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Accepted molds 0.3.0-1 (source amd64)



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Format: 1.8
Date: Sun, 22 Dec 2013 20:30:51 +0100
Source: molds
Binary: molds
Architecture: source amd64
Version: 0.3.0-1
Distribution: unstable
Urgency: low
Maintainer: Michael Banck <mbanck@debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description: 
 molds      - Semi-empirical electronic structure and molecular dynamics
Changes: 
 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.
Checksums-Sha1: 
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 9afd66f1baa954eb3eb42b6d98baed5c27e38fed 336412 molds_0.3.0-1_amd64.deb
Checksums-Sha256: 
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Files: 
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 1e483a8fccdb5d9f33fc863a598b4e38 1047205 science optional molds_0.3.0.orig.tar.gz
 e4c3e5da7fa9a81bc42cbe734bf14455 4570 science optional molds_0.3.0-1.debian.tar.gz
 2940601c7f9d91bcc671f0f975d1a14d 336412 science optional molds_0.3.0-1_amd64.deb

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