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Accepted cp2k 2.5.0-1 (source amd64 all)

Hash: SHA1

Format: 1.8
Date: Sat, 01 Mar 2014 17:17:41 +0100
Source: cp2k
Binary: cp2k cp2k-data
Architecture: source amd64 all
Version: 2.5.0-1
Distribution: unstable
Urgency: low
Maintainer: Michael Banck <mbanck@debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
 cp2k       - Ab Initio Molecular Dynamics
 cp2k-data  - Ab Initio Molecular Dynamics (data files)
 cp2k (2.5.0-1) unstable; urgency=low
   * New upstream release, new features include:
     + MP2 and RI-MP2 gradients
     + Absolutely Localized Molecular Orbitals SCF (ALMO-SCF) energies
       for linear scaling of molecular systems
     + Global optimization of geometries
     + Tree Monte Carlo: additional parallelism in MC
     + Post-SCF linear response, including Raman
     + Relativistic corrections for atomic blocks
     + Integrated molecular basis set optimization
     + RI-MP2 auxiliary basis optimization
   [ Michael Banck ]
   * debian/control (Description): Overhauled.
   * debian/cp2k-data.install: Added NLCC_POTENTIALS data file.
   * debian/upstream: Updated citation reference and Repository-Browse URL.
   * debian/patches/testsuite_output.patch: Refreshed.
   * debian/cp2k.examples: Updated for moved regtest.
   * debian/cp2k.docs: Removed, the tutorials were moved to the website.
   * debian/rules (override_dh_auto_clean, override_dh_auto_build): Directory
     "web/manual" got renamed to "tools/manual", rename acoordingly.  Also drop
     the javascript-enabled version of the manual, as the respective .xsl file
     no longer exists (or rather, the javascript version is now the standard).
   * debian/cp2k-data.install: Likewise.
   * debian/rules (override_dh_auto_test): do_regtest has been moved to
     tools/regtesting, rename accordingly.
   * debian/regtest.config: Likewise.
   * debian/regtest.config: New variables "quick", "nobuild" and "nosvn".
   * debian/rules (override_dh_auto_test): Remove -quick option from
   * debian/patches/makefile_linking.patch: New patch, adds required internal
     and external libraries to fes linking command-line.
   * debian/patches/makeflags.patch: Removed OBJECTS_ARCHITECTURE variable, as
     it is on longer used by the code.
   * debian/control (Description): Updated for new 2.5.0 features.
   * debian/rules (override_dh_auto_test): Replaced several regtest directories
     with similar, but quicker to run, directories.  Also add several more
     regtest directories.
   * debian/patches/fortran_continuing_lines.patch: Removed, no longer needed.
   * debian/patches/subversion_branch.patch: New patch, adds revisions from
     upstream cp2k-2_5-branch: r13644.
 f9838d34d86dc7ab78ee14e1b30d51c09d367cbd 1721 cp2k_2.5.0-1.dsc
 71e98c69a8d0566f651db4aea8fab1047d78b20b 23196221 cp2k_2.5.0.orig-testresults.tar.bz2
 64db65d8cc079894a8753a52a8a77b7202809f0e 49087051 cp2k_2.5.0.orig.tar.bz2
 db5df4c6cfc3125cb068ee45a815c7ca23802551 12512 cp2k_2.5.0-1.debian.tar.xz
 d4eaaf3445acc00ff8dfcf696b56bc23e595023b 9736162 cp2k_2.5.0-1_amd64.deb
 e51a367266f7e29413fbbf58cfe824c30486416e 17563122 cp2k-data_2.5.0-1_all.deb
 6c9aebf5805f9bd1a8e2858e7ca9eac854e109364704175ec67c8970b0daa431 1721 cp2k_2.5.0-1.dsc
 4a086bade7d6cd82fc77737ee8e651dd810a29dede4c15438cf1abf9b827a65e 23196221 cp2k_2.5.0.orig-testresults.tar.bz2
 2b53e90c35dd64d30f63f9eecd3aed5a705746b10ac5d1967861cd9f97440535 49087051 cp2k_2.5.0.orig.tar.bz2
 e4d7206046391136b249ce3ed256c6e98930ea62aa6a1b165fe06e2e65bc96b7 12512 cp2k_2.5.0-1.debian.tar.xz
 b1d526405c43cfad7a57f5df8db6e9dbc29730bb23433216a955898188fcf116 9736162 cp2k_2.5.0-1_amd64.deb
 e632a2a9b8a9267e853876f7389fff41170ac1b8ffc5a75ebc9f41c86972a2d2 17563122 cp2k-data_2.5.0-1_all.deb
 357f72a5edc56803f4ce4a713f03836f 1721 science optional cp2k_2.5.0-1.dsc
 49e213725c9cb77454fdf3360eee050f 23196221 science optional cp2k_2.5.0.orig-testresults.tar.bz2
 16e90e0994593544912e1d211ccce002 49087051 science optional cp2k_2.5.0.orig.tar.bz2
 8a2886a0a0cc58571bb4e67dada066e8 12512 science optional cp2k_2.5.0-1.debian.tar.xz
 66cbc61a4ba939fb667131664b51a78d 9736162 science optional cp2k_2.5.0-1_amd64.deb
 33ddb78b4c0f0f461c77e79701f159fe 17563122 science optional cp2k-data_2.5.0-1_all.deb

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