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Update votca to version 2024 / rev 10 via SR 1143680
https://build.opensuse.org/request/show/1143680 by user cjunghans + anag+factory - 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
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------------------------------------------------------------------- | ||
Wed Jan 31 20:58:32 UTC 2024 - Christoph Junghans <[email protected]> | ||
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- Drop python3-espressomd testing dependency, revert once | ||
gh#espressomd/espresso#4856 is fixed. | ||
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------------------------------------------------------------------- | ||
Thu Jan 25 14:33:26 UTC 2024 - Christoph Junghans <[email protected]> | ||
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- 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 | ||
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------------------------------------------------------------------- | ||
Thu Nov 16 04:24:41 UTC 2023 - Christoph Junghans <[email protected]> | ||
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