-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Format: 1.8 Date: Mon, 23 Sep 2013 11:39:02 +0200 Source: cp2k Binary: cp2k cp2k-data Architecture: source amd64 all Version: 2.4.0-1 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: 706608 Changes: cp2k (2.4.0-1) unstable; urgency=low . * New upstream release. + Fixes AMBER torsion energy (Closes: #706608) * New features include: + Resolution-of-the-identity RI-MP2 and RI-RPA energies + Non-local vDW corrections for XC functionals including B88-vDW, PBE-vDW and B97X-D + Various new XC functionals via LibXC support + Support for non-linear core corrected (NLCC) pseudopotentials + Adaptive QM/MM + Additional linear scaling algorithms and properties + ELPA parallel eigensolver support + Possibility of using image charges + Integrated basis set optimisation + PLUMED support . [ Daniel Leidert ] * debian/control (DM-Upload-Allowed): Dropped. (Standards-Version): Bumped to 3.9.4. (Vcs-Browser, Vcs-Svn): Fixed vcs-field-not-canonical. * debian/watch: Fixed. * debian/patches/fftw3_unaligned.patch: Dropped (applied upstream). * debian/patches/dftb_atom_input_dependence.patch: Ditto. * debian/patches/series: Adjusted. . [ Michael Banck ] * debian/rules (override_dh_auto_test): Update OMPI_MCA environment variable to orte_rsh_agent as the original plm_rsh_agent variable is deprecated. * debian/control (Build-Depends): Added libxc-dev. * debian/patches/makeflags.patch: Added support for libxc. * debian/rules (override_dh_auto_test): Added QS/regtest-libxc to testsuite directories. * debian/cp2k-data.install: Install all data files from tests/QS directory. * debian/patches/basis_set_error_631++Gxx.patch: Dropped (applied upstream). * debian/patches/gcc-4.8_fixes.patch: Likewise. * debian/cp2k.install: Moved documentation to ... * debian/cp2k-data.install: ... here. Checksums-Sha1: be2cd47e6a51cb4f1ea7b38affa50e0cc0c63b3c 1721 cp2k_2.4.0-1.dsc 7a715f052cddcb0b011fe49994c204044ac4a635 22907600 cp2k_2.4.0.orig-testresults.tar.bz2 c6a33849353026d011c5fc20581a93bfc841b688 50513610 cp2k_2.4.0.orig.tar.bz2 48d8f728ba7a4830735a53a85ff8603ba728a5c5 12644 cp2k_2.4.0-1.debian.tar.gz cc6256eebedbab1565920a9ad65ea7f52a41440d 9105152 cp2k_2.4.0-1_amd64.deb e2097757152cb59afb1541a861f3ee1d5f1f7743 17734804 cp2k-data_2.4.0-1_all.deb Checksums-Sha256: 5c570494021306534623a163c20a312ea2e7956887d5ed1a81882eeab5312c35 1721 cp2k_2.4.0-1.dsc 90e79244de9ac96d0040ffa40ee530af2f0bb5e0655cdcdfd23b3ff40ff2f630 22907600 cp2k_2.4.0.orig-testresults.tar.bz2 9208af877b0854456ec4b550d75d96bdff087406dfed8b38f95028a1f108392d 50513610 cp2k_2.4.0.orig.tar.bz2 509bc88588e929e0661519005486434211a5ef69c5cb1a2b4fba2369910d3082 12644 cp2k_2.4.0-1.debian.tar.gz ce2ca0efafb2e7ade53dea96f213fbf30040359a24348755fff41b700936d434 9105152 cp2k_2.4.0-1_amd64.deb 7ed02f36cf125f1e17a26120df1119db6a3c39060229d950f2f8866358586c31 17734804 cp2k-data_2.4.0-1_all.deb Files: b6dcaa6dc3991c86be5b5e50ed0027ec 1721 science optional cp2k_2.4.0-1.dsc 9013c812aa6260c08b605757ebeb75b0 22907600 science optional cp2k_2.4.0.orig-testresults.tar.bz2 0357cdc792e03cf5e1262441288bb93c 50513610 science optional cp2k_2.4.0.orig.tar.bz2 c9bc8b0d8bdf84d5617f7c3e5558738c 12644 science optional cp2k_2.4.0-1.debian.tar.gz 31c8d6c14bda32d0d1789b8129b248d3 9105152 science optional cp2k_2.4.0-1_amd64.deb 1879ba892baddc81b255aa7f32839638 17734804 science optional cp2k-data_2.4.0-1_all.deb -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) iEYEARECAAYFAlJAbNUACgkQmHaJYZ7RAb9MOQCgpGUWU6s0lvpfaY7QhA/vqBtF mpUAn21RqDBJUfsc3seoxbwL5Y2ihntl =8Pkx -----END PGP SIGNATURE-----