CP2k

Changes since 6.1:

  • SIRIUS: Plane Wave module with GPU support, see also this tutorial for Quantum ESPRESSO users.
  • xTB: Tight-binding module based on doi:10.1021/acs.jctc.7b00118.
  • RPA / GW / MP2: migrated to DBCSR tensors.
  • HELIUM: New canonical worm algorithm based on doi:10.1103/PhysRevE.74.036701.
  • XAS_TDP: X-ray absorption spectra simulations using linear-response TDDFT.
  • NEGF: Contact-specific temperature, correct shift and scale factors.
  • S-ALMO: Major refactoring, added wide variety of options.
  • CDFT: Cleanup and bug fixing.
  • FPGA interface for pw FFT.
  • The cp2k_shell was integrated into the main binary, simply call cp2k with -s or --shell.
  • .sopt and .popt variants are no longer built, use OMP_NUM_THREADS=1 instead

libxc

  • fix missing linkage with libm for standard math functions

How to install

sudo dnf upgrade --refresh --advisory=FEDORA-2020-66e4aa529b

This update has been submitted for testing by rathann.

a year ago

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

a year ago

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

a year ago

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

a year ago

This update has been pushed to testing.

a year ago

rathann edited this update.

New build(s):

  • libxc-5.0.0-6.fc33

Karma has been reset.

a year ago

This update has been submitted for testing by rathann.

a year ago
User Icon kasiak commented & provided feedback a year ago
karma

Works for me.

BZ#1786794 cp2k-7.1.0 is available
BZ#1831474 FTI: cp2k: cp2k, cp2k-mpich, cp2k-openmpi
BZ#1883501 Relink `/lib64/libxc.so.9' with `/lib64/libm.so.6' for IFUNC symbol `sin' when running cp2k

This update has been submitted for stable by bodhi.

a year ago

This update has been pushed to stable.

a year ago

Please login to add feedback.

Metadata
Type
bugfix
Severity
urgent
Karma
1
Signed
Content Type
RPM
Test Gating
Settings
Unstable by Karma
-1
Stable by Karma
1
Stable by Time
3 days
Dates
submitted
a year ago
in stable
a year ago
modified
a year ago
BZ#1786794 cp2k-7.1.0 is available
0
1
BZ#1831474 FTI: cp2k: cp2k, cp2k-mpich, cp2k-openmpi
0
1
BZ#1863367 cp2k: FTBFS in Fedora rawhide/f33
0
0
BZ#1883501 Relink `/lib64/libxc.so.9' with `/lib64/libm.so.6' for IFUNC symbol `sin' when running cp2k
0
1

Automated Test Results