nwchem (6.1-4) UNRELEASED; urgency=low

  * 

 -- Michael Banck <mbanck@debian.org>  Sat, 31 Mar 2012 13:08:42 +0200

nwchem (6.1-3) unstable; urgency=low

  * debian/testsuite: Removed cosmo_trichloroethene, as it takes much longer
    than the others tests and does not provide any obvious additional coverage
    compared to cosmo_h2o.
  * debian/control (Description): Overhauled.
  * debian/control (Build-Depends): Switch from texlive-latex-base to
    texlive-latex-recommended (Closes: #666315).

 -- Michael Banck <mbanck@debian.org>  Sat, 31 Mar 2012 12:04:19 +0200

nwchem (6.1-2) unstable; urgency=low

  * debian/patches/05_avoid_inline_assembler.patch: New patch, avoids the
    inlining of assembler on architectures other than i386 and amd64.
  * debian/patches/02_makefile_flags.patch: Updated to also set peigs/DEFS to
    useful values, avoids unconditional use of ifort as fortran compiler on
    ia64. 
  * debian/patches/06_statfs_kfreebsd.patch: New patch, fixes header files for
    statfs definitions on kfreebsd-*.
  * debian/patches/07_ga_target_force_linux.patch: New patch, forces the
    Global Arrays TARGET variable to LINUX on s390*. 
  * debian/patches/08_lapack_constants_headers.patch: New patch, fixes
    platform definitions so that the lapack symbols get defined.

 -- Michael Banck <mbanck@debian.org>  Sat, 11 Feb 2012 19:38:26 +0100

nwchem (6.1-1) unstable; urgency=low

  * New upstream release.

  [ Michael Banck ]
  * debian/patches/02_makefile_flags.patch: Updated.
  * debian/patches/02_makefile_flags.patch: Use internal blas and lapack code.
  * debian/patches/02_makefile_flags.patch: Define GCC4 for LINUX and LINUX64
    (Closes: #632611 and LP: #791308).
  * debian/control (Build-Depends): Added openssh-client.
  * debian/rules (USE_SCALAPACK, SCALAPACK): Removed variables (Closes:
    #654658).
  * debian/rules (LIBDIR, USE_MPIF4, ARMCI_NETWORK): New variables.
  * debian/TODO: New file.
  * debian/control (Build-Depends): Removed libblas-dev, liblapack-dev and
    libscalapack-mpi-dev.
  * debian/patches/04_show_testsuite_diff_output.patch: New patch, shows the
    diff output for failed tests.
  * debian/patches/series: Adjusted.
  * debian/testsuite: Optionally run all tests if "all" is passed as option.
  * debian/rules: Run debian/testsuite with "all" if DEB_BUILD_OPTIONS
    contains "checkall".

  [ Daniel Leidert ]
  * debian/control: Used wrap-and-sort. Added Vcs-Svn and Vcs-Browser fields.
    (Priority): Moved to extra according to policy section 2.5.
    (Standards-Version): Bumped to 3.9.2.
    (Description): Fixed a typo.
  * debian/watch: Added.
  * debian/patches/03_hurd-i386_define_path_max.patch: Added.
    - Define MAX_PATH if not defines to fix FTBFS on hurd.
  * debian/patches/series: Adjusted.

 -- Michael Banck <mbanck@debian.org>  Thu, 09 Feb 2012 20:02:41 +0100

nwchem (6.0-2) unstable; urgency=low

  * debian/control (Description): Overhaul, specifying the various NWChem
    features.
  * debian/nwchem.links: Renamed to...
  * debian/nwchem-data.links: ... this.
  * debian/nwchem-data.links: Added a symlink for the pseudo-potential
    library.
  * debian/nwchem-data.dirs: New file. 
  * debian/testsuite: Add some more tests.
  * debian/control (Build-Depends): Added mpi-default-dev. 
  * debian/rules (USE_MPI, USE_MPIF, LIBMPI, MPI_LIB, MPI_INCLUDE): New
    variables.
  * debian/rules (CCSDTQ): New variable, gets set if DEB_BUILD_OPTIONS
    includes "ccsdtq".
  * debian/rules (override_dh_auto_build): Do not touch stamp file. 
  * debian/nwchem.install: Do not ship the programmer's manual for now. 
  * debian/rules (override_dh_auto_test): Do not abort build on testsuite
    failures. 
  * debian/control (Build-Depends): Added libblas-dev, liblapack-dev,
    libscalapack-mpi-dev and libblacs-mpi-dev,. 
  * debian/rules (HAS_BLAS, BLASOPT, USE_SCALAPACK, SCALAPACK, BLACS): New
    variables.
  * debian/patches/02_makefile_flags.patch: New patch, force gfortran defaults
    to all applicable architectures.
  * debian/control (Build-Depends): Added mpi-default-bin.
  * debian/control (nwchem/Depends): Added mpi-default-bin.
  * debian/rules (override_dh_clean): Remove src/tools/lib and QA/scratchdir
    directories as well.
  * debian/rules: Include /usr/share/mpi-default-dev/debian_defaults.
  * debian/rules (SCALAPACK, BLACS): Use $(ARCH_DEFAULT_MPI_IMPL) variable to
    specify library names.

 -- Michael Banck <mbanck@debian.org>  Wed, 28 Sep 2011 00:28:20 +0200

nwchem (6.0-1) unstable; urgency=low

  * Initial upload (Closes: #598728).

 -- Michael Banck <mbanck@debian.org>  Mon, 25 Apr 2011 10:15:12 +0200