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RFC: Formalize CP2K pre-release readiness checklist

Status: Open.

#5392 In cp2k/cp2k;

· Growl1234 opened on Jun 12, 2026

PAO-ML does not work with CUDA-enabled pytorch

Status: Open.

#5389 In cp2k/cp2k;

· mkrack opened on Jun 12, 2026

New spack packages in CP2K 2026.2

Status: Open.

#5385 In cp2k/cp2k;

· mkrack opened on Jun 10, 2026

RFC: Code Owners

Status: Open.

#5377 In cp2k/cp2k;

· oschuett opened on Jun 8, 2026

Drop __HAS_IEEE_EXCEPTIONS flag

Status: Open.

#5371 In cp2k/cp2k;

· oschuett opened on Jun 7, 2026

GauXC/Skala spack pdbg build shows SIGFPE errors

Status: Open.

#5348 In cp2k/cp2k;

· mkrack opened on Jun 3, 2026

Feature request: Support isotope-mass post-processing for vibrational analysis

enhancementNew feature or requestNew feature or request

Status: Open.

#5311 In cp2k/cp2k;

· Growl1234 opened on May 28, 2026

RFC: Should USE_PREV_RHO_R be deprecated?

discussion needed

Status: Open.

#5298 In cp2k/cp2k;

· Growl1234 opened on May 26, 2026

Performance of GFN2-xTB via tblite

enhancementNew feature or requestNew feature or request

xtbIssue related to the xTB implementationIssue related to the xTB implementation

Status: Open.

#5273 In cp2k/cp2k;

· Growl1234 opened on May 23, 2026

Intermittent IOSTAT/EOF aborts in binary restarts due to race with file rotation

Status: Open.

#5259 In cp2k/cp2k;

· MGraml opened on May 20, 2026

Feature request: DFT-based Energy Decomposition Analysis (EDA) method for physical components of interaction energy in periodic systems

enhancementNew feature or requestNew feature or request

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#5208 In cp2k/cp2k;

· he-zilong opened on May 15, 2026

Incompatible version of DBCSR in toolchains

toolchainIssue related to the toolchain buildIssue related to the toolchain build

Status: Open.

#5184 In cp2k/cp2k;

· yunai2384 opened on May 13, 2026