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CP2K build including LIBXSMM using spack

Status: Open.

#4828 In cp2k/cp2k;

· mkrack opened on Feb 12, 2026

TBLITE with CP2K v2026.1

Status: Open.

#4818 In cp2k/cp2k;

· mlacount91 opened on Feb 11, 2026

coordination number cutoff from input not used in D4

Status: Open.

#4816 In cp2k/cp2k;

· jpoto opened on Feb 10, 2026

CMake: Check if DBCSR is build with matching MPI settings

Status: Open.

#4807 In cp2k/cp2k;

· oschuett opened on Feb 9, 2026

CP2K compilation with Intel oneAPI

Status: Open.

#4795 In cp2k/cp2k;

· Growl1234 opened on Feb 7, 2026

Toolchain: Available Updates of Dependencies

Status: Open.

#4792 In cp2k/cp2k;

· Growl1234 opened on Feb 6, 2026

Error when compiling toolchains with GCC 15

Status: Open.

#4783 In cp2k/cp2k;

· sgwzq opened on Feb 5, 2026

GCC 15 produces code causing Cholesky decomposition failure

Status: Open.

#4774 In cp2k/cp2k;

· hfp opened on Feb 3, 2026

Segmentation fault when combining GFN2-xTB (via TBLite) with Orbital Transformation (OT)

Status: Open.

#4772 In cp2k/cp2k;

· DaedalusFlying opened on Feb 3, 2026

Toolchain: libvdwxc failed to config due to FFTW

Status: Open.

#4757 In cp2k/cp2k;

· Growl1234 opened on Jan 29, 2026

cmake errors about <code>Ninja</code> and <code>Spglib</code>

Status: Open.

#4705 In cp2k/cp2k;

· LePingKYXK opened on Jan 19, 2026

📚 Daily Automated arXiv Updates for AI4Chem Papers

Status: Open.

#4704 In cp2k/cp2k;

· YuzeHao2023 opened on Jan 18, 2026