Accepted cp2k 7.1-1 (source) into experimental
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Hash: SHA256
Format: 1.8
Date: Sat, 04 Jan 2020 12:36:11 +0100
Source: cp2k
Architecture: source
Version: 7.1-1
Distribution: experimental
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Changes:
cp2k (7.1-1) experimental; urgency=medium
.
* New upstream release, new features include:
+ xTB tight-binding module
+ New canonical worm algorithm for HELIUM module
+ X-ray absorption spectra simulations using linear-response
TDDFT (XAS_TDP)
+ Contact-specific temperature, correct shift and scale factors for NEGF
+ Major updates to S-ALMO module
* debian/patches/testsuite_output.patch: Updated.
* debian/patches/libint2_support.patch: Removed, no longer needed.
* debian/watch: Updated to use the upstream-provided tarball including DBCSR
instead of the tag archive for now.
* debian/patches/makeflags.patch: Remove -ffast-math from FCFLAGS.
* debian/cp2k.examples: Updated.
* debian/control (Build-Depends): Bump libelpa-dev to 2019.11.001.
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Files:
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