NumPy

Building from source

A general overview of building NumPy from source is given here, with detailed instructions for specific platforms given separately.

Prerequisites

Building NumPy requires the following software installed:

  1. Python 3.6.x or newer

    Please note that the Python development headers also need to be installed, e.g., on Debian/Ubuntu one needs to install both python3 and python3-dev. On Windows and macOS this is normally not an issue.

  2. Compilers

    To build any extension modules for Python, you’ll need a C compiler. Various NumPy modules use FORTRAN 77 libraries, so you’ll also need a FORTRAN 77 compiler installed.

    Note that NumPy is developed mainly using GNU compilers. Compilers from other vendors such as Intel, Absoft, Sun, NAG, Compaq, Vast, Portland, Lahey, HP, IBM, Microsoft are only supported in the form of community feedback, and may not work out of the box. GCC 4.x (and later) compilers are recommended.

  3. Linear Algebra libraries

    NumPy does not require any external linear algebra libraries to be installed. However, if these are available, NumPy’s setup script can detect them and use them for building. A number of different LAPACK library setups can be used, including optimized LAPACK libraries such as OpenBLAS or MKL.

  4. Cython

    For building NumPy, you’ll need a recent version of Cython.

Basic Installation

To install NumPy, run:

pip install .

To perform an in-place build that can be run from the source folder run:

python setup.py build_ext --inplace

Note: for build instructions to do development work on NumPy itself, see Setting up and using your development environment.

Testing

Make sure to test your builds. To ensure everything stays in shape, see if all tests pass:

$ python runtests.py -v -m full

For detailed info on testing, see Testing builds.

Parallel builds

It’s possible to do a parallel build with:

python setup.py build -j 4 install --prefix $HOME/.local

This will compile numpy on 4 CPUs and install it into the specified prefix. to perform a parallel in-place build, run:

python setup.py build_ext --inplace -j 4

The number of build jobs can also be specified via the environment variable NPY_NUM_BUILD_JOBS.

Choosing the fortran compiler

Compilers are auto-detected; building with a particular compiler can be done with --fcompiler. E.g. to select gfortran:

python setup.py build --fcompiler=gnu95

For more information see:

python setup.py build --help-fcompiler

How to check the ABI of BLAS/LAPACK libraries

One relatively simple and reliable way to check for the compiler used to build a library is to use ldd on the library. If libg2c.so is a dependency, this means that g77 has been used (note: g77 is no longer supported for building NumPy). If libgfortran.so is a dependency, gfortran has been used. If both are dependencies, this means both have been used, which is almost always a very bad idea.

Accelerated BLAS/LAPACK libraries

NumPy searches for optimized linear algebra libraries such as BLAS and LAPACK. There are specific orders for searching these libraries, as described below.

BLAS

The default order for the libraries are:

  1. MKL

  2. BLIS

  3. OpenBLAS

  4. ATLAS

  5. Accelerate (MacOS)

  6. BLAS (NetLIB)

If you wish to build against OpenBLAS but you also have BLIS available one may predefine the order of searching via the environment variable NPY_BLAS_ORDER which is a comma-separated list of the above names which is used to determine what to search for, for instance:

NPY_BLAS_ORDER=ATLAS,blis,openblas,MKL python setup.py build

will prefer to use ATLAS, then BLIS, then OpenBLAS and as a last resort MKL. If neither of these exists the build will fail (names are compared lower case).

LAPACK

The default order for the libraries are:

  1. MKL

  2. OpenBLAS

  3. libFLAME

  4. ATLAS

  5. Accelerate (MacOS)

  6. LAPACK (NetLIB)

If you wish to build against OpenBLAS but you also have MKL available one may predefine the order of searching via the environment variable NPY_LAPACK_ORDER which is a comma-separated list of the above names, for instance:

NPY_LAPACK_ORDER=ATLAS,openblas,MKL python setup.py build

will prefer to use ATLAS, then OpenBLAS and as a last resort MKL. If neither of these exists the build will fail (names are compared lower case).

Disabling ATLAS and other accelerated libraries

Usage of ATLAS and other accelerated libraries in NumPy can be disabled via:

NPY_BLAS_ORDER= NPY_LAPACK_ORDER= python setup.py build

or:

BLAS=None LAPACK=None ATLAS=None python setup.py build

64-bit BLAS and LAPACK

You can tell Numpy to use 64-bit BLAS/LAPACK libraries by setting the environment variable:

NPY_USE_BLAS_ILP64=1

when building Numpy. The following 64-bit BLAS/LAPACK libraries are supported:

  1. OpenBLAS ILP64 with 64_ symbol suffix (openblas64_)

  2. OpenBLAS ILP64 without symbol suffix (openblas_ilp64)

The order in which they are preferred is determined by NPY_BLAS_ILP64_ORDER and NPY_LAPACK_ILP64_ORDER environment variables. The default value is openblas64_,openblas_ilp64.

Note

Using non-symbol-suffixed 64-bit BLAS/LAPACK in a program that also uses 32-bit BLAS/LAPACK can cause crashes under certain conditions (e.g. with embedded Python interpreters on Linux).

The 64-bit OpenBLAS with 64_ symbol suffix is obtained by compiling OpenBLAS with settings:

make INTERFACE64=1 SYMBOLSUFFIX=64_

The symbol suffix avoids the symbol name clashes between 32-bit and 64-bit BLAS/LAPACK libraries.

Supplying additional compiler flags

Additional compiler flags can be supplied by setting the OPT, FOPT (for Fortran), and CC environment variables. When providing options that should improve the performance of the code ensure that you also set -DNDEBUG so that debugging code is not executed.