molds (0.3.1-1) unstable; urgency=medium * New upstream release. * Acknowledge NMU. * debian/patches/makefile_flags.patch: Updated. * debian/patches/testsuite_output.patch: Updated, one hunk applied upstream. * debian/patches/testsuite_output.patch: Fixed patch to not filter out everything. * debian/control (Standards-Version): Bumped to 3.9.6. -- Michael Banck Sun, 26 Oct 2014 20:09:18 +0100 molds (0.3.0-3.1) unstable; urgency=medium * Non-maintainer upload. * Fix build failure with GCC 4.9 (Katsuhiko Nishimra). Closes: #746884. -- Matthias Klose Sat, 09 Aug 2014 14:06:55 +0200 molds (0.3.0-3) unstable; urgency=low * debian/control (Build-Depends): Added mpi-default-bin. -- Michael Banck Mon, 23 Dec 2013 11:10:57 +0100 molds (0.3.0-2) unstable; urgency=low * debian/rules (CC): Reintroduced as mpicxx. * debian/rules (override_dh_auto_test): Filter out warnings from OpenBLAS rather than redirecting stderr to /dev/null. * debian/patches/testsuite_output.patch: New patch, removes spurious "Max Heap:" differences from output diffing. -- Michael Banck Mon, 23 Dec 2013 00:24:40 +0100 molds (0.3.0-1) unstable; urgency=low * New upstream release (upstream tarball based on subversion revision 1586). New features include: - Hybrid MPI/OpenMP parallelization. - GEDIIS algorithm added for geometry optimizations - Mulliken population in excited states - Unpaired electron population * debian/patches/makefile_flags.patch: Updated. * debian/control (Build-Depends): Added mpi-default-dev. * debian/rules (CC): Removed. * debian/control (Build-Depends): Added libboost-mpi-dev, libboost-serialization-dev and libboost-thread-dev. * debian/rules (override_dh_auto_build): Do not run depend target explicitly. * debian/rules (LIBS): Renamed to ... * debian/rules (LIBSBASE): ... this. * debian/rules (LIBSBASE): Added -lstdc++, -lm, -lmpi and -lmpi_cxx. * debian/patches/lapacke_rpath.patch: Removed. * debian/molds.install: Updated to renamed filename. * debian/molds.links: New file, ship a compatibility symlink for the renamed MolDS.out executable. * debian/rules (override_dh_auto_clean): Remove test/temp.dat, if present. * debian/rules (OMPI_MCA_orte_rsh_agent): New variable. * debian/patches/makefile_flags.patch: Added -lboost_system to BOOST_LIBS variable. * debian/rules (override_dh_auto_test): Teporarily redirect stderr to /dev/null to avoid very large amounts (> 1 million) of warnings from OpenBLAS (see #684344). * debian/molds.examples: New file, adding some test cases as exapmles. -- Michael Banck Sun, 22 Dec 2013 20:30:51 +0100 molds (0.2.0-1) unstable; urgency=low * New upstream relesae (upstream tarball based on subversion revision 1157). * debian/patches/makefile_flags.patch: Updated. * debian/patches/lapacke_rpath.patch: Updated. * debian/control (Build-Depends): Added libblas-dev. * debian/rules (LIBS): New variable. -- Michael Banck Sat, 29 Dec 2012 19:52:03 +0100 molds (0.0~20120819-1) unstable; urgency=low * Initial release (Closes: #685316). -- Michael Banck Sun, 19 Aug 2012 15:54:52 +0200