grimme-lab
Duplicate symbols: MacOS build with ifort and clang compilers
Describe the bug On Mac (I don't think its version specific, but I have at least seen it on 11.6), when I try to build using the ifort_2022 Fortran compiler and Apple clang 13.0.0 C-compiler, I get a duplicate symbols error while trying to build.
This does not occur for me on Linux (using gcc C compiler) or Window (MSVC C compiler). I'm curious to see if this is a real issue with this combination of compilers or if something is wrong with my specific build set up.
meson input
meson setup xtb build --buildtype=release -Dla_backend=mkl-rt -Dopenmp=false -Dfortran_args=-fpp
Relevant section of output
[stdout] [381/415] Compiling Fortran object libxtb.6.dylib.p/src_bias_path.f90.o
[stdout] [382/415] Linking target libxtb.6.dylib
[stdout] [383/415] Linking static target libxtb.a
[stdout] [384/415] Linking target test/api/xtb_c_test
[stdout] FAILED: test/api/xtb_c_test
[stdout] /bin/clang -o test/api/xtb_c_test test/api/xtb_c_test.p/c_api_example.c.o -L/software/lib/Darwin-x86_64/ifort_2022.0.0/compiler/lib -L/software/lib/Darwin-x86_64/ifort_2020.0.166/mkl/lib -Wl,-dead_strip_dylibs -Wl,-headerpad_max_install_names -Wl,-undefined,error libxtb.a subprojects/mctc-lib/libmctc-lib.a subprojects/json-fortran-8.2.5/libjsonfortran.a -lifcore -lmkl_rt -lsvml -lirc -lifcore -lmkl_rt -lsvml -lirc -limf
[stdout] duplicate symbol '_json_parameters._' in:
[stdout] libxtb.a(src_json_parameters.F90.o)
[stdout] subprojects/json-fortran-8.2.5/libjsonfortran.a(src_json_parameters.F90.o)
[stdout] duplicate symbol '_json_parameters_mp_control_chars_' in:
[stdout] libxtb.a(src_json_parameters.F90.o)
[stdout] subprojects/json-fortran-8.2.5/libjsonfortran.a(src_json_parameters.F90.o)
[stdout] ld: 2 duplicate symbols for architecture x86_64
[stdout] clang: error: linker command failed with exit code 1 (use -v to see invocation)
[stdout] [385/415] Compiling Fortran object xtb.p/src_prog_submodules.f90.o
[stdout] [386/415] Compiling Fortran object xtb.p/src_prog_argparser.f90.o
[stdout] [387/415] Compiling Fortran object test/unit/tester.p/test_atomlist.f90.o
[stdout] [388/415] Compiling Fortran object test/unit/tester.p/molstock.f90.o
[stdout] [389/415] Compiling Fortran object test/unit/tester.p/test_coordinationnumber.f90.o
[stdout] [390/415] Compiling Fortran object test/unit/tester.p/test_dftd3.f90.o
[stdout] [391/415] Compiling Fortran object test/unit/tester.p/test_dftd4.f90.o
[stdout] [392/415] Compiling Fortran object test/unit/tester.p/test_eeq.f90.o
[stdout] [393/415] Compiling Fortran object test/unit/tester.p/test_coulomb.f90.o
[stdout] ninja: build stopped: subcommand failed.
Note this fails while building xtb_c_test, but if I manually remove subdir('test') from the end of meson.build, it will also fail with the same duplicated symbols error while linking for the xtb executable.
You could remove the JSON support from the IO library using -Dmctc-lib:json=disabled which apparently cases issues due to duplicated symbols here or try to build either mctc-lib or json-fortran as shared library using -Dmctc-lib:default_library=shared / -Djson-fortran-8.2.5:default_library=shared.
For MacOS builds you can also check https://github.com/grimme-lab/homebrew-qc, which provides homebrew compatible build instructions.