Intel® oneAPI Math Kernel Library (oneMKL) is a highly optimized, extensively threaded math library for high-performance computing. The `mkl-include` package provides the C and Data Parallel C++ (DPC++) programming language interfaces (header files) required for building applications and other libraries that link against oneMKL. It helps optimize numerical routines for Intel® CPUs and GPUs. The current version is 2025.3.1, with frequent releases aligning with the Intel oneAPI toolkit cadence.
pip install mkl-includeVerified import paths — ran on the pinned version, not inferred.
The `mkl-include` package itself is not directly used in Python code. Instead, it provides the necessary build-time headers for other Python libraries (like NumPy or SciPy) to be compiled and linked against the Intel oneMKL for performance acceleration. This quickstart demonstrates how to check if NumPy is utilizing MKL (e.g., via `mkl-service`) and how to use `mkl-service` for runtime control over MKL behavior within Python.
After installation, locate the MKL directory (e.g., in your Python environment or oneAPI installation) and set `MKLROOT` to point to it. For example, `export MKLROOT=/path/to/intel/oneapi/mkl/latest` in bash, or update system environment variables.
Upgrade to oneMKL version 2025.0.1 or later. Alternatively, for non-Intel CPUs, consider setting `MKL_DEBUG_CPU_TYPE=5` as an environment variable to force a Haswell/Broadwell code path, potentially improving performance over the default SSE2 fallback.
Review Intel oneMKL documentation for updated SYCL* DFT API usage and alternative parameters if you are directly programming with these APIs.
Ensure consistent use of either NumPy's or SciPy's linear algebra functions. If using SciPy BLAS, `MKL_INTERFACE_LAYER=GNU` should be set.