Fixes for the GCC 15 compiler

Add -std=c17 flag where needed, because GCC 15 applies -std=gnu23 by default

arch/Linux-gnu-x86_64-static.ssmp

@@ -6,7 +6,7 @@
 #
 # Usage: Source this arch file and then run make as instructed.
 #
-# Last update: 16.05.2025
+# Last update: 12.06.2025
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -19,7 +19,8 @@
    rm -rf build; \
    [[ -z "${target_cpu}" ]] && target_cpu="native"; \
    echo "Found GCC $(gcc -dumpfullversion) compiler"; \
-   ./install_cp2k_toolchain.sh -j${maxtasks} --mpi-mode=no --no-arch-files --target-cpu=${target_cpu} --with-gcc --with-ace --with-dftd4 --with-hdf5 --with-trexio; \
+   ./install_cp2k_toolchain.sh -j${maxtasks} --mpi-mode=no --no-arch-files --target-cpu=${target_cpu} --with-gcc \
+                                             --with-ace --with-dftd4 --with-hdf5 --with-tblite --with-trexio; \
    source ./install/setup; \
    cd ../..; \
    echo; \
@@ -234,7 +235,7 @@ endif
 
 CFLAGS         += $(DFLAGS) $(CFLAGS_DEBUG)
 
-CXXFLAGS       := $(CFLAGS) --std=c++14
+CXXFLAGS       := $(CFLAGS)
 
 FCFLAGS        := $(CFLAGS) $(FCFLAGS_DEBUG) $(WFLAGS)
 ifeq ($(shell [ $(shell gcc -dumpversion | cut -d. -f1) -gt 9 ] && echo yes), yes)
@@ -246,6 +247,9 @@ FCFLAGS        += -ffree-line-length-none
 FCFLAGS        += -fno-omit-frame-pointer
 FCFLAGS        += -std=f2008
 
+CFLAGS         += -std=c17
+CXXFLAGS       += -std=c++17
+
 # The LeakSanitizer does not work with static linking
 ifeq ($(DO_CHECKS), yes)
    LDFLAGS        += $(FCFLAGS)

arch/Linux-gnu-x86_64.psmp

@@ -9,7 +9,7 @@
 #        Optionally, GNU compiler and MPI implementation can be specified as arguments.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Last update: 16.05.2025
+# Last update: 12.06.2025
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -478,7 +478,7 @@ endif
 
 CFLAGS         += $(DFLAGS) $(CFLAGS_DEBUG)
 
-CXXFLAGS       := $(CFLAGS) --std=c++14
+CXXFLAGS       := $(CFLAGS)
 
 FCFLAGS        := $(CFLAGS) $(FCFLAGS_DEBUG) $(WFLAGS)
 ifeq ($(shell [ $(shell gcc -dumpversion | cut -d. -f1) -gt 9 ] && echo yes), yes)
@@ -490,6 +490,9 @@ FCFLAGS        += -ffree-line-length-none
 FCFLAGS        += -fno-omit-frame-pointer
 FCFLAGS        += -std=f2008
 
+CFLAGS         += -std=c17
+CXXFLAGS       += -std=c++17
+
 LDFLAGS        += $(FCFLAGS)
 
 LIBS           += -lz -ldl -lstdc++

tools/toolchain/scripts/generate_arch_files.sh

@@ -143,16 +143,16 @@ if [ "${with_intel}" != "__DONTUSE__" ]; then
     FC_arch+=" IF_MPI(-fc=${I_MPI_FC}|)"
     LD_arch+=" IF_MPI(-fc=${I_MPI_FC}|)"
   fi
-  CFLAGS="${G_CFLAGS} -std=c11 -Wall \$(DFLAGS)"
-  CXXFLAGS="${G_CFLAGS} -std=c++14 -Wall \$(DFLAGS)"
+  CFLAGS="${G_CFLAGS} -std=c17 -Wall \$(DFLAGS)"
+  CXXFLAGS="${G_CFLAGS} -std=c++17 -Wall \$(DFLAGS)"
   FCFLAGS="${FCFLAGS} -diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free"
   # Suppress warnings and add include path to omp_lib.mod explicitly.
   # No clue why the Intel oneAPI setup script does not include that path (bug?)
   FCFLAGS="${FCFLAGS} -diag-disable=10448 -I/opt/intel/oneapi/2024.1/opt/compiler/include/intel64"
 elif [ "${with_amd}" != "__DONTUSE__" ]; then
-  CFLAGS="$G_CFLAGS -std=c11 -Wall \$(DFLAGS)"
+  CFLAGS="$G_CFLAGS -std=c17 -Wall \$(DFLAGS)"
 else
-  CFLAGS="$G_CFLAGS -std=c11 -Wall -Wextra -Werror -Wno-vla-parameter -Wno-deprecated-declarations \$(DFLAGS)"
+  CFLAGS="${G_CFLAGS} -std=c17 -Wall -Wextra -Werror -Wno-vla-parameter -Wno-deprecated-declarations \$(DFLAGS)"
 fi
 
