[Debichem-devel] espresso_6.6-1_source.changes ACCEPTED into unstable

[Debian FTP Masters]

Accepted:

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Hash: SHA256

Format: 1.8
Date: Mon, 04 Jan 2021 21:28:44 +0100
Source: espresso
Architecture: source
Version: 6.6-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck at debian.org>
Changes:
 espresso (6.6-1) unstable; urgency=medium
 .
   * New upstream release, new features include:
    + vdW-DF3-opt1, vdW-DF3-opt2, and vdW-DF-C6 van der Waals functionals
    + Stress for noncolinear case
    + ParO and PPCG iterative diagonalization algorithms
    + Fourier interpolation of phonon potential
    + Extension of the PW code to DFT+U+V
    + Extension of the HP code to compute also inter-site Hubbard V parameters
    + Extension of the XSpectra code to work on top of DFT+U+V
    + Extension of Hubbard forces and stress to ortho-atomic orbitals
    + Support for BEEF-vdW XC
    + Phonon-induced electron self-energy implemented in ph.x and a new
      post-processing program PHonon/postahc.x added
    + Implementation of the Sternheimer algorithm in the turboEELS code
    + EPW: Use of the band manifold determined by Wannierization step when
      evaluating electron-phonon vertex on coarse grids
    + EPW: Support for PAW
   * debian/patches/disable_pseudo_download.patch: Refreshed.
   * debian/patches/fix-911763.patch: Likewise.
   * debian/patches/install_bindir.patch: Likewise.
   * debian/patches/make-install-PHONY.patch: Likewise.
   * debian/patches/pseudopotential_dir.patch: Likewise.
   * debian/patches/configure_fix_ppc64_define.patch: Removed, no longer needed.
   * debian/patches/testsuite_python3.patch: Likewise.
   * debian/pseudo/B.pbe-n-kjpaw_psl.1.0.0.UPF,B.pbe-n-kjpaw_psl.0.1.UPF,
     B.pbe-n-rrkjus_psl.1.0.0.UPF,B.pz-vbc.UPF,
     Co.pbesol-spn-rrkjus_psl.0.3.1.UPF,Cr.pbe-spn-kjpaw_psl.1.0.0.UPF,
     Fe.pbe-spn-rrkjus_psl.0.2.1.UPF,Fe.pbesol-spn-kjpaw_psl.1.0.0.UPF,
     Fe.rel-pbe-spn-rrkjus_psl.0.2.1.UPF,I.pbe-n-kjpaw_psl.1.0.0.UPF,
     Li.pbesol-s-kjpaw_psl.0.2.1.UPF,Li.pbesol-s-rrkjus_psl.0.2.1.UPF,
     Mg.pz-n-vbc.UPF,N.pbe-n-kjpaw_psl.0.1.UPF,N.pbe-n-kjpaw_psl.1.0.0.UPF,
     N.pbe-n-rrkjus_psl.1.0.0.UPF,Ni.pbe-spn-kjpaw_psl.1.0.0.UPF,
     Ni.pbesol-n-kjpaw_psl.0.1.UPF,Ni.pbesol-n-rrkjus_psl.0.1.UPF
     O.pbesol-n-kjpaw_psl.0.1.UPF,O.pbesol-n-rrkjus_psl.0.1.UPF,
     Si.pbe-nl-rrkjus_psl.1.0.0.UPF: New files, pseudopotentials needed for new
     test cases.
   * debian/patches/system_libwannier90.patch: New patch, forces usage of the
     system-installed libwannier90.
   * debian/rules (override_dh_auto_build-arch): Also build epw target.
   * debian/rules (override_dh_auto_test): Add -k option to make in order to
     continue on failed tests.
Checksums-Sha1:
 4e9d4cf80ad0a3592fbdfafba9a5907e900b94a2 2157 espresso_6.6-1.dsc
 038b21ba44c8d8fdb809948184c5611280974d7b 77129279 espresso_6.6.orig.tar.gz
 f01ebb9622da0e7929af974fca4e7b0e14962d22 11122036 espresso_6.6-1.debian.tar.xz
 56dcd13e822978ed4e97d26acf0cb83b2c4663d8 6857 espresso_6.6-1_source.buildinfo
Checksums-Sha256:
 991df912dc05c588d37d82404876283a32ad375506725c052c23f9ff90fee365 2157 espresso_6.6-1.dsc
 924656cb083f52e5d2fe71ade05881389dac64b45316f1bdd6dee1c6170a672c 77129279 espresso_6.6.orig.tar.gz
 57f07ef4e52b61e0984b966dff8b682e303cc0666990b48f1624a42943f69a17 11122036 espresso_6.6-1.debian.tar.xz
 14ac9199e8d791649acebf68adfdac12197d6bf9fcbe9a568ab2ac6d367f927b 6857 espresso_6.6-1_source.buildinfo
Files:
 988657e68c69ffce89cae4172c1ebbac 2157 science optional espresso_6.6-1.dsc
 53d385e32d9e02fb012b5adab0f56acc 77129279 science optional espresso_6.6.orig.tar.gz
 4557e75c48d1e070d63d48e44f6f3d56 11122036 science optional espresso_6.6-1.debian.tar.xz
 ffa6dfe4180aae1be082e5e0b26f0b4a 6857 science optional espresso_6.6-1_source.buildinfo

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