[Debichem-devel] espresso_5.4.0+dfsg-1_source.changes ACCEPTED into unstable

Debian FTP Masters ftpmaster at ftp-master.debian.org
Sun May 29 19:52:01 UTC 2016 


Accepted:

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Hash: SHA1

Format: 1.8
Date: Sun, 29 May 2016 19:47:06 +0200
Source: espresso
Binary: quantum-espresso quantum-espresso-data
Architecture: source
Version: 5.4.0+dfsg-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck at 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.
Checksums-Sha1:
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 0e9e6d8f87995a211dc6c72ac3331b22a8d0e454 3240430 espresso_5.4.0+dfsg.orig-EPW.tar.gz
 dae0e73437fe7dc36811b2df0b85b44e7a26bb1c 493848 espresso_5.4.0+dfsg.orig-GWW.tar.gz
 e2216f764af48e3ec84a99a2950886eab4aedc21 353250 espresso_5.4.0+dfsg.orig-NEB.tar.gz
 5e3fb2149d83c90835be8467ad7a833b364c0a12 2060561 espresso_5.4.0+dfsg.orig-PHonon.tar.gz
 443214bd9311cca86276c68c663561b5b08a20d3 207343 espresso_5.4.0+dfsg.orig-PWCOND.tar.gz
 e68854aefcae00ce48bf7a9687ec7885ed72a184 45980 espresso_5.4.0+dfsg.orig-PlotPhon.tar.gz
 93a9fa9f3fce0e57b2fc9ece38f845705108818b 79080 espresso_5.4.0+dfsg.orig-QHA.tar.gz
 f70fdb45c70579c52ec420a7a76d884075a82dc4 10519193 espresso_5.4.0+dfsg.orig-TDDFPT.tar.gz
 42a37438e4c482bb47944084e809ff8ca65ed63e 3702295 espresso_5.4.0+dfsg.orig-XSpectra.tar.gz
 e85f4174f9183ef88e1abac01f795b2c6f455939 2414214 espresso_5.4.0+dfsg.orig-atomic.tar.gz
 7ab29834af8869a69537b4a47086cbcd20339b76 753324 espresso_5.4.0+dfsg.orig-test-suite.tar.gz
 d0b6139ffa4af426536f327461c5d55ef8b3a1e8 14769165 espresso_5.4.0+dfsg.orig.tar.gz
 6638171a94e9408d8e38834aabf6d65b9576d34b 8772712 espresso_5.4.0+dfsg-1.debian.tar.xz
Checksums-Sha256:
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 a2b7c6f40b1293b1b9e7297be6319ebbd1fd51d845957df6af1633e64ad31f0f 3240430 espresso_5.4.0+dfsg.orig-EPW.tar.gz
 c82a41e7655ab8062f5de05ef48d993440ee8a652e8e43ac94ad9e362d4b4be7 493848 espresso_5.4.0+dfsg.orig-GWW.tar.gz
 16fb9393fd9ceb8568abe01bc70e292d040fc0d34c7d4d64ca91a7cf46924da4 353250 espresso_5.4.0+dfsg.orig-NEB.tar.gz
 0cbac1e3321db9b986b8cfe916950a5613469d5e01f59a27410b854dc465d914 2060561 espresso_5.4.0+dfsg.orig-PHonon.tar.gz
 1d54cef6ddb97d3e852093ed6d5e1fe4aa401e7ad2930569172084578de71c9a 207343 espresso_5.4.0+dfsg.orig-PWCOND.tar.gz
 8112db89f941d00b556c36f3be209ac9aa96b1ed06006bad3a17fb7361f53afe 45980 espresso_5.4.0+dfsg.orig-PlotPhon.tar.gz
 5828f09f2a0795a6ad9be3e481480151d3452ece9f4d4d3c0d4884f4df84a25e 79080 espresso_5.4.0+dfsg.orig-QHA.tar.gz
 e4ecd72874667b2450004ac2060459d42f8bb887ecea0eab9a992844c7f5d86e 10519193 espresso_5.4.0+dfsg.orig-TDDFPT.tar.gz
 37eb0e6ac5905dad6697b153812a846db054c4f09f7c32828fe28cc1465f5de8 3702295 espresso_5.4.0+dfsg.orig-XSpectra.tar.gz
 90167369d704d670c393d3798db9ecd8e220343206e17df30e220c4f643e15ab 2414214 espresso_5.4.0+dfsg.orig-atomic.tar.gz
 fd8785341b2e9fe7ec2fd215a92390cb9dabad0f7c1c9bb84a6a3cc564f19d26 753324 espresso_5.4.0+dfsg.orig-test-suite.tar.gz
 48ef8cec7064cdb34441d4f8cbf4eeaffa77ee4f0b67de6ee5c9a15a08df0517 14769165 espresso_5.4.0+dfsg.orig.tar.gz
 dfa535c2151baaef2615ba50d7c9cc3cdfbfc716156ecd34e670f5bcebb5fa4a 8772712 espresso_5.4.0+dfsg-1.debian.tar.xz
Files:
 0b203b96d4720bc8260da55202d8af23 5333 science optional espresso_5.4.0+dfsg-1.dsc
 08d7490e00c5bf398ceb5a39275e6676 3240430 science optional espresso_5.4.0+dfsg.orig-EPW.tar.gz
 b19d777109867578706a6a33feb2fdb8 493848 science optional espresso_5.4.0+dfsg.orig-GWW.tar.gz
 254f929259fb06036b78c493cf18e5d6 353250 science optional espresso_5.4.0+dfsg.orig-NEB.tar.gz
 dd98430c233f8c5e92a781bfbdc421d2 2060561 science optional espresso_5.4.0+dfsg.orig-PHonon.tar.gz
 31c1cd8cd76752833a9205d456093d0a 207343 science optional espresso_5.4.0+dfsg.orig-PWCOND.tar.gz
 c631ed5884629905aec2b1fa65b1cd57 45980 science optional espresso_5.4.0+dfsg.orig-PlotPhon.tar.gz
 ae313108387fa241dd2b99afb6f09ecf 79080 science optional espresso_5.4.0+dfsg.orig-QHA.tar.gz
 9d013b9bbdbe59d273ccec958cdd2efa 10519193 science optional espresso_5.4.0+dfsg.orig-TDDFPT.tar.gz
 95080929c87389cd15cf765048cfc9d2 3702295 science optional espresso_5.4.0+dfsg.orig-XSpectra.tar.gz
 24dc0d8bf5cf4eb4dc38e1c18a80b3ee 2414214 science optional espresso_5.4.0+dfsg.orig-atomic.tar.gz
 850ce90cf6b4c5f78bb57c02c88a734d 753324 science optional espresso_5.4.0+dfsg.orig-test-suite.tar.gz
 f1414df70dc82e3fca71ab2c3dfe59d8 14769165 science optional espresso_5.4.0+dfsg.orig.tar.gz
 68b7d16ba2101ee8b6bdf1688bef2155 8772712 science optional espresso_5.4.0+dfsg-1.debian.tar.xz

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