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| Name: libmopac2 | Distribution: openSUSE Tumbleweed |
| Version: 23.2.5 | Vendor: openSUSE |
| Release: 1.2 | Build date: Fri May 22 12:01:31 2026 |
| Group: Unspecified | Build host: reproducible |
| Size: 5379337 | Source RPM: openmopac-23.2.5-1.2.src.rpm |
| Packager: http://bugs.opensuse.org | |
| Url: https://openmopac.github.io | |
| Summary: Dynamic libraries from openmopac | |
MOPAC is a computational chemistry software package that implements a variety of semi-empirical quantum chemistry methods based on the neglect of diatomic differential overlap (NDDO) approximation and fit primarily for gas-phase thermochemistry This package contains dynamic libraries.
Apache-2.0
* Fri May 22 2026 Martin Pluskal <mpluskal@suse.com>
- Update to version 23.2.5:
* Update README.md to fix Zenodo badge
* Version bump to 23.2.5
* Avoid out-of-bounds copies in API wrapper for natom<0
* Correctly initialize error handler in API calls
* Add API test for error handler recovery
* Add C++ compatibility to API header
* Update citation information & patch bump
* Fix example directory location in CMake packaging
* Increment patch level (23.2.3)
* Fix fragile command to get number of cores on Linux
* Update Mac GHA runner
* Update /examples/README.md (typo)
* Update /examples/README.md w/ further info
* Update README.md (clean-up & streamlining)
* Update README.md
* Add examples to repo and packaging
* Fix minor inconsistency in GRAD as a synonym for GRADIENTS
* Update patch version
* Fix RHF/UHF test reference data & remove case w/ SCF hysteresis
* Add RHF/UHF switch test for API
* Fix density matrix init in API, add support for RHF init of UHF
* Set RHF & UHF flags in API
* Update patch version
* Fix API dipole with frozen atoms
* Fix API PM6-D3H4 bug
* Fix API charge bug
* Add API test to detect charge & PM6-D3H4 bugs
* Change jsmol path to relative base URL
* Adjust format of error message
* Add time limit to MOZYME iter
* Add more suggestions to the SCF failure message
* Set no-convergence error flags for iter timeout
* Distinguish between PRECISE and PRECISION keywords
* Minor version bump to 23.2
* Fix loop bounds when checking for lattice vectors in API
* Remove last defunct references to Java/JMol
* Fix powershell command
* Switch to powershell to get # of cores in Windows CI
* Suppress time limit in ITER for CYCLES & BIGCYCLES
* Check (relative) time limit in iter
* Synchronize density calculation in mullik w/ iter
* Add missing variable declarations in mullik
* Fix typo in mpcsyb arguments
* Avoid use of mpack in mixed MOPAC/MOZYME code paths (mullik)
* Fix d orbitals in overlap matrix & add UHF case to mullik
* Move population matrix from global pb to local popmat
* Remove (unreliable) UHF barrier for MULLIK
* Update references for 2 tests that failed (probing nonequilibrium C-C distances)
* Narrow correction region & increase polynomial degree of correction to 7
* Regularize C-C correction, add derivative, & move to compfg
* Replace C-C step function correction with continuous correction
* Add QMMM support to MOZYME
* Update I parameters in PM6-ORG and remove out-of-model elements
* Adjust Intel installer CLI options
* Update Windows runner version
* Remove zero-electron barrier for gradients
* Install OpenBLAS through Ubuntu package manager
* Update linux GHA runner versions
* Clarify COSMO authorship
* Remove remaining unused COSMO arrays
* Remove cmat & ciint
* Wed May 21 2025 Martin Pluskal <mpluskal@suse.com>
- Regenerate obscpio archive without excluding hidden files
- Use gfortran-14 for building on Leap
* Thu Mar 13 2025 Martin Pluskal <mpluskal@suse.com>
- Initial packaging for openmopac 23.1.2
/usr/lib/libmopac.so.2 /usr/share/licenses/libmopac2 /usr/share/licenses/libmopac2/LICENSE
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Fabrice Bellet, Sun Aug 2 04:22:40 2026