-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Thu, 31 Dec 2020 14:12:29 +0100
Source: cp2k
Architecture: source
Version: 8.1-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Changes:
cp2k (8.1-1) unstable; urgency=medium
.
* New upstream release.
+ RI-HFX: Add resolution of identity for Hartree-Fock exchange
+ ALMO: Add trust region methods
+ Linear Scaling DFT: New implementation based on the submatrix method and
matrix sign function
+ TDDFPT code refactoring, add sTDA kernel, xTB/sTDA method
+ Response code for polarizabilities: add finite difference debug, hybrid
functionals, and ADMM
+ Harris functional based on Kohn-Sham density
+ NNP: Behler-Parrinello Neural Network Potentials
+ XAS_TDP: Add OT solver and improve performance
+ mGGA: Add stress tensor
* debian/patches/python3.patch: Removed, no longer needed.
* debian/patches/dbcsr_gfortran10.patch: Likewise.
* debian/patches/gfortran10.patch: Likewise.
* debian/patches/testsuite_output.patch: Refreshed.
* debian/patches/makeflags.patch: Add CFLAGS variable, defining now required
-fopenmp, add -fopenmp to FCFLAGS and drop -fallow-argument-mismatch from
it.
* debian/rules (override_dh_auto_test): Add one more regtest directory.
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