cp2k 2026.1 安装时make出错，求大神帮助

fanchenm

[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/kpoint_transitional.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/qs_ot_types.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/tblite_types.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/cp_dbcsr_cholesky.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/preconditioner_solvers.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/soc_pseudopotential_utils.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/preconditioner_makes.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/fm/cp_cfm_diag.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/qs_condnum.F.o
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/rpa_sigma_functional.F.o
/home/fanchen/cp2k-2026.1/build/src/tblite_types.F:17:7:

   17 |    USE mctc_io, ONLY: structure_type, new
      |       1
Error: The rank of the element in the structure constructor at (1) does not match that of the component (0/1)
/home/fanchen/cp2k-2026.1/build/src/tblite_types.F:18:7:

   18 |    USE tblite_xtb_calculator, ONLY: xtb_calculator
      |       1
Error: Invalid initialization expression for ALLOCATABLE component ‘repulsion’ in structure constructor at (1)
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/input_cp2k_ls.F.o
make[2]: *** [src/CMakeFiles/cp2k.dir/build.make:15463: src/CMakeFiles/cp2k.dir/tblite_types.F.o] Error 1
make[2]: *** Waiting for unfinished jobs....
[ 62%] Building Fortran object src/CMakeFiles/cp2k.dir/pao_optimizer.F.o
make[1]: *** [CMakeFiles/Makefile2:236: src/CMakeFiles/cp2k.dir/all] Error 2
make: *** [Makefile:136: all] Error 2

UW_0728.

确保编译器版本兼容，且tblite被正确、完整安装。我自己的Rocky Linux 10.1自带的GCC（版本14.3.1）编译CP2K 2026.1及其toolchain没出任何问题

sobereva

严格照着此文安装，编译器版本兼容性问题文中也说了
CP2K第一性原理程序在Linux中的安装方法
http://sobereva.com/586（http://bbs.keinsci.com/thread-21608-1-1.html）
实在搞不定且不需要的话就不装tblite