-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Format: 1.8 Date: Sat, 01 Mar 2014 17:17:41 +0100 Source: cp2k Binary: cp2k cp2k-data Architecture: source amd64 all Version: 2.5.0-1 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) Changes: cp2k (2.5.0-1) unstable; urgency=low . * New upstream release, new features include: + MP2 and RI-MP2 gradients + Absolutely Localized Molecular Orbitals SCF (ALMO-SCF) energies for linear scaling of molecular systems + Global optimization of geometries + Tree Monte Carlo: additional parallelism in MC + Post-SCF linear response, including Raman + Relativistic corrections for atomic blocks + Integrated molecular basis set optimization + RI-MP2 auxiliary basis optimization . [ Michael Banck ] * debian/control (Description): Overhauled. * debian/cp2k-data.install: Added NLCC_POTENTIALS data file. * debian/upstream: Updated citation reference and Repository-Browse URL. * debian/patches/testsuite_output.patch: Refreshed. * debian/cp2k.examples: Updated for moved regtest. * debian/cp2k.docs: Removed, the tutorials were moved to the website. * debian/rules (override_dh_auto_clean, override_dh_auto_build): Directory "web/manual" got renamed to "tools/manual", rename acoordingly. Also drop the javascript-enabled version of the manual, as the respective .xsl file no longer exists (or rather, the javascript version is now the standard). * debian/cp2k-data.install: Likewise. * debian/rules (override_dh_auto_test): do_regtest has been moved to tools/regtesting, rename accordingly. * debian/regtest.config: Likewise. * debian/regtest.config: New variables "quick", "nobuild" and "nosvn". * debian/rules (override_dh_auto_test): Remove -quick option from command-line. * debian/patches/makefile_linking.patch: New patch, adds required internal and external libraries to fes linking command-line. * debian/patches/makeflags.patch: Removed OBJECTS_ARCHITECTURE variable, as it is on longer used by the code. * debian/control (Description): Updated for new 2.5.0 features. * debian/rules (override_dh_auto_test): Replaced several regtest directories with similar, but quicker to run, directories. Also add several more regtest directories. * debian/patches/fortran_continuing_lines.patch: Removed, no longer needed. * debian/patches/subversion_branch.patch: New patch, adds revisions from upstream cp2k-2_5-branch: r13644. Checksums-Sha1: f9838d34d86dc7ab78ee14e1b30d51c09d367cbd 1721 cp2k_2.5.0-1.dsc 71e98c69a8d0566f651db4aea8fab1047d78b20b 23196221 cp2k_2.5.0.orig-testresults.tar.bz2 64db65d8cc079894a8753a52a8a77b7202809f0e 49087051 cp2k_2.5.0.orig.tar.bz2 db5df4c6cfc3125cb068ee45a815c7ca23802551 12512 cp2k_2.5.0-1.debian.tar.xz d4eaaf3445acc00ff8dfcf696b56bc23e595023b 9736162 cp2k_2.5.0-1_amd64.deb e51a367266f7e29413fbbf58cfe824c30486416e 17563122 cp2k-data_2.5.0-1_all.deb Checksums-Sha256: 6c9aebf5805f9bd1a8e2858e7ca9eac854e109364704175ec67c8970b0daa431 1721 cp2k_2.5.0-1.dsc 4a086bade7d6cd82fc77737ee8e651dd810a29dede4c15438cf1abf9b827a65e 23196221 cp2k_2.5.0.orig-testresults.tar.bz2 2b53e90c35dd64d30f63f9eecd3aed5a705746b10ac5d1967861cd9f97440535 49087051 cp2k_2.5.0.orig.tar.bz2 e4d7206046391136b249ce3ed256c6e98930ea62aa6a1b165fe06e2e65bc96b7 12512 cp2k_2.5.0-1.debian.tar.xz b1d526405c43cfad7a57f5df8db6e9dbc29730bb23433216a955898188fcf116 9736162 cp2k_2.5.0-1_amd64.deb e632a2a9b8a9267e853876f7389fff41170ac1b8ffc5a75ebc9f41c86972a2d2 17563122 cp2k-data_2.5.0-1_all.deb Files: 357f72a5edc56803f4ce4a713f03836f 1721 science optional cp2k_2.5.0-1.dsc 49e213725c9cb77454fdf3360eee050f 23196221 science optional cp2k_2.5.0.orig-testresults.tar.bz2 16e90e0994593544912e1d211ccce002 49087051 science optional cp2k_2.5.0.orig.tar.bz2 8a2886a0a0cc58571bb4e67dada066e8 12512 science optional cp2k_2.5.0-1.debian.tar.xz 66cbc61a4ba939fb667131664b51a78d 9736162 science optional cp2k_2.5.0-1_amd64.deb 33ddb78b4c0f0f461c77e79701f159fe 17563122 science optional cp2k-data_2.5.0-1_all.deb -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) iEYEARECAAYFAlMSGYMACgkQmHaJYZ7RAb/e2wCgppNcfK1ZwSsVaQ8Tt3MnP/dQ P38AnR5htc8w7SFkIgSvD817/pmYlCt7 =QalI -----END PGP SIGNATURE-----