------------------------------------------------------------------- Mon Jan 2 15:23:48 UTC 2023 - Christoph Junghans - don't use mpi gromacs on ix86 ------------------------------------------------------------------- Wed Dec 21 22:25:15 UTC 2022 - Christoph Junghans - Update to 2022.1 - fix PROJECT_VERSION in subdirs ([gh#votca/votca#951]) - make csg_resample and csg_stat spacing consistent ([gh#votca/votca#956]) - fix build on FreeBSD ([gh#votca/votca#959]) - update CI container names ([gh#votca/votca#961]) - Fix gw quadrature scheme ([gh#votca/votca#967]) - update install guide for spack ([gh#votca/votca#972], [gh#votca/votca#974]) - drop gmx-2021 builds from CI ([gh#votca/votca#976]) - update syntax for cmake 3.23 ([gh#votca/votca#978]) - fix CI build on Ubuntu ([gh#votca/votca#981]) - fix CI builds with icpx ([gh#votca/votca#984], [gh#votca/votca#1004]) - fix CI builds with ESPResSo 4.2.0 ([gh#votca/votca#993]) - fix localization issue ([gh#votca/votca#998], [gh#votca/votca#1000]) - update github actions to new versions ([gh#votca/votca#1007], [gh#votca/votca#1013]) ------------------------------------------------------------------- Thu Dec 15 11:49:02 UTC 2022 - Guillaume GARDET - Disable gromacs on 32-bit arm since it is missing - Do not requires libint when xtp is disabled ------------------------------------------------------------------- Wed Dec 7 06:21:38 UTC 2022 - Stefan Brüns - Adjust constraints to avoid rejecting too many workers, enable parallel builds with limit_build. - Clean up specfile, remove obsolete __DATE__ mangling. ------------------------------------------------------------------- Fri Jul 29 05:23:54 UTC 2022 - Christoph Junghans - only use python3-epressomd for testing on x86_64 ------------------------------------------------------------------- Sun Jan 16 01:10:58 UTC 2022 - Christoph Junghans - Update to 2022 - fix some icpc warnings ([gh#votca/votca#934]) - only check for pytest if testing is enabled ([gh#votca/votca#930]) - exclude some builds from CI ([gh#votca/votca#940], [gh#votca/votca#942], [gh#votca/votca#944], [gh#votca/votca#945]) - update interface documentation ([gh#votca/votca#939]) - update install guide for binary packages ([gh#votca/votca#936]) - fixed sigma plot options passing ([gh#votca/votca#943]) ------------------------------------------------------------------- Sun Dec 19 22:37:10 UTC 2021 - Christoph Junghans - Also obsoletes votca-csg-apps ------------------------------------------------------------------- Thu Dec 16 03:53:04 UTC 2021 - Christoph Junghans - Update to 2022-rc.2 - fix iqm merge orbitals command ([gh#votca/votca#907]) - fix bug in basisset serialization that caused wrong Vxc values in GW ([gh#votca/votca#910]) - update performance compilation info ([gh#votca/votca#911]) - license for monorepo and all license files rst -> plain text ([gh#votca/votca#912], [gh#votca/votca#913]) - use python3 in xtp-tutorials ([gh#votca/votca#917]) - bump required boost version to 1.71 ([gh#votca/votca#915], [gh#votca/votca#916]) - clean up NOTICE files ([gh#votca/votca#919]) - rm PYTHON_INSTDIR from VOTCARC ([gh#votca/votca#924]) - update citation in xtp README ([gh#votca/votca#925]) - fix install permission of tutorials ([gh#votca/votca#926])- ------------------------------------------------------------------- Mon Dec 6 11:27:23 UTC 2021 - Christoph Junghans - Merge votca-{tools,csg,xtp} into one package