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cp2k (8.1-9) unstable; urgency=medium
* debian/cp2k.links: Switch link targets to psmp (Closes: #985519).
-- Michael Banck <email address hidden> Tue, 23 Mar 2021 09:02:52 +0100
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cp2k (8.1-8) unstable; urgency=medium
* debian/rules (override_dh_auto_test): Fail build if tests fail.
* debian/tests/control: Add libint2-2 Depends on version 2.6.0-11.
-- Michael Banck <email address hidden> Thu, 18 Feb 2021 23:03:35 +0100
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cp2k (8.1-6) unstable; urgency=medium
* debian/patches/makeflags.patch: Add -lstdc++ to LIBS.
* debian/rules (Build-Depends): Bump libint2-dev version to 2.6.0-9.
* debian/rules: Remove NO_LIBINT_ARCHS machinery.
-- Michael Banck <email address hidden> Sat, 30 Jan 2021 23:12:58 +0100
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cp2k (8.1-5) unstable; urgency=medium
* debian/control (Build-Depends): Revert changes from commit 76f7e1b4.
-- Michael Banck <email address hidden> Wed, 06 Jan 2021 15:24:59 +0100
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cp2k (8.1-4) unstable; urgency=medium
* debian/control (Build-Depends): Revert accidental local changes from last
upload.
-- Michael Banck <email address hidden> Wed, 06 Jan 2021 14:32:55 +0100
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cp2k (8.1-2) unstable; urgency=medium
* debian/patches/makeflags.patch: Readd -fallow-argument-mismatch to FCFLAGS
in order to fix build failures on 32bit architectures.
-- Michael Banck <email address hidden> Thu, 31 Dec 2020 18:26:09 +0100
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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.
-- Michael Banck <email address hidden> Thu, 31 Dec 2020 14:12:29 +0100
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cp2k (7.1-5) unstable; urgency=medium
* debian/rules (override_dh_auto_test): Do not run (broken) libint-based
tests on i386/armhf.
* debian/patches/python3.patch: Add additional fix for do_regtest.
* debian/rules (VERSION): Switch to psmp from popt.
* debian/regtest.config: Likewise.
-- Michael Banck <email address hidden> Sun, 15 Nov 2020 12:05:22 +0100
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cp2k (7.1-4) unstable; urgency=medium
* debian/control: Update description.
* debian/patches/dbcsr_gfortran10.patch, debian/patches/gfortran10.patch: New
patches fixing build failures with gfortran10, taken from upstream commits
58ee9709, 4b61cae1 and 4ac11055.
* debian/patches/makeflags.patch: Add -fallow-argument-mismatch to FCFLAGS
(Closes: #957101).
-- Michael Banck <email address hidden> Sun, 04 Oct 2020 12:38:10 +0200
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cp2k (7.1-3) unstable; urgency=medium
* Upload to unstable.
-- Michael Banck <email address hidden> Sat, 04 Jul 2020 18:53:46 +0200
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cp2k (6.1-3ubuntu2) focal; urgency=medium
* No-change rebuild for libgcc-s1 package name change.
-- Matthias Klose <email address hidden> Sun, 22 Mar 2020 16:36:49 +0100
