psi4 (1:1.1-5) unstable; urgency=medium

  * debian/control (Build-Depends): Added python3-pytest.
  * debian/patches/verbose_makefile.patch: New patch, turns on verbose CMake
    output.
  * debian/rules (override_dh_auto_configure): Define ENABLE_XHOST to off and
    MAX_AM_ERI to 4 in line with libint-dev package, remove no longer used
    definitions.
  * debian/rules (override_dh_auto_test): Adjust test directory following
    upstream's renaming.
  * debian/rules (override_dh_auto_install): No longer install the HTML manual
    (Closes: #887068).  
  * debian/psi4-data.install: Likewise.

 -- Michael Banck <mbanck@debian.org>  Sun, 14 Jan 2018 11:12:10 +0100

psi4 (1:1.1-4) unstable; urgency=medium

  * debian/rules: Set builddirectory option globally.

 -- Michael Banck <mbanck@debian.org>  Mon, 08 Jan 2018 19:15:01 +0100

psi4 (1:1.1-3) unstable; urgency=medium

  * debian/rules (override_dh_auto_build): Remove rule. 

 -- Michael Banck <mbanck@debian.org>  Mon, 08 Jan 2018 17:40:01 +0100

psi4 (1:1.1-2) unstable; urgency=medium

  * debian/upstream/metadata: Citation updated with 1.1 JCTC paper.
  * debian/patches/fix_manual_build.patch: New patch, fixes building the sphinx
    manual, taken from upstream commits 92b4c55b and 17b16a23.
  * debian/control (Build-Depends): Switch python packages to python3.
  * debian/psi4-data.install: Update directory.
  * debian/psi4.install: Include /usr/lib/psi4 as well.

 -- Michael Banck <mbanck@debian.org>  Mon, 08 Jan 2018 15:51:17 +0100

psi4 (1:1.1-1) unstable; urgency=medium

  * New upstream release.  New features include:
   + RHF second derivatives
   + RHF-CCSD(T) gradients
   + RHF-CC2 gradients
   + X2C relativistic corrections

  [ Michael Banck ]
  * debian/watch: Updated.
  * debian/control: Update description with new features.
  * debian/control (Build-Depends): Added python-pybind11 and bumped required
    libint-dev version to 1.2.0.
  * debian/patches/relax_dmrg_caspt2_test.patch: Updated.
  * debian/patches/libderiv_include_location.patch: New patch, includes the
    libderiv.h header from its own directory.
  * debian/patches/system_libint.patch,
    debian/patches/default_data_directory.patch,
    fix-cloud_sptheme-sphinx1.4.patch: Disabled for now.

 -- Michael Banck <mbanck@debian.org>  Sat, 06 Jan 2018 22:59:28 +0100

psi4 (1:1.0-1) unstable; urgency=medium

  * New upstream stable release.  Changes since beta5 include:
   + CASSCF and DF-CASSCF energies.
   + DF-CCSD gradients
   + DF/CD-orbital optimized MP2
   + X2C scalar relativistic corrections
  * debian/patches/psi4rc-changes.patch: Removed, no longer needed. 
  * debian/patches/chemps_1_7_support.patch: Likewise.
  * debian/patches/relax_dmrg_caspt2_test.patch: Refreshed.
  * debian/patches/default_data_directory.patch: Likewise.

 -- Michael Banck <mbanck@debian.org>  Fri, 23 Sep 2016 22:02:40 +0200

psi4 (1:1.0~rc-3) unstable; urgency=medium

  * debian.rules: Disable automatically enabled build options,
    fixes FTBFS in Ubuntu. (Closes: #827769)
  * debian/patches/fix-cloud_sptheme-sphinx1.4.patch: New patch,
    fix building documentation with Sphinx 1.4, see #829230.

 -- Graham Inggs <ginggs@debian.org>  Wed, 06 Jul 2016 11:16:43 +0200

psi4 (1:1.0~rc-2) unstable; urgency=medium

  * debian/rules (dh_override_auto_test): Set CTEST_OUTPUT_ON_FAILURE=TRUE.

 -- Michael Banck <mbanck@debian.org>  Sun, 29 May 2016 21:28:48 +0200

psi4 (1:1.0~rc-1) unstable; urgency=medium

  * New upstream release candidate.
  * debian/patches/git_version_fix.patch: Removed, no longer needed.
  * debian/patches/gcc5_compile_error.patch: Likeweise.
  * debian/patches/fix-deprecated-perl-defined.patch: Likewise.
  * debian/control (Description): Update capabilities.
  * debian/patches/chemps_1_7_support.patch: New patch, adds support for
    version 1.7 of chemps2.
  * debian/patches/system_libint.patch: Refreshed and updated.
  * debian/rules (override_dh_auto_install): Update list of samples.
  * debian/control (Build-Depends): Removed libgsl-dev.
  * debian/patches/default_data_directory.patch: New patch, reverts the data
    directory to `/usr/share/psi', from `/usr/share/psi4'.
  * debian/patches/relax_dmrg_caspt2_test.patch: New patch, makes the
    dmrg-caspt2-n2 testcase take less time.

 -- Michael Banck <mbanck@debian.org>  Sat, 28 May 2016 21:53:24 +0200

psi4 (1:0.3-5) unstable; urgency=medium

  * Fix FTBFS with perl 5.22, thanks gregor herrmann. (Closes: #810017)
  * Update debian/watch, remove debian/get-orig-source.sh and
    debian/README.source since upstream moved to GitHub.
  * Update debian/copyright: remove one unnecessary item, add two items,
    fix license short names to make Lintian happy.
  * Add debian/clean to fix FTBFSx2.

 -- Graham Inggs <ginggs@debian.org>  Tue, 12 Jan 2016 17:10:34 +0200

# For older changelog entries, run 'apt-get changelog psi4-data'
