[rpms/cp2k] rawhide: Sync upstream modification

[rpms/cp2k] rawhide: Sync upstream modification

[SY Wang]

A new commit has been pushed.

Repo   : rpms/cp2k
Branch : rawhide
Commit : c31c3a79b20fd8c8eb19f99c874bfe4480f06d37
Author : SY Wang <uwsy1059@qq.com>
Date   : 2026-09-23T18:09:53+08:00
Stats  : +14/-17 in 1 file(s)
URL    : https://src.fedoraproject.org/rpms/cp2k/c/c31c3a79b20fd8c8eb19f99c874bfe4480f06d37?branch=rawhide

Log:
Sync upstream modification

---
diff --git a/cp2k.spec b/cp2k.spec
index 86440d4..b9d20d6 100644
--- a/cp2k.spec
+++ b/cp2k.spec
@@ -37,9 +37,7 @@ BuildRequires: pkgconfig(fftw3)
 BuildRequires: cmake(libxs)
 BuildRequires: cmake(libxsmm)
 %endif
-# cmake(Libxc) technically fails
-# https://github.com/cp2k/cp2k/issues/3767
-BuildRequires: libxc-devel
+BuildRequires: cmake(libxc)
 BuildRequires: cmake(Spglib)
 # Test dependencies
 BuildRequires: python3
@@ -47,14 +45,11 @@ BuildRequires: python3
 Requires:      %{name}-common = %{version}-%{release}
 
 %global _description %{expand:
-CP2K is a freely available (GPL) program, written in Fortran 95, to
-perform atomistic and molecular simulations of solid state, liquid,
-molecular and biological systems. It provides a general framework for
-different methods such as e.g. density functional theory (DFT) using a
-mixed Gaussian and plane waves approach (GPW), and classical pair and
-many-body potentials.
-
-CP2K does not implement Car-Parinello Molecular Dynamics (CPMD).}
+CP2K is a quantum chemistry and solid state physics software package that can
+perform atomistic simulations of solid state, liquid, molecular, periodic,
+material, crystal, and biological systems. It provides a general framework for
+different modeling methods such as DFT using the mixed Gaussian and plane waves
+approaches GPW and GAPW.}
 
 %description
 %{_description}
@@ -82,7 +77,6 @@ developing applications that use %{name}.
 %package openmpi
 Summary:        Molecular simulations software - openmpi version
 BuildRequires:  openmpi-devel
-BuildRequires:  blacs-openmpi-devel
 BuildRequires:  dbcsr-openmpi-devel
 BuildRequires:  scalapack-openmpi-devel
 
@@ -106,7 +100,6 @@ developing applications that use %{name}.
 %package mpich
 Summary:        Molecular simulations software - mpich version
 BuildRequires:  mpich-devel
-BuildRequires:  blacs-mpich-devel
 BuildRequires:  dbcsr-mpich-devel
 BuildRequires:  scalapack-mpich-devel
 
@@ -135,15 +128,13 @@ rm tools/build_utils/fypp
 # $MPI_SUFFIX will be evaluated in the loops below, set by mpi modules
 %global _vpath_builddir %{_vendor}-%{_target_os}-build${MPI_SUFFIX:-_serial}
 
-
-%build
+%conf
 cmake_common_args=(
   "-G Ninja"
   "-DCMAKE_BUILD_TYPE:STRING=Generic"
   "-DCP2K_BLAS_VENDOR:STRING=FlexiBLAS"
   "-DCP2K_USE_EVERYTHING:BOOL=OFF"
   "-DCP2K_USE_STATIC_BLAS:BOOL=OFF"
-  # Dependencies equivalent with Default
   "-DCP2K_USE_FFTW3:BOOL=ON"
   "-DCP2K_USE_LIBINT2:BOOL=ON"
   "-DCP2K_USE_LIBXC:BOOL=ON"
@@ -174,11 +165,17 @@ for mpi in '' mpich openmpi; do
   %cmake \
     ${cmake_common_args[@]} \
     ${cmake_mpi_args[@]}
-  %cmake_build
 
   [ -n "$mpi" ] && module unload mpi/${mpi}-%{_arch}
 done
 
+%build
+for mpi in '' mpich openmpi; do
+  [ -n "$mpi" ] && module load mpi/${mpi}-%{_arch}
+  %cmake_build
+  [ -n "$mpi" ] && module unload mpi/${mpi}-%{_arch}
+done
+
 %install
 for mpi in '' mpich openmpi; do
   [ -n "$mpi" ] && module load mpi/${mpi}-%{_arch}