 # Linker flags
@@ -166,9 +166,9 @@ LDFLAGS="IF_STATIC(${STATIC_FLAGS}|) \$(FCFLAGS) ${CP_LDFLAGS}"
 LIBS="${CP_LIBS} -lstdc++"
 
 if [ "${with_intel}" == "__DONTUSE__" ] && [ "${with_amd}" == "__DONTUSE__" ]; then
-  CXXFLAGS+=" --std=c++14 \$(DFLAGS) -Wno-deprecated-declarations"
+  CXXFLAGS+=" -std=c++17 \$(DFLAGS) -Wno-deprecated-declarations"
 else
-  CXXFLAGS+=" --std=c++14 \$(DFLAGS)"
+  CXXFLAGS+=" -std=c++17 \$(DFLAGS)"
 fi
 # CUDA handling
 if [ "${ENABLE_CUDA}" = __TRUE__ ] && [ "${GPUVER}" != no ]; then

tools/toolchain/scripts/stage0/install_gcc.sh

@@ -8,6 +8,8 @@ SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")/.." && pwd -P)"
 
 gcc_ver="14.2.0"
 gcc_sha256="7d376d445f93126dc545e2c0086d0f647c3094aae081cdb78f42ce2bc25e7293"
+#gcc_ver="15.1.0"
+#gcc_sha256="51b9919ea69c980d7a381db95d4be27edf73b21254eb13d752a08003b4d013b1"
 
 source "${SCRIPT_DIR}"/common_vars.sh
 source "${SCRIPT_DIR}"/tool_kit.sh

tools/toolchain/scripts/stage2/install_gmp.sh

@@ -44,7 +44,8 @@ case "$with_gmp" in
       mkdir build
       cd build
       # autotools setup, out-of-source build
-      ../configure --prefix="${pkg_install_dir}" \
+      ../configure CFLAGS="${CFLAGS} -std=c17" \
+        --prefix="${pkg_install_dir}" \
         --libdir="${pkg_install_dir}/lib" \
         --enable-cxx=yes \
         --includedir="${pkg_install_dir}/include" \

tools/toolchain/scripts/stage3/install_fftw.sh

@@ -54,7 +54,10 @@ case "$with_fftw" in
           grep '\bavx512f\b' /proc/cpuinfo 1> /dev/null && FFTW_FLAGS="${FFTW_FLAGS} --enable-avx512"
         fi
       fi
-      ./configure --prefix=${pkg_install_dir} --libdir="${pkg_install_dir}/lib" ${FFTW_FLAGS} \
+      ./configure CFLAGS="${CFLAGS} -std=c17" \
+        --prefix=${pkg_install_dir} \
+        --libdir="${pkg_install_dir}/lib" \
+        ${FFTW_FLAGS} \
         > configure.log 2>&1 || tail -n ${LOG_LINES} configure.log
       make -j $(get_nprocs) > make.log 2>&1 || tail -n ${LOG_LINES} make.log
       make install > install.log 2>&1 || tail -n ${LOG_LINES} install.log

tools/toolchain/scripts/stage4/install_scalapack.sh

@@ -48,16 +48,19 @@ case "$with_scalapack" in
       cflags=""
       fflags=""
       if ("${FC}" --version | grep -q 'GNU'); then
-        cflags="-fpermissive"
+        cflags="-fpermissive -std=c17"
         fflags=$(allowed_gfortran_flags "-fallow-argument-mismatch")
       fi
-      CFLAGS=${cflags} FFLAGS=${fflags} cmake -DCMAKE_FIND_ROOT_PATH="$ROOTDIR" \
+      cmake \
+        -DCMAKE_BUILD_TYPE=Release .. \
+        -DCMAKE_C_FLAGS="${cflags}" \
+        -DCMAKE_Fortran_FLAGS="${fflags}" \
+        -DCMAKE_FIND_ROOT_PATH="${ROOTDIR}" \
         -DCMAKE_INSTALL_PREFIX="${pkg_install_dir}" \
         -DCMAKE_INSTALL_LIBDIR="lib" \
         -DCMAKE_POSITION_INDEPENDENT_CODE=ON \
         -DCMAKE_VERBOSE_MAKEFILE=ON \
         -DBUILD_SHARED_LIBS=NO \
-        -DCMAKE_BUILD_TYPE=Release .. \
         -DBUILD_TESTING=NO \
         -DSCALAPACK_BUILD_TESTS=NO \
         > configure.log 2>&1 || tail -n ${LOG_LINES} configure.log

tools/toolchain/scripts/stage6/install_ace.sh

@@ -45,10 +45,14 @@ case "$with_ace" in
       tar -xzf ${ace_pkg}
       cd ${ace_dir}
 
+      # Fix for GCC 15
+      sed -i '1i #include <cstdint>' yaml-cpp/src/emitterutils.cpp
+
       mkdir build
       cd build
+
       cmake \
-        -DCMAKE_CXX_STANDARD=11 \
+        -DCMAKE_CXX_STANDARD=17 \
         .. > cmake.log 2>&1 || tail -n ${LOG_LINES} cmake.log
       make -j > make.log 2>&1 || tail -n ${LOG_LINES} make.log
       # no make install.

tools/toolchain/scripts/stage6/install_deepmd.sh

@@ -47,10 +47,10 @@ case "$with_deepmd" in
       mkdir build
       cd build
       cmake \
-        -DENABLE_PYTORCH=TRUE \
         -DCMAKE_INSTALL_PREFIX="${pkg_install_dir}" \
-        -DCMAKE_CXX_STANDARD=17 \
+        -DCMAKE_CXX_STANDARD=11 \
         -DCMAKE_CXX_STANDARD_REQUIRED=TRUE \
+        -DENABLE_PYTORCH=TRUE \
         .. > cmake.log 2>&1 || tail -n ${LOG_LINES} cmake.log
       make -j deepmd_c > make.log 2>&1 || tail -n ${LOG_LINES} make.log
       make install > install.log 2>&1 || tail -n ${LOG_LINES} install.log

tools/toolchain/scripts/stage8/install_sirius.sh

@@ -118,6 +118,9 @@ case "$with_sirius" in
       # Workaround for https://github.com/electronic-structure/SIRIUS/issues/1073
       patch -p1 < ${SCRIPT_DIR}/stage8/sirius_memory.patch
 
+      # Fix for GCC 15
+      sed -i '1i #include <cstdint>' src/core/memory.hpp
+
       rm -Rf build
       mkdir build
       cd build