libactionet

libactionet is the C++ backend for ACTIONet, providing high-performance kernels for graph-based dimensionality reduction, decomposition, and annotation. It is used by both the Python (actionet-python) and R (actionet) frontends.

System Requirements

• macOS 11+ (arm64 or x86_64) or Linux (manylinux2014+ / glibc ≥ 2.17 on x86_64).
• CMake ≥ 3.19.
• C++17 compiler:
  • macOS: Apple Clang or LLVM Clang; supports Accelerate by default.
  • Linux: GCC or Clang; manylinux-compatible flags are used by default.
• BLAS/LAPACK:
  • MKL preferred when available; otherwise generic/system BLAS (can be OpenBLAS/Accelerate/etc.).
  • SuiteSparse/CHOLMOD (development headers and libs).
• OpenMP runtime:
  • GNU (libgomp) is the default on non-Apple.
  • Apple builds use Homebrew libomp if available.
  • INTEL or SEQUENTIAL threading can be requested explicitly.

Build Configuration (CMake)

Key CMake options (with defaults):

• BLA_VENDOR (All): BLAS/LAPACK vendor. If unset and MKL is detected, it defaults to Intel10_64lp (non-R builds).
• MKL_THREADING (unset): When set to GNU|INTEL|SEQUENTIAL and MKL libs are found, libactionet links explicitly to the chosen threading variant (mkl_gnu_thread, mkl_intel_thread, or mkl_sequential) along with mkl_intel_lp64 and mkl_core. This prevents accidental linkage to mkl_intel_thread when GNU OMP is desired.
• LIBACTIONET_OPENMP_RUNTIME (AUTO): AUTO|GNU|INTEL|LLVM|OFF. AUTO defaults to GNU unless using Intel compilers. R builds ignore this and use R’s OpenMP flags.
• LIBACTIONET_OPENMP_CXXFLAGS / LIBACTIONET_OPENMP_LDFLAGS (empty): Used by the R build to pass SHLIB_OPENMP_* flags into the static library build.
• LIBACTIONET_BUILD_R (OFF): Enable R integration mode (set by the R wrapper).
• TARGET_ARCHITECTURE (macOS/R builds): Set by the R configure script to match R’s target arch; used for Apple-specific paths.
• CMAKE_INTERPROCEDURAL_OPTIMIZATION (OFF): Enable LTO/IPO if your toolchain supports it.

OpenMP behavior:

• Non-R builds: AUTO ⇒ GNU (if found) → LLVM/Clang fallback via find_package(OpenMP). INTEL searches libiomp5; OFF disables OpenMP.
• R builds: The R package passes SHLIB_OPENMP_* into these cache vars. If empty, OpenMP is disabled for the static library.
• MKL mixing: If MKL is detected and a non-Intel OpenMP runtime is selected, a warning is emitted. Use MKL_THREADING_LAYER=GNU with mkl_rt or MKL_THREADING=GNU to keep a single runtime.

BLAS behavior:

• MKL is preferred when detectable (MKLROOT, libmkl_rt). With MKL_THREADING set, an explicit MKL link line is used to avoid unintended mkl_intel_thread.
• Apple: Accelerate is supported and detected.
• Generic/system BLAS is used otherwise; cblas.h is searched in common system/conda/Homebrew paths.

Building Standalone (C++)

mkdir -p build && cd build
cmake -DCMAKE_BUILD_TYPE=Release ..    # add -DBLA_VENDOR=Intel10_64lp -DMKL_THREADING=GNU if desired
cmake --build . -j$(nproc)

R Package Build Notes

• The R wrapper’s configure script passes R’s SHLIB_OPENMP_* into LIBACTIONET_OPENMP_*. If R reports no OpenMP flags, libactionet is built without OpenMP.
• BLAS/LAPACK come from R (R CMD config BLAS_LIBS/LAPACK_LIBS) unless the user overrides BLA_VENDOR.
• On macOS, Accelerate is the default via R; OpenMP requires an OpenMP-enabled R toolchain (e.g., LLVM + libomp).

Python Package Build Notes

• actionet-python includes libactionet as a submodule and is automatically installed.
• A typical install with custom build options:

  pip install .                        # defaults
  # or, to force MKL GNU threading:
  MKL_THREADING_LAYER=GNU pip install . -C cmake.define.MKL_THREADING=GNU
  # or to switch OpenMP runtime:
  pip install . -C cmake.define.LIBACTIONET_OPENMP_RUNTIME=INTEL
  # to mirror R’s native-tuned builds (when portability is not required):
  pip install . -C cmake.define.MKL_THREADING=INTEL \
                   -C cmake.define.LIBACTIONET_OPENMP_RUNTIME=INTEL \
                   -C cmake.define.CMAKE_CXX_FLAGS="-march=native -mtune=native -O3 -ffp-contract=fast -funroll-loops -fomit-frame-pointer -fno-strict-aliasing" \
                   -C cmake.define.CMAKE_INTERPROCEDURAL_OPTIMIZATION=ON

• Ensure libcholmod is available (system or conda).

Conda Environments

• If MKL is present, it will be preferred. To avoid libiomp5 when using GNU OpenMP, set MKL_THREADING_LAYER=GNU and/or MKL_THREADING=GNU so the link line uses mkl_gnu_thread.
• Ensure mkl-include is installed if building against MKL.

Troubleshooting

• Mixed OpenMP runtimes (GNU vs Intel) can cause crashes in rare cases.
  • Align runtimes: use MKL_THREADING=GNU or LIBACTIONET_OPENMP_RUNTIME=INTEL consistently.
• Missing cblas.h: install BLAS dev headers (MKL, OpenBLAS, Accelerate SDK), if not in standard paths.
• Missing CHOLMOD: install SuiteSparse development packages.