[Debichem-devel] nwchem_6.6+r27746-1_source.changes ACCEPTED into unstable

[Debian FTP Masters]

Accepted:

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Format: 1.8
Date: Sat, 13 Feb 2016 21:56:16 +0100
Source: nwchem
Binary: nwchem nwchem-data
Architecture: source
Version: 6.6+r27746-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck at debian.org>
Description:
 nwchem     - High-performance computational chemistry software
 nwchem-data - High-performance computational chemistry software (data files)
Changes:
 nwchem (6.6+r27746-1) unstable; urgency=medium
 .
   * New upstream release.  New features include:
     + New AIMD ab-initio molecular dynamics module (NVT, NVE) for molecular
       systems with gaussian basis sets
     + York-Karplus approach in the COSMO solvation model
     + Metropolis NVT and NPT added to PSPW module
     + Grimme2 and Grimme3 potentials added to NWPW module
     + New, simple to use, implementation of the PAW method into PSPW module
     + Equation parser for defining collective variables in Metadynamics and
       TAMD
   * debian/patches/03_hurd-i386_define_path_max.patch: Refreshed.
   * debian/patches/06_statfs_kfreebsd.patch: Likewise.
   * debian/patches/07_ga_target_force_linux.patch: Likewise.
   * debian/patches/11_fix_armci_locks.patch: Likewise.
   * debian/patches/12_pythonlib_multiarch_path.patch: Likewise.
   * debian/patches/16_deterministic_timestamp_in_ar_workaround.patch: Likewise.
   * debian/control (Build-Depends): Added pkg-config.
   * debian/rules (LIBMPI): Updated for new OpenMPI, thanks to Graham Inggs.
   * debian/rules (override_dh_auto_clean): Remove src/util/util_module_avail.F.
   * debian/patches/02_makefile_flags.patch: Updated.
   * debian/patches/14_fix_ga_download.patch: Removed, no longer needed.
Checksums-Sha1:
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 b922e3ec520447aeff2d78ea3d8f376132e556b0 98351363 nwchem_6.6+r27746.orig.tar.bz2
 2a6ee6051b3671b0f9ae23def3cbc07a158ae0e8 20044 nwchem_6.6+r27746-1.debian.tar.xz
Checksums-Sha256:
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 7b9b324883500c412476420d3591c283c1a68068b2ab6ce185d869d82497f798 98351363 nwchem_6.6+r27746.orig.tar.bz2
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Files:
 b0700045b2e1598d0a3a1025fefb3844 2211 science optional nwchem_6.6+r27746-1.dsc
 3679aa8778bdf319bcbb55427d27d55d 98351363 science optional nwchem_6.6+r27746.orig.tar.bz2
 e2c2aec08e28a52eacd5db48b69ffdb6 20044 science optional nwchem_6.6+r27746-1.debian.tar.xz

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