stable
FEDORA-2022-998fa02cff created by rathann 5 months ago for Fedora 36
  • Add NEWTONX interface (#1794)
  • Add Gromacs QM/MM support (see also)
  • Adopt BSD3 license for new performance critical code (#1632)
  • Add GAL21 forcefield (#1579)
  • Upgrade to MPI_THREAD_SERIALIZED (#1564)
  • Add new pseudopotentials and basis sets (#1547, #1551)
  • Add analytical derivatives of the MO coefficients wrt nuclear coordinates (#1706)
  • Add forces for RI-HFX (#1688)
  • Add forces for TDDFT (#1670, #1759)
  • Regularized RI for periodic GW (#1776)
  • Add beadwise constraints to PINT (#1734)
  • Add analytical stress tensor for NNP (#1783)
  • Add ghost particles and tip scan for xTB (#1578)
  • Add forces and stress tensor for MP2-based double-hybrids (#1647)
  • Rewrite regtesting script in Python, arguments changed slightly (#1548)

How to install

sudo dnf upgrade --refresh --advisory=FEDORA-2022-998fa02cff

This update has been submitted for testing by rathann.

5 months ago

This update's test gating status has been changed to 'ignored'.

5 months ago

This update has been pushed to testing.

5 months ago

This update has been submitted for stable by bodhi.

5 months ago

This update has been pushed to stable.

5 months ago

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Metadata
Type
enhancement
Severity
low
Karma
0
Signed
Content Type
RPM
Test Gating
Settings
Unstable by Karma
-1
Stable by Karma
1
Stable by Time
3 days
Dates
submitted
5 months ago
in testing
5 months ago
in stable
5 months ago
BZ#2036421 cp2k-9.1.0 is available
0
0

Automated Test Results