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mpqc3 0.0~git20170114-4.1
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mpqc3 (0.0~git20170114-4.1) unstable; urgency=low

  * Non-maintainer upload.
  * Work around address space limitations on 32bit by
    building with -g1. (Closes: #854555)
  * Link with libatomic on armel.

 -- Adrian Bunk <bunk@debian.org>  Sat, 01 Dec 2018 09:45:19 +0200

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