basis set files to Makefile.am. * debian/rules (override_dh_auto_configure): Add --disable-scalapack to configure options. * debian/copyright: Changed base license from LGPL-3 to GPL-3. * debian/control (Description): Added XMS-CASPT2 and FCI to capabilities. -- Michael Banck Sun, 08 May 2016 12:23:34 +0200 bagel (0.0~git20150902-3) unstable; urgency=medium * debian/rules (dh): Disable parallel builds for buildds with limited RAM. * debian/rules (dh): Do not build --with autotools-dev. * debian/control (Build-Depends): Drop dependency on autotools-dev. * debian/compat: Bump debhelper compatibility level to 9. * debian/control (Build-Depends): Bump dependency on debhelper to >= 9. * debian/control: Add myself to uploaders. * debian/control: Use secure URI for Vcs-Browser. * debian/copyright: Minor changes to make Lintian happy. * debian/control: Bump Standards-Version to 3.9.8, no further changes. -- Graham Inggs Sat, 07 May 2016 21:26:20 +0200 bagel (0.0~git20150902-2) unstable; urgency=medium * debian/patches/add_missing_includes.patch: New patch, fixes a build failure, partly taken from upstream commit 8baa3058 (Closes: #822501). -- Michael Banck Wed, 04 May 2016 15:50:47 +0200 bagel (0.0~git20150902-1) unstable; urgency=medium * Initial release (Closes: #797798) -- Michael Banck Sun, 17 Jan 2016 13:04:30 +0100