What type of PR is this? (check all applicable)

• Refactor
• Feature
• Bug Fix
• Optimization
• Example
• Documentation

Description

Issue:

A user encountered a linker warning during the build:

/usr/bin/ld: warning: libmkl_rt.so.2, needed by libarmadillo.so, not found

This occurred because Armadillo had been linked against Intel MKL, but the MKL runtime (libmkl_rt.so) was not discoverable by the system at runtime. The issue was only resolved when the user manually sourced the Intel oneAPI environment, allowing the linker to find the required MKL libraries.

Resolution:

The CMakeLists.txt was updated to:

• Automatically detect if the Intel oneAPI icpx compiler (CMAKE_CXX_COMPILER_ID == IntelLLVM) is being used.

• If detected:

  • Retrieve MKLROOT from the environment or fallback to a default path.

  • Set BLAS and LAPACK paths to point to MKL.

  • Configure Armadillo to link against MKL without requiring user input.

Related Issues & Documents

• Closes MOLE installation #129

QA Instructions, Screenshots, Recordings

To test the updated CMake configuration with Intel oneAPI compilers, ensure you have the Intel oneAPI toolkit installed and the environment sourced

. /opt/intel/oneapi/setvars.sh

Then,

mkdir build && cd build
cmake .. -DCMAKE_CXX_COMPILER=icpx
make -j

The output file will have the following lines

oneapi@oneapi-Precision-5820-Tower:~/mole/build$ cmake .. -DCMAKE_CXX_COMPILER=icpx
-- The CXX compiler identification is IntelLLVM 2025.1.1
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /opt/intel/oneapi/compiler/2025.1/bin/icpx - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Detected CXX Compiler ID: IntelLLVM
-- Using non-Clang compiler flags.
-- Using MKL from: /opt/intel/oneapi/mkl/2025.1
-- SuperLU CMakeLists.txt after patch: cmake_minimum_required(VERSION 3.10)

Added/updated tests?

• We encourage you to test all code included with MOLE, including examples.

• Yes

• No, and this is why: please replace this line with details on why tests
  have not been included

• I need help with writing tests

Read Contributing Guide and Code of Conduct

• I have read and followed the Contributing Guide and the Code of Conduct