Format: 1.8
Date: Sun, 30 Oct 2022 16:44:54 +0100
Source: cp2k
Binary: cp2k cp2k-data
Built-For-Profiles: noudeb
Architecture: all amd64
Version: 2022.2-1
Distribution: lunar-proposed
Urgency: medium
Maintainer: Launchpad Build Daemon <buildd@lcy02-amd64-079.buildd>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
 cp2k       - Ab Initio Molecular Dynamics
 cp2k-data  - Ab Initio Molecular Dynamics (data files)
Changes:
 cp2k (2022.2-1) unstable; urgency=medium
 .
   * New upstream release, new features include:
     + HIP support for PW
     + K-points for the GW self-energy
     + GAPW Voronoi integration
     + Improve support for metaGGA functionals
     + State following using transition charge finger print in TDDFT
     + Barostat for frozen atoms in absolute coordinate
     + Low-scaling SOS-Laplace MP2 forces
     + RPA low-scaling gradients
     + CDFT forces based on Hirshfeld partitioning
     + GW 4-center Hartree-Fock and ADMM for exchange self-energy
     + Partially occupied Wannier states
     + GAPW_XC for TDDFPT energies
     + LibXC equivalents to ADMM exchange potentials
     + Print vibrational modes for Newton-X
     + Migrate tensor operations to new sparse matrix library DBM
Checksums-Sha1:
 57975e3c9da657a63cfd6492f065b91015adcbf8 19391352 cp2k-data_2022.2-1_all.deb
 1543e1169aa87cf6ac3adba9570bf9ff48ba2b00 38090368 cp2k-dbgsym_2022.2-1_amd64.ddeb
 5f28d038b58c62585e5430d8d45de1280340fbdb 11261 cp2k_2022.2-1_amd64.buildinfo
 5c3e8740f4859b376244260922fa6bd83027e0db 17529352 cp2k_2022.2-1_amd64.deb
Checksums-Sha256:
 101a7dda508dea1e035e4bd88570cebfd0bdcd57a29c7d8d7168cd1ad7522f0e 19391352 cp2k-data_2022.2-1_all.deb
 2d928b50994ff6ef5fe91656af2af42a5537c083ed230201b0f205252dfdfa0c 38090368 cp2k-dbgsym_2022.2-1_amd64.ddeb
 03a717ea3a2cfb745a5bf0212d1659d2b1692eb1eca2ff5e337e08053aca69b2 11261 cp2k_2022.2-1_amd64.buildinfo
 bbeb60bbd7b2cd905fb0cc1acf164fca8ed6fa07e38b04f03bba3cdd19aa0e43 17529352 cp2k_2022.2-1_amd64.deb
Files:
 4268d546a09ff80e23f2887365932e2c 19391352 science optional cp2k-data_2022.2-1_all.deb
 a418909f2794ae5d3c774c3384c441e4 38090368 debug optional cp2k-dbgsym_2022.2-1_amd64.ddeb
 8afb9f152a5b2aaf2b483abddff6a596 11261 science optional cp2k_2022.2-1_amd64.buildinfo
 074ca132872a96558047f170ec617418 17529352 science optional cp2k_2022.2-1_amd64.deb