forked from pool/votca
e8f938c5ac
- Update to v2024.1
- csg_reupdate: remove commented out dosteep ([gh#votca/votca#1103])
- CI: drop gmx2023, add gmx2024 ([gh#votca/votca#1106])
- new option to ignore segment types in KMC ([gh#votca/votca#1105])
- fixed dftcoupling option path ([gh#votca/votca#1107])
- cmake: fix MKL detection ([gh#votca/votca#1110])
- cmake: handover GMX options transparently ([gh#votca/votca#1108])
- CI: Switch Intel build to Ubuntu ([gh#votca/votca#1111])
- CI: update GitHub actions ([gh#votca/votca#1112])
- Fix Python print in hoomd tutorial ([gh#votca/votca#1118])
- CI: fix warnings ([gh#votca/votca#1119], [gh#votca/votca#1122],
[gh#votca/votca#1130], [gh#votca/votca#1138])
- votca_help2doc: fix python warnings ([gh#votca/votca#1121])
- Fix build with boost-1.85.0 ([gh#votca/votca#1123])
- make some interpreters explicit ([gh#votca/votca#1125],
[gh#votca/votca#1129])
- cmake: update hdf5 detection for cmake hdf5 ([gh#votca/votca#1126],
[gh#votca/votca#1127])
- scripts: use sed in posix way ([gh#votca/votca#1128])
- add CI on FreeBSD ([gh#votca/votca#1124])
- Fix Sphinx build ([gh#votca/votca#1131])
- add CONTRIBUTING.md ([gh#votca/votca#1133])
- csg_table fix ([gh#votca/votca#1134])
- Added v2024 JOSS paper and link to older pubs ([gh#votca/votca#1132])
- DFT and GW-BSE theory section in manual ([gh#votca/votca#1135])
- add rate theory part to XTP manual section ([gh#votca/votca#1136])
- adding transport model section to XTP manual ([gh#votca/votca#1137])
- switching optimizer in XTP tutorial ([gh#votca/votca#1139],
[gh#votca/votca#1140])
- csg-tutorials: auto-detect gmx binary ([gh#votca/votca#1144])
- add crest documentation ([gh#votca/votca#1145])
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=27