[Debichem-devel] cp2k_2024.1-1_source.changes ACCEPTED into unstable

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Accepted:

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Hash: SHA256

Format: 1.8
Date: Sun, 19 Jan 2025 10:44:49 +0100
Source: cp2k
Architecture: source
Version: 2024.1-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck at debian.org>
Changes:
 cp2k (2024.1-1) unstable; urgency=medium
 .
   * New upstream release, new features include:
     + TDDFPT: Pseudopotentials, GAPW, GPW, and forces
     + RI-HFX for K-points (with gradients and ADMM)
     + Long-range quantum computing (WF) in short-range DFT embedding
     + Active space: Implement ERI calculation using half-transformed integrals
     + GW: open-shell periodic GW
     + G0W0/SOC: bandstructure, PDOS, local bandgap, periodic
     + NNP: Helium-Solute for interaction
     + Time-dependent Field for EMD
   * debian/patches/makeflags.patch: Move MPI build flags to debian/rules as
     LIB_MPI variable.
   * debian/patches/makeflags.patch: Move Elpa build flags to ...
   * debian/rules: ... here.
   * debian/control (Build-Depends): Added python3-lxml, python3-myst-parser and
     python3-sphinx-rtd-theme.
   * debian/rules (override_dh_auto_clean, override_dh_auto_build): Update
     manual build to be in docs/ not tools/manual/.
   * debian/cp2k-data.install: Likewise.
   * debian/rules (override_dh_auto_test): Temporarily remove the
     QS/regtest-epr-2, QS/regtest-lsroks, QS/regtest-nmr-2 and TAMC/regtest
     directories due to testsuite failures.
Checksums-Sha1:
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 a8c0eb8c824a73552152fbcc70e7074a6c093baf 83383775 cp2k_2024.1.orig.tar.gz
 007f161f4c37a7881bda73f100e72001234fdeb9 27320 cp2k_2024.1-1.debian.tar.xz
 6d62e8e559f5895eb3d8f83feb45cab3d6f55061 9376 cp2k_2024.1-1_source.buildinfo
Checksums-Sha256:
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 571cb91db3251aafe5931d88fa0bb075507fe542a21372e26cc1b2cc1c51e2d0 83383775 cp2k_2024.1.orig.tar.gz
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Files:
 03f114c4539443210d6cc9b18698b2aa 2320 science optional cp2k_2024.1-1.dsc
 45ae097c443786fa1e17587cdf819ca7 83383775 science optional cp2k_2024.1.orig.tar.gz
 d58441ac5a846d75745ab7f8272c691c 27320 science optional cp2k_2024.1-1.debian.tar.xz
 500add6a57de2c366d6966f73aa587ab 9376 science optional cp2k_2024.1-1_source.buildinfo

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