comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 22:25:32 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

CMake: revised compiler configuration

Browse source 
* Provide compiler configurations for Intel LLVM-based compilers.
* Definitions for GNU and Intel Compilers:
  - Define __HAS_IEEE_EXCEPTIONS (Release builds).
  - Define __MAX_CONTR=4.
* Minor format cleanup.
This commit is contained in:
Hans Pabst 2025-07-07 15:03:23 +02:00
parent 36d1149e50
commit 73a6dc3ac2
2 changed files with 15 additions and 10 deletions
Download patch file Download diff file Expand all files Collapse all files

8
CMakeLists.txt
View file

@ -388,10 +388,10 @@ if(CP2K_USE_MPI)
if(NOT MPI_Fortran_HAVE_F90_MODULE)
message(
FATAL_ERROR
"\
The listed MPI implementation does not provide the required mpi.mod interface. \
When using the GNU compiler in combination with Intel MPI, please use the \
Intel MPI compiler wrappers. Check the INSTALL.md for more information.")
"The listed MPI implementation does not provide the required mpi.mod interface."
" When using the GNU compiler in combination with Intel MPI, please use the"
" Intel MPI compiler wrappers. Check the INSTALL.md for more information."
)
endif()
if("${MPI_Fortran_LIBRARY_VERSION_STRING}" MATCHES "Open MPI v2.1"
OR "${MPI_Fortran_LIBRARY_VERSION_STRING}" MATCHES "Open MPI v3.1")

17
cmake/CompilerConfiguration.cmake
View file

@ -5,8 +5,8 @@
#! SPDX-License-Identifier: GPL-2.0-or-later !
#!-------------------------------------------------------------------------------------------------!
set(CP2K_C_COMPILER_LIST "GNU;Intel;NAG;Cray;PGI;Clang;AppleClang")
set(CP2K_Fortran_COMPILER_LIST "GNU;Intel;NAG;Cray;PGI")
set(CP2K_C_COMPILER_LIST "GNU;Intel;IntelLLVM;NAG;Cray;PGI;Clang;AppleClang")
set(CP2K_Fortran_COMPILER_LIST "GNU;Intel;IntelLLVM;NAG;Cray;PGI")
if(NOT CMAKE_C_COMPILER_ID IN_LIST CP2K_C_COMPILER_LIST)
message(
@ -36,9 +36,10 @@ endif()
# (similar to -h system_alloc)
add_compile_options(
"$<$<COMPILE_LANG_AND_ID:C,GNU>:-march=native;-mtune=native>"
"$<$<COMPILE_LANG_AND_ID:Fortran,GNU>:-march=native;-mtune=native;-fbacktrace;-ffree-line-length-none;-ffree-form;-std=f2008;-fimplicit-none;-Werror=aliasing;-Werror=ampersand;-Werror=c-binding-type;-Werror=conversion;-Werror=intrinsic-shadow;-Werror=intrinsics-std;-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime;-Werror=underflow;-Werror=unused-but-set-variable;-Werror=unused-variable>"
"$<$<COMPILE_LANG_AND_ID:Fortran,GNU>:-march=native;-mtune=native;-fbacktrace;-ffree-line-length-none;-ffree-form;-std=f2008;-fimplicit-none;-Werror=aliasing;-Werror=ampersand;-Werror=c-binding-type;-Werror=conversion;-Werror=intrinsic-shadow;-Werror=intrinsics-std;-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime;-Werror=underflow;-Werror=unused-but-set-variable;-Werror=unused-variable;-D__MAX_CONTR=4>"
"$<$<AND:$<COMPILE_LANG_AND_ID:Fortran,GNU>,$<VERSION_GREATER_EQUAL:${CMAKE_Fortran_COMPILER_VERSION},11>>:-fallow-argument-mismatch>"
"$<$<COMPILE_LANG_AND_ID:Fortran,Intel>:-free;-stand=f18;-fpp;-heap-arrays>"
"$<$<COMPILE_LANG_AND_ID:Fortran,Intel>:-free;-stand f18;-fpp;-heap-arrays;-D__MAX_CONTR=4>"
"$<$<COMPILE_LANG_AND_ID:Fortran,IntelLLVM>:-free;-fpp;-D__MAX_CONTR=4>"
"$<$<COMPILE_LANG_AND_ID:Fortran,PGI>:-Mfreeform;-Mextend;-Mallocatable=03>"
"$<$<COMPILE_LANG_AND_ID:Fortran,NAG>:-f2008;-free;-Warn=reallocation;-Warn=subnormal>"
"$<$<COMPILE_LANG_AND_ID:C,Cray>:-hnoacc;-h;nomessage=1234>"
@ -46,14 +47,16 @@ add_compile_options(
)
add_compile_options(
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-g;-funroll-loops>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-g;-funroll-loops;-D__HAS_IEEE_EXCEPTIONS>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,PGI>>:-fast>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,Intel>>:-O3;-g>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,Intel>>:-O3;-g;-D__HAS_IEEE_EXCEPTIONS>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,IntelLLVM>>:-O3;-g;-D__HAS_IEEE_EXCEPTIONS>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,Cray>>:-O2;-G2>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,NAG>>:-gline>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,GNU>>:-g;-funroll-loops;-Wall>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,PGI>>:-fast>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,Intel>>:-O3;-g>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,IntelLLVM>>:-O3;-g>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,Cray>>:-O3>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,NAG>>:-gline>"
"$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,Clang>>:-O3;-funroll-loops>"
@ -65,10 +68,12 @@ add_compile_options(
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-fbacktrace;-ffree-form;-fimplicit-none;-std=f2008;-fsanitize=leak;-fcheck=all,no-array-temps;-ffpe-trap=invalid,zero,overflow;-finit-derived;-finit-real=snan;-finit-integer=-42;-Werror=realloc-lhs;-finline-matmul-limit=0>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,PGI>>:-g>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,Intel>>:-O2;-debug>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,IntelLLVM>>:-O2;-debug>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,Cray>>:-G2>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,GNU>>:-O2;-ggdb;-Wall;-fsanitize=undefined;-fsanitize=address;-fsanitize-recover=all;-Wall;-Wextra;-Werror;-Wno-vla-parameter;-Wno-deprecated-declarations>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,PGI>>:-fast>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,Intel>>:-O3;-g>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,IntelLLVM>>:-O3;-g>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,Cray>>:-G2>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,NAG>>:-g;-C>"
"$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,Clang>>:-O1;-g;-fno-omit-frame-pointer>"