Published July 8, 2022
| Version 22.0.4
Software
Open
MOPAC
Description
MOPAC is now available on the conda-forge channel of the conda package manager. This patch release is primarily intended to fix an OpenMP dependency issue that is causing problems for the conda-forge build. The CTest testing system has also been cleaned up for multi-threaded environments by identifying all test dependencies, which was causing problems for MOPAC deployment on the Fedora package manager.
What's Changed- Fix handling of OpenMP. by @susilehtola in https://github.com/openmopac/mopac/pull/77
- Avoid reading endian-dependent test files by regenerating them by @godotalgorithm in https://github.com/openmopac/mopac/pull/79
- OpenMP linkage was broken again by @susilehtola in https://github.com/openmopac/mopac/pull/85
- Clarify test dependence w/ CTest properties by @godotalgorithm in https://github.com/openmopac/mopac/pull/86
- Add a few missing test dependencies by @godotalgorithm in https://github.com/openmopac/mopac/pull/90
- Prevent EOF runtime errors in parsing SYMMETRY data by @godotalgorithm in https://github.com/openmopac/mopac/pull/95
Full Changelog: https://github.com/openmopac/mopac/compare/v22.0.3...v22.0.4
Notes
If you use this software for a scientific publication, please cite it as below.
Files
openmopac/mopac-v22.0.4.zip
Files
(19.7 MB)
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md5:31cb834b48505aeb43909cb7413c9446
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19.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/openmopac/mopac/tree/v22.0.4 (URL)