-----BEGIN PGP SIGNED MESSAGE-----
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.
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
-----BEGIN PGP SIGNATURE-----
iQIzBAEBCAAdFiEEnKh3dJ+rLk+paGLs3GhqJ7Q0gbAFAl/zexEACgkQ3GhqJ7Q0
gbDCjxAAj1IYT92FcZ/e/REFwRe67uqj95DRUMiODytnim/Y5AaYWGU9s2eXPU7M
0l4GrbN+USOhQi3VZsNdQr2tNQywAM71vXCQczW1CkXo5+lurPN9CK90HoY+IC5w
RCZyV9B67aZAODb1V4V6u2o22MuNm/BV55u8CnGkV5ta5RWJEGS8cazk/kE+PHnO
C44HV4d4/lHunQc5zvUyA+tTFdEczlUKgJ2+4+Ei3+e/paG4tzreguExIkPWZagu
8DVXpt9YXAbEk421gwrbKumxRKOcZQL8lGEGQq+MQ6IwTQWQ/Rlp5d/PuXnrvmrN
z6cAhdMWinqxd3/ZYIxLjYvhVusQ3kJRvshLWn8BxRyUkW2oMJOJV6caRDoUkbZZ
vFToGJehzbhFmx6P8CHf72Q6wlMzO47Gj4M9wlaMnjhc21jD0brBpH95V8nA4CQ+
owCj7tP2gZX+SCftbekC43xbm2sUzPkb1vMsGLhTzh87wPT6p81IL6UDEdNXV6jC
6hnuF0+wGQ+QUp4rFumarCITqFq/LPHN66JHMs1Xvz54DYCuL6vntn/k1fTOL1nu
irwm9jmwp5zS6FY26v4s5w4IC1LVbZ544KmE/E9kT9axvVM5TgVgDhmcSAPzIXeP
zW3JHZoHwbeDcu4tkOmO4P6Zym1k3eAfP2FCSfb4ugLedc9g/ck=
=0WW1
-----END PGP SIGNATURE-----
