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Information for build python-optking-0.3.0-3.fc41

ID339715
Package Namepython-optking
Version0.3.0
Release3.fc41
Epoch
SummaryA Python version of the PSI4 geometry optimization program by R.A. King
Descriptionoptking (also known as pyoptking) is a rewrite of the c++ optking module in psi4. This rewrite was undertaken to enable future development and for use with recent interoperability efforts (e.g. MolSSI QCArchive and QCDB). optking is focused on optimization of molecular geometries: finding minima, transition states, and reaction paths. Current work is focused especially on expanding the reaction path methods.
Built bydavidlt
State complete
Volume DEFAULT
StartedWed, 18 Sep 2024 10:10:53 UTC
CompletedWed, 18 Sep 2024 10:10:53 UTC
Tags
f41
RPMs
src
python-optking-0.3.0-3.fc41.src.rpm (info) (download)
noarch
python3-optking-0.3.0-3.fc41.noarch.rpm (info) (download)
Changelog * Mon Sep 02 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.3.0-3 - Removed explicit requires. * Mon Sep 02 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.3.0-2 - Review fixes. * Wed Aug 28 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.3.0-1 - First release.