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mpqc3 (0.0~git20170114-4) unstable; urgency=medium
* debian/rules (override_dh_auto_configure): Removed MPQC_CI from CMake
flags again, it needs several additional external libaries.
* Upload to unstable.
-- Michael Banck <mbanck@debian.org> Fri, 20 Jan 2017 23:19:33 +0100
mpqc3 (0.0~git20170114-3) experimental; urgency=medium
* debian/rules (override_dh_auto_configure): Add MPQC_CI to CMake flags.
-- Michael Banck <mbanck@debian.org> Fri, 20 Jan 2017 21:03:08 +0100
mpqc3 (0.0~git20170114-2) experimental; urgency=medium
* debian/patches/fix_cmake_find_boost.patch: New patch, removes CMake options
that lead to system Boost libraries not being found.
-- Michael Banck <mbanck@debian.org> Fri, 20 Jan 2017 09:22:52 +0100
mpqc3 (0.0~git20170114-1) experimental; urgency=medium
* New upstream development snapshot.
* debian/patches/continue_testsuite_on_failures.patch: Removed, no longer
needed.
* debian/patches/check_for_psio_purge.patch: Refreshed.
* debian/patches/disable_problematic_tests.patch: Likewise.
* debian/patches/fix_cmake_configure_error.patch: Likewise.
* debian/patches/psi3_default_directory.patch: Likewise.
* debian/patches/remove_debug_output.patch: Likewise.
* debian/control (Build-Depends): Bump libint2-dev's version to
2.3.0~beta3-1.
* debian/control (Build-Depends): Replaced mpi-default-bin and
mpi-default-dev with libmpich-dev and mpich.
* debian/control (Build-Depends): Added libboost-system-dev,
libboost-thread-dev, libmadness-dev, libtbb-dev and libtiledarray-dev.
* debian/rules (override_dh_auto_configure): Added -DMPQC_NEW_FEATURES=1 to
CMake flags.
* debian/patches/fix_build_failure_with_eigen3_3.patch: New patch, fixes a
build failure with eigen-3.3, taken from upstream commit 5375e444.
-- Michael Banck <mbanck@debian.org> Thu, 19 Jan 2017 22:38:57 +0100
mpqc3 (0.0~git20160216-7) unstable; urgency=medium
* debian/patches/disable_problematic_tests.patch: New patch, disables the
lmp2_glycine.lmp2.cd.631gs test as it times out on some architectures.
-- Michael Banck <mbanck@debian.org> Fri, 14 Oct 2016 15:19:26 +0200
mpqc3 (0.0~git20160216-6) unstable; urgency=medium
* debian/control (Build-Depends): Bump required libint2-dev version to
2.1.0-3.
* debian/patches/cmake_libint_check.patch: Removed, no longer needed.
-- Michael Banck <mbanck@debian.org> Sat, 08 Oct 2016 15:17:41 +0200
mpqc3 (0.0~git20160216-5) unstable; urgency=medium
* debian/patches/cmake_libint_check.patch: New patch, removes one check from
the Libint detection which is no longer applicable (Closes: #839361).
-- Michael Banck <mbanc@debian.org> Sun, 02 Oct 2016 19:36:10 +0200
mpqc3 (0.0~git20160216-4) unstable; urgency=medium
* debian/patches/remove_debug_output.patch: New patch, removes overly verbose
output.
* debian/control (mpqc3/Description): Mention that CASSCF-F12 and MRCI-F12
are density-fitted as well.
* debian/patches/continue_testsuite_on_failures.patch: New patch, continues
running the test suite for other integral types on failures, taken from
upstream revisions 77002df9 and 81a8a7ca.
* debian/rules (override_dh_auto_configure): Print out CMakeError.log on
failure.
-- Michael Banck <mbanck@debian.org> Sat, 01 Oct 2016 21:34:48 +0200
mpqc3 (0.0~git20160216-3) unstable; urgency=medium
* debian/patches/check_for_psio_purge.patch: Updated to properly cleanup
after psi3 computations.
* debian/patches/psi3_default_directory.patch: New patch, runs psiclean
executable from correct directory.
* debian/control (mpqc3/Description): Add MRCI-F12 to capabilities.
-- Michael Banck <mbanck@debian.org> Fri, 19 Feb 2016 08:27:43 +0100
mpqc3 (0.0~git20160216-2) unstable; urgency=medium
* debian/control (Build-Depends): Added libpsi3-dev and psi3.
* debian/control (mpqc3/Depends): Added psi3.
* debian/control (mpqc3/Description): Add CASSCF-F12 to capabilities.
* debian/patches/check_for_psio_purge.patch: New patch, avoids post
psicode-3.4.0 features.
* debian/control (Build-Depends): Added libopenbabel-dev.
-- Michael Banck <mbanck@debian.org> Fri, 19 Feb 2016 00:40:43 +0100
mpqc3 (0.0~git20160216-1) unstable; urgency=medium
* New upstream development snapshot.
-- Michael Banck <mbanck@debian.org> Wed, 17 Feb 2016 00:08:44 +0100
mpqc3 (0.0~git20160214-1) unstable; urgency=medium
* New upstream development snapshot.
+ fixes a build failure on 32bit architectures; Closes: #814130.
* debian/control (Build-Depends): Added libint2-dev.
* debian/patches/fix_cmake_configure_error.patch: Refreshed.
-- Michael Banck <mbanck@debian.org> Sun, 14 Feb 2016 14:58:16 +0100
mpqc3 (0.0~git20150911-1) unstable; urgency=medium
* Initial release.
-- Michael Banck <mbanck@debian.org> Sat, 06 Feb 2016 22:09:41 +0100
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