Accepted cp2k 2.3.0-1 (source amd64 all)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Format: 1.8
Date: Fri, 05 Jul 2013 14:00:40 +0200
Source: cp2k
Binary: cp2k cp2k-data
Architecture: source amd64 all
Version: 2.3.0-1
Distribution: unstable
Urgency: low
Maintainer: Michael Banck <mbanck@debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
cp2k - Ab Initio Molecular Dynamics
cp2k-data - Ab Initio Molecular Dynamics (data files)
Closes: 701263
Changes:
cp2k (2.3.0-1) unstable; urgency=low
.
* New upstream release. New features include:
+ MP2 energies
+ Double-hybrid XC functionals including B2PLYP and B2GPPLYP
+ Self-Consistent-Polarization Tight-Binding (SCP-TB) method
+ Periodic Restrained Electrostatic Potential (RESP) charge fitting
+ Slater-type orbitals in the atomic code
+ Electron Localization Functions (ELF)
* debian/patches/fortran_continuing_lines.patch: Refreshed.
* debian/patches/reset_cppflags_makdepf90.patch: Likewise.
* debian/control (Description): Updated.
* debian/patches/makeflags.patch: Undefine CPP variable (Closes: #701263).
* debian/patches/gcc-4.8_fixes.patch: New patch, fixes a build failure with
gfortran-4.8, taken from upstream revision 12562.
* debian/rules (override_dh_auto_test): Select less expensive tests where
applicable and include some more tests for wider coverage.
* debian/cp2k-data.install: Added tests/QS/t_sh_p_s_c.dat.
* debian/control (Build-Depends): Added bc, used to calculate runtimes in the
testsuite.
Checksums-Sha1:
cac04126fe27c275fd39dd18b578b458d0f9d86f 1727 cp2k_2.3.0-1.dsc
2387de8cd633da28e97c4d93b8d1293eb9ab8848 19258621 cp2k_2.3.0.orig-testresults.tar.bz2
9d1b9b1fb075317f7859a441ea5793e0cd158dd7 40903091 cp2k_2.3.0.orig.tar.bz2
7f18385a0aa815077c1b8b5363c9a25ecadfea94 15532 cp2k_2.3.0-1.debian.tar.gz
2bb39c342fba5d8f3ccdab2bfd0e6269b378752b 12658110 cp2k_2.3.0-1_amd64.deb
3384d2b29bca4219d5b14520bfca5e611f9f3556 15051942 cp2k-data_2.3.0-1_all.deb
Checksums-Sha256:
7896ec3543b8789f73e8b44c51065ccfcb685eb8cf59a8df49b2189cdf38c131 1727 cp2k_2.3.0-1.dsc
486a54c8577261816410115565c244eaed68a70bc6377fb057f0fc51a49999dc 19258621 cp2k_2.3.0.orig-testresults.tar.bz2
f7d167019cacb27d71961c1fe5f48890df2a517a630a3a91ef97f13d65947887 40903091 cp2k_2.3.0.orig.tar.bz2
6fffbdd8da63006166fa1e802c8e46e0661b0f84dbffd035d267f77b2c5ae72b 15532 cp2k_2.3.0-1.debian.tar.gz
245405915a1d15701df2a7cb41fd23fbf1662a3b0e06e79c398b1e3f980afd90 12658110 cp2k_2.3.0-1_amd64.deb
0bc2e973cb1912d41ea3a883713509662e621569e665b988e7ef0214ff0e4244 15051942 cp2k-data_2.3.0-1_all.deb
Files:
4b07b0e8cefbf034ff9bf0adb4e05fd5 1727 science optional cp2k_2.3.0-1.dsc
378b28bb11f46d962cf083f6020a899c 19258621 science optional cp2k_2.3.0.orig-testresults.tar.bz2
4e85f42d652d85753c11adaff59f0566 40903091 science optional cp2k_2.3.0.orig.tar.bz2
5cb59c2dd2c5453dac77a754e165722b 15532 science optional cp2k_2.3.0-1.debian.tar.gz
0ea3f73fc539bc1fa4c93ea83f48b40f 12658110 science optional cp2k_2.3.0-1_amd64.deb
04ab9c1af288565c18faec680ff5b3c2 15051942 science optional cp2k-data_2.3.0-1_all.deb
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.12 (GNU/Linux)
iEYEARECAAYFAlHWwZsACgkQmHaJYZ7RAb9YdQCeIEjnrzLN4Gryq0oJTpGw2iO0
NzEAnA0ve9/A64YRMO/gHNYaKDgNr5CW
=mN6K
-----END PGP SIGNATURE-----