votca/votca-2024.tar.gz at 6061f24dd142c55b2d4ce1091d4495274f360fa57eea1d4f45db1e6972aee53f - votca - openSUSE Gitea

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Christoph Junghans 6ffee21246 Accepting request 1141606 from home:cjunghans:branches:science

- Dropped 1093.patch, merged upstream
  - fix links in README and doc (gh#votca/votca#1091])
  - fix python shebang to python3 (gh#votca/votca#1093])
  - Clean-up CI (gh#votca/votca#1092], #1095)
  - remove reference to old webpage (gh#votca/votca#1094])
  - fix doc generation without pyxtp (gh#votca/votca#1097])
  - Do not run gmx tests without libgromacs (gh#votca/votca#1099])
  - KS-QMMM for single-particle states (gh#votca/votca#1100])
  - Spin-orbitals from ORCA in QMMM (gh#votca/votca#1101])
  - better unit test for DFT embedding (gh#votca/votca#1102])
- Update to 2024

OBS-URL: https://build.opensuse.org/request/show/1141606
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=21

2024-01-25 22:21:44 +00:00

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