[Debichem-devel] cp2k_2.6.1-1_amd64.changes ACCEPTED into unstable

[Debian FTP Masters]

Accepted:

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Format: 1.8
Date: Fri, 01 May 2015 16:54:10 +0200
Source: cp2k
Binary: cp2k cp2k-data
Architecture: source amd64 all
Version: 2.6.1-1
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)
Closes: 749558
Changes:
 cp2k (2.6.1-1) unstable; urgency=medium
 .
   * New upstream release, new features include:
     + Improved linear scaling routines
     + Self-consistent continuum solvation (SCCS) model
     + QM/MM for Density-Functional Tight Binding (DFTB)
     + Realtime-Propagation (RTP) and Ehrenfest Molecular Dynamics (EMD) with
       Hartree-Fock exchange
     + QUIP Manybody potential
     + Hirshfeld population analysis
     + Density-Matrix (DM) and Charge Constraint Projection based ADMM methods
     + K-points framework
     + Improved Random-Phase Approximation (RPA) frequency integration methods
     + Optimization of LRI basis sets
   * debian/patches/reset_cppflags_makdepf90.patch: Removed, no longer needed.
   * debian/patches/makefile_linking.patch: Likewise.
   * debian/patches/potentials_allectron.patch: Likewise.
   * debian/patches/libxc-2.1_support.patch: Likewise.
   * debian/patches/gth_potentials_update.patch: Likewise.
   * debian/patches/testsuite_output.patch: Refreshed.
   * debian/patches/makeflags.patch: Add __DATA_DIR define to $(DFLAGS).
   * debian/control (Build-Depends): Added python.
   * debian/cp2k-data.install: Install all data files from data/.
   * debian/cp2k.links: Fix symlink (Closes: #749558).
   * debian/upstream: Moved to debian/upstream/metadata.
   * debian/control (Build-Depends): Added libelpa-dev.
   * debian/patches/makeflags.patch: Enable ELPA support.
   * debian/rules (override_dh_auto_test): Added QS/regtest-gpw-6-4 regtest for
     ELPA.
   * debian/cp2k.install: Install cp2k_shell as well.
   * debian/cp2k.links: Add symlink for cp2k_shell.
   * debian/rules (override_dh_auto_test): Added QS/regtest-hirschfeld regtest for
     Hirshfeld charges and QMMM/DFTB/regtest for QM/MM DFTB.
   * debian/patches/data_files_standard_location.patch: Alternatively strip any
     path from provided files and look them up in the data directory directly.
Checksums-Sha1:
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 0d04a629221fb0df146c862429207d70a1c0655c 25089988 cp2k_2.6.1.orig-testresults.tar.bz2
 5661e15c015e4834c89813b5b3b091b47bb9e2ef 47778103 cp2k_2.6.1.orig.tar.bz2
 2adcbb348d72475cafccae2d4d4f8d01baa56b7f 12032 cp2k_2.6.1-1.debian.tar.xz
 d2ade0173d16a4561e45464841d00a34f432b519 18128136 cp2k_2.6.1-1_amd64.deb
 84ae7d7f0af2c5c0a1ac0c9ae26f57eb85167125 17560544 cp2k-data_2.6.1-1_all.deb
Checksums-Sha256:
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 3c3899cb47887c44ec9f02c9962638285adf9c2589232ba8215384d75377eab8 25089988 cp2k_2.6.1.orig-testresults.tar.bz2
 26bef0718f84efb5197bb4d13211d2b7ad2103eced413dd2652d9b11a97868f5 47778103 cp2k_2.6.1.orig.tar.bz2
 9fc4d1ef38c13c2ede4dc3ed4824bac1659941938ccdfcb912905319b7a52c7e 12032 cp2k_2.6.1-1.debian.tar.xz
 df6a5b83975d44a69588dc5d2e2e7d3125cbd959528a0a08653f4b8abfdccd17 18128136 cp2k_2.6.1-1_amd64.deb
 4942ea185216b4b36edc212f1e5e55dc14c1db417a2a60e7f32b4a3e48822bf3 17560544 cp2k-data_2.6.1-1_all.deb
Files:
 6516799262168d835f2d7bdf9546d97f 2396 science optional cp2k_2.6.1-1.dsc
 ce0b7867fa036a8fff578c536501fa00 25089988 science optional cp2k_2.6.1.orig-testresults.tar.bz2
 bbeb19e7d5f1e2d29b3efa966ce00c45 47778103 science optional cp2k_2.6.1.orig.tar.bz2
 1e70133dfa85b94ab1f5b4db8157b19f 12032 science optional cp2k_2.6.1-1.debian.tar.xz
 def95680ee92201ef84236319b8e5ee8 18128136 science optional cp2k_2.6.1-1_amd64.deb
 6d454a172a420dafe775d3fe44b011fb 17560544 science optional cp2k-data_2.6.1-1_all.deb

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