Published June 24, 2022
| Version 22.0.3
Software
Open
MOPAC
Description
This patch release is mainly to fix an unfortunate distribution / dependency issue, stemming from how CMake detects OpenMP libraries. This caused yet another missing dependency in the Linux installer and instances on Linux where multiple, disjoint OpenMP libraries were being linked into the MOPAC executable.
What's Changed- Install mopac-bz only if BUILD_WINMOPAC is set by @awvwgk in https://github.com/openmopac/mopac/pull/63
- Fix MOZYME density matrix indexing & reference timer in to_screen by @godotalgorithm in https://github.com/openmopac/mopac/pull/69
- Remove test dependencies & finish cleaning up redundant testing code by @godotalgorithm in https://github.com/openmopac/mopac/pull/70
- Fix erratic printing of GRADIENT NORM by @godotalgorithm in https://github.com/openmopac/mopac/pull/71
- Align OpenMP linking w/ BLAS by @godotalgorithm in https://github.com/openmopac/mopac/pull/74
- Ignore 'GRADIENT NORM' output in tests by @godotalgorithm in https://github.com/openmopac/mopac/pull/75
- @awvwgk made their first contribution in https://github.com/openmopac/mopac/pull/63
Full Changelog: https://github.com/openmopac/mopac/compare/v22.0.2...v22.0.3
Notes
If you use this software for a scientific publication, please cite it as below.
Files
openmopac/mopac-v22.0.3.zip
Files
(27.2 MB)
| Name | Size | Download all |
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md5:11206242caa3a2fcc2b8995b30f1a639
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27.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/openmopac/mopac/tree/v22.0.3 (URL)