Accepted espresso 6.6-1 (source) into unstable
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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@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@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.
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038b21ba44c8d8fdb809948184c5611280974d7b 77129279 espresso_6.6.orig.tar.gz
f01ebb9622da0e7929af974fca4e7b0e14962d22 11122036 espresso_6.6-1.debian.tar.xz
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Checksums-Sha256:
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Files:
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53d385e32d9e02fb012b5adab0f56acc 77129279 science optional espresso_6.6.orig.tar.gz
4557e75c48d1e070d63d48e44f6f3d56 11122036 science optional espresso_6.6-1.debian.tar.xz
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