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 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 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 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 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 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 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 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 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 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 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 Fri, 19 Feb 2016 00:40:43 +0100 mpqc3 (0.0~git20160216-1) unstable; urgency=medium * New upstream development snapshot. -- Michael Banck 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 Sun, 14 Feb 2016 14:58:16 +0100 mpqc3 (0.0~git20150911-1) unstable; urgency=medium * Initial release. -- Michael Banck Sat, 06 Feb 2016 22:09:41 +0100