The library is written in Fortran. It is Fortran-90/95-compliant. Fortran 77 compilