Warn Users About Potential Build Failures in Custom Environments in README.md

[JananiPSrinivasan]

Background

• A user who tried to build MOLE faced the following error

  #pragma message ("WARNING: SuperLU headers not found; using built-in definitions")
          ^
1 warning generated.
make[2]: *** No rule to make target `third_party_install/superlu-5.3.0/lib/libsuperlu.a', needed by `tests/cpp/test1'.  Stop.
make[1]: *** [tests/cpp/CMakeFiles/test1.dir/all] Error 2
make: *** [all] Error 2
(base) apple@HUAWEI-MateBook-X build % 

• Upon tracing, it was found that the user was using a Hackintosh or dual-booted Linux/macOS (Possible for macOS on Intel architectures too)

-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - failed
-- Check for working Fortran compiler: /usr/local/Cellar/gcc/14.2.0_1/bin/gfortran
-- Check for working Fortran compiler: /usr/local/Cellar/gcc/14.2.0_1/bin/gfortran - broken
CMake Error at /usr/local/share/cmake/Modules/CMakeTestFortranCompiler.cmake:59 (message):
  The Fortran compiler

    "/usr/local/Cellar/gcc/14.2.0_1/bin/gfortran"

  is not able to compile a simple test program.

  It fails with the following output:

    Change Dir: '/Users/apple/git_repos/mole/build/third_party_build/superlu-5.3.0/build/CMakeFiles/CMakeScratch/TryCompile-J6caDj'
    
    Run Build Command(s): /usr/local/bin/cmake -E env VERBOSE=1 /usr/bin/make -f Makefile cmTC_e211f/fast
    /Applications/Xcode.app/Contents/Developer/usr/bin/make  -f CMakeFiles/cmTC_e211f.dir/build.make CMakeFiles/cmTC_e211f.dir/build
    Building Fortran object CMakeFiles/cmTC_e211f.dir/testFortranCompiler.f.o
    /usr/local/Cellar/gcc/14.2.0_1/bin/gfortran   -fPIE -c /Users/apple/git_repos/mole/build/third_party_build/superlu-5.3.0/build/CMakeFiles/CMakeScratch/TryCompile-J6caDj/testFortranCompiler.f -o CMakeFiles/cmTC_e211f.dir/testFortranCompiler.f.o
    Linking Fortran executable cmTC_e211f
    /usr/local/bin/cmake -E cmake_link_script CMakeFiles/cmTC_e211f.dir/link.txt --verbose=1
    ld: unsupported tapi file type '!tapi-tbd' in YAML file '/Library/Developer/CommandLineTools/SDKs/MacOSX14.sdk/usr/lib/libSystem.tbd' for architecture x86_64
    collect2: error: ld returned 1 exit status
    /usr/local/Cellar/gcc/14.2.0_1/bin/gfortran CMakeFiles/cmTC_e211f.dir/testFortranCompiler.f.o -o cmTC_e211f
    make[1]: *** [cmTC_e211f] Error 1
    make: *** [cmTC_e211f/fast] Error 2

Issue

• Fortran which was installed the user's system was not compatible with OS
• A Linker incompatibility between gfortran and the latest macOS SDK

How to handle this ?

Provide a heads-up in the readme to check compatibilities of compilers with OS

For Example,
Important:

• MOLE may require system-level compilers such as gfortran for additional components.
• Ensure your compilers (e.g., GCC, Clang, gfortran) are properly installed and compatible with your operating system and SDK.
• If you're building MOLE on less common or mixed environments (e.g., dual-boot setups or custom configurations), consider isolating builds using Docker or a clean virtual machine for reproducibility.

Post your views on tackling these kind of issue.

[jbrzensk]

Always good to add more notes.

The error above seems to be with the CLT (Command Line Tools) that the the OSX has installed

ld: unsupported tapi file type '!tapi-tbd' in YAML file '/Library/Developer/CommandLineTools/SDKs/MacOSX14.sdk/usr/lib/libSystem.tbd' for architecture x86_64

Either the CLT from XCode needs to be reinstalled, OR there is a Python environment setup that is conflicting with it.

[JananiPSrinivasan]

The user has reinstalled Xcode, but the error still persists. I am currently working with them to identify the root cause of the issue.