* New upstream release. * Fixes anisotropic properties (Closes: #696361). * New features include: + Multi-reference coupled cluster (MRCC) approaches + Hybrid DFT calculations with short-range HF + New density-functionals including Minnesota (M08, M11) and HSE hybrid functionals + X-ray absorption spectroscopy (XAS) with TDDFT + Analytical gradients for the COSMO solvation model + Transition densities from TDDFT + DFT+U and Electron-Transfer (ET) methods for plane wave calculations + Exploitation of space group symmetry in plane wave geometry optimizations + Local density of states (LDOS) collective variable added to Metadynamics + Various new XC functionals added for plane wave calculations, including hybrid and range-corrected ones + Electric field gradients with relativistic corrections + Nudged Elastic Band optimization method + Updated basis sets and ECPs
[ Daniel Leidert ] * debian/watch: Fixed.
[ Andreas Tille ] * debian/upstream: References
[ Michael Banck ] * debian/upstream (Name): New field. * debian/patches/02_makefile_flags.patch: Refreshed. * debian/patches/06_statfs_kfreebsd.patch: Likewise. * debian/patches/07_ga_target_force_linux.patch: Likewise. * debian/patches/05_avoid_inline_assembler.patch: Removed, no longer needed. * debian/patches/09_backported_6.1.1_fixes.patch: Likewise. * debian/control (Build-Depends): Added gfortran-4.7 and gcc-4.7. * debian/patches/10_force_gcc-4.7.patch: New patch, explicitly sets gfortran-4.7 and gcc-4.7, fixes test suite hang with gcc-4.8 (Closes: #701328, #713262). * debian/testsuite: Added tests for COSMO analytical gradients and MRCC. * debian/rules (MRCC_METHODS): New variable, required to enable MRCC methods.