[Debichem-devel] cp2k_3.0.0-1_source.changes ACCEPTED into unstable

[Debian FTP Masters]

Accepted:

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Hash: SHA1

Format: 1.8
Date: Sun, 29 May 2016 16:21:00 +0200
Source: cp2k
Binary: cp2k cp2k-data
Architecture: source
Version: 3.0.0-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck at debian.org>
Description:
 cp2k       - Ab Initio Molecular Dynamics
 cp2k-data  - Ab Initio Molecular Dynamics (data files)
Changes:
 cp2k (3.0.0-1) unstable; urgency=medium
 .
   * New upstream release, new features include:
     + K-points for GGA DFT
     + Unrestricted MP2 gradients
     + Implicit Poisson solver, with dielectric, and different boundary
       conditions
     + Improvements in the path integral code, including the PIGLET thermostat
     + G0W0 and eigenvalue self-consistent GW
     + Filtered basis method
     + Polarized atomic orbitals
   * debian/patches/testsuite_output.patch: Refreshed.
   * debian/patches/elpa2_support.patch: Removed, no longer needed.
   * debian/patches/data_files_standard_location.patch: Likewise.
   * debian/control (Build-Depends): Bump libelpa-dev dependency to
     2016.05.001-1.
   * debian/patches/makeflags.patch: Update ELPA define to __ELPA3.
   * debian/patches/makeflags.patch: Add /usr/include to include path for
     LibXC's Fortran90 modules.
   * debian/patches/makeflags.patch: Add LibXC's Fortran90 to LIBS.
   * debian/patches/libxc3_support.patch: New patch, conditionalize XC
     functional names according to major version.
   * debian/control (Build-Depends): Bump libxc-dev dependency to
     3.0.0-1.
   * debian/cp2k.examples: Replaced no longer present He-ri.inp example with
     H2O-hfx-1.inp.
   * debian/rules (override_dh_auto_test): Update list of regression test
     directories.
   * debian/regtest.config: Add numprocs=1 to regression tester config.
Checksums-Sha1:
 97ec4defb5d96a9d13adcf7a2e6bf7d909ab4503 2144 cp2k_3.0.0-1.dsc
 43da0a686c56a2809dbf05158971b25cf9d5d5fa 48249778 cp2k_3.0.0.orig.tar.bz2
 3ced79f3f00d369934fba272370d1af9f90f60a5 13184 cp2k_3.0.0-1.debian.tar.xz
Checksums-Sha256:
 cf164e429ae2f31baf6333d9aa0f5232998221b1639ac800ef4807074987c100 2144 cp2k_3.0.0-1.dsc
 1acfacef643141045b7cbade7006f9b7538476d861eeecd9658c9e468dc61151 48249778 cp2k_3.0.0.orig.tar.bz2
 761916a5136ff09d58ac4a806aeecca2671f75311f83b1229459a750c4bfeab5 13184 cp2k_3.0.0-1.debian.tar.xz
Files:
 f196dc0fdfe944304c32f687763737d4 2144 science optional cp2k_3.0.0-1.dsc
 c05bc47335f68597a310b1ed75601d35 48249778 science optional cp2k_3.0.0.orig.tar.bz2
 b3b6f7fe81cf11ffd4f0542a90d90fc1 13184 science optional cp2k_3.0.0-1.debian.tar.xz

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