Revisions of votca
- Drop python3-espressomd testing dependency, revert once gh#espressomd/espresso#4856 is fixed. - 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], [gh#votca/votca#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
- only use python3-epressomd for testing on x86_64
Merge votca-* into one package for more features and better testing.
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