bagel (1.2.2-2) unstable; urgency=medium
[ Jelmer Vernooij ]
* Use secure copyright file specification URI.
* Trim trailing whitespace.
[ Daniel Leidert ]
* d/compat: Raise to 12.
* d/control (Build-Depends): Raise debhelper to version 12. Use python3-dev
instead of python-dev (closes: #942912).
(Standards-Version): Bump to 4.4.1.
(Architecture): Limit to 64bit architectures (closes: #811449).
-- Michael Banck <mbanck@debian.org> Fri, 12 Mar 2021 13:49:59 +0100
bagel (1.2.2-1) unstable; urgency=medium
* New upstream release.
* debian/patches/fix_dkhgrad.patch: Removed, no longer needed.
-- Michael Banck <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> Thu, 29 Nov 2018 11:23:19 +0100
bagel (1.2.0-3) unstable; urgency=medium
* debian/rules: Disable parallelism completely.
-- Michael Banck <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <ginggs@debian.org> 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 <mbanck@debian.org> 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 <mbanck@debian.org> 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 <ginggs@debian.org> 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 <mbanck@debian.org> Wed, 04 May 2016 15:50:47 +0200
bagel (0.0~git20150902-1) unstable; urgency=medium
* Initial release (Closes: #797798)
-- Michael Banck <mbanck@debian.org> Sun, 17 Jan 2016 13:04:30 +0100