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nwchem (6.1-2) UNRELEASED; urgency=low
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* debian/patches/05_avoid_inline_assembler.patch: New patch, avoids the
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inlining of assembler on architectures other than i386 and amd64.
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-- Michael Banck <mbanck@debian.org> Fri, 10 Feb 2012 00:23:05 +0100
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nwchem (6.1-1) unstable; urgency=low
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* New upstream release.
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[ Michael Banck ]
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* debian/patches/02_makefile_flags.patch: Updated.
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* debian/patches/02_makefile_flags.patch: Use internal blas and lapack code.
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* debian/patches/02_makefile_flags.patch: Define GCC4 for LINUX and LINUX64
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(Closes: #632611 and LP: #791308).
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* debian/control (Build-Depends): Added openssh-client.
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* debian/rules (USE_SCALAPACK, SCALAPACK): Removed variables (Closes:
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#654658).
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* debian/rules (LIBDIR, USE_MPIF4, ARMCI_NETWORK): New variables.
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* debian/TODO: New file.
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* debian/control (Build-Depends): Removed libblas-dev, liblapack-dev and
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libscalapack-mpi-dev.
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* debian/patches/04_show_testsuite_diff_output.patch: New patch, shows the
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diff output for failed tests.
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* debian/patches/series: Adjusted.
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* debian/testsuite: Optionally run all tests if "all" is passed as option.
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* debian/rules: Run debian/testsuite with "all" if DEB_BUILD_OPTIONS
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contains "checkall".
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[ Daniel Leidert ]
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* debian/control: Used wrap-and-sort. Added Vcs-Svn and Vcs-Browser fields.
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(Priority): Moved to extra according to policy section 2.5.
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(Standards-Version): Bumped to 3.9.2.
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(Description): Fixed a typo.
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* debian/watch: Added.
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* debian/patches/03_hurd-i386_define_path_max.patch: Added.
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- Define MAX_PATH if not defines to fix FTBFS on hurd.
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* debian/patches/series: Adjusted.
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-- Michael Banck <mbanck@debian.org> Thu, 09 Feb 2012 20:02:41 +0100
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nwchem (6.0-2) unstable; urgency=low
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* debian/control (Description): Overhaul, specifying the various NWChem
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features.
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* debian/nwchem.links: Renamed to...
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* debian/nwchem-data.links: ... this.
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* debian/nwchem-data.links: Added a symlink for the pseudo-potential
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library.
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* debian/nwchem-data.dirs: New file.
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* debian/testsuite: Add some more tests.
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* debian/control (Build-Depends): Added mpi-default-dev.
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* debian/rules (USE_MPI, USE_MPIF, LIBMPI, MPI_LIB, MPI_INCLUDE): New
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variables.
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* debian/rules (CCSDTQ): New variable, gets set if DEB_BUILD_OPTIONS
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includes "ccsdtq".
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* debian/rules (override_dh_auto_build): Do not touch stamp file.
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* debian/nwchem.install: Do not ship the programmer's manual for now.
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* debian/rules (override_dh_auto_test): Do not abort build on testsuite
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failures.
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* debian/control (Build-Depends): Added libblas-dev, liblapack-dev,
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libscalapack-mpi-dev and libblacs-mpi-dev,.
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* debian/rules (HAS_BLAS, BLASOPT, USE_SCALAPACK, SCALAPACK, BLACS): New
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variables.
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* debian/patches/02_makefile_flags.patch: New patch, force gfortran defaults
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to all applicable architectures.
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* debian/control (Build-Depends): Added mpi-default-bin.
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* debian/control (nwchem/Depends): Added mpi-default-bin.
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* debian/rules (override_dh_clean): Remove src/tools/lib and QA/scratchdir
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directories as well.
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* debian/rules: Include /usr/share/mpi-default-dev/debian_defaults.
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* debian/rules (SCALAPACK, BLACS): Use $(ARCH_DEFAULT_MPI_IMPL) variable to
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specify library names.
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-- Michael Banck <mbanck@debian.org> Wed, 28 Sep 2011 00:28:20 +0200
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nwchem (6.0-1) unstable; urgency=low
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* Initial upload (Closes: #598728).
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-- Michael Banck <mbanck@debian.org> Mon, 25 Apr 2011 10:15:12 +0200
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