Format: 1.8
Date: Sun, 29 May 2016 19:47:06 +0200
Source: espresso
Binary: quantum-espresso quantum-espresso-data
Architecture: s390x
Version: 5.4.0+dfsg-1
Distribution: yakkety-proposed
Urgency: medium
Maintainer: Launchpad Build Daemon <buildd@z13-011.buildd>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
 quantum-espresso - Electronic-Structure and Ab-Initio Molecular Dynamics Suite
 quantum-espresso-data - Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Docu
Changes:
 espresso (5.4.0+dfsg-1) unstable; urgency=medium
 .
   * New upstream release. New features since 5.1 include:
    + Goedecker-Hutter-Teter pseudopotentials directy supported in analytical
      form
    + Hybrid functionals with reduced cutoff for Vx\psi now work also with
      k-points and for stress calculation
    + Real-space treatment of augmentation charges in USPP and PAW can
      be used in (fixed-cell) structural relaxation as well
    + Hybrid functionals for USPP now working
    + Improved ESM, works also for NEB and with postprocessing codes;
      constant-bias potential (constant-mu) calculations implemented
    + Calculation of Electron Energy Loss and Inelastic X-ray Scattering Spectra
    + X3LYP and B3LYP hybrid functionals
    + Calculation of the Magnetic anisotropy energy is implemented (in the limit
      of small spin-orbit coupling) using the Force theorem
    + Bethe-Salpeter equation added to GWL
    + Phonons with vdw-DF and with DFT-D2
   * debian/patches/testsuite_pseudopotentials.patch: Updated.
   * debian/patches/testsuite_ignore_errors.patch: Removed, no longer needed.
   * debian/patches/testsuite_skip_vdw_tests.patch: Likewise.
   * debian/patches/testsuite_echo_cp_subtests.patch: Likewise.
   * debian/patches/makefile_clean.patch: Updated.
   * debian/patches/pseudopotential_dir.patch: Refreshed.
   * debian/patches/elpa3_support.patch: New patch, adds support for
     ELPA-2015.11 interface.
   * debian/patches/configure_elpa_lib.patch: New patch, overrides ELPA library
     link line.
   * debian/rules (override_dh_auto_test): Updated for new test suite.
   * debian/rules (override_dh_auto_clean): Make failures of dh_auto_clean
     non-fatal.
   * debian/rules (override_dh_auto_configure): New target add support for ELPA
     to configure.
   * debian/control (Build-Depends): Added libelpa-dev.
   * debian/rules (override_dh_auto_clean): Remove python bytecode from new test
     suite.
   * debian/rules (override_dh_auto_clean): Remove configure.h as well.
   * debian/patches/series: Disabled fftw_i386_unaligned.patch for now.
   * debian/patches/install_bindir.patch: New patch, sets /usr/bin as
     installation directory.
   * debian/quantum-espresso.install: Install all binaries to /usr/bin.
   * debian/rules (override_dh_auto_clean): Remove libcg.a as well.
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Files:
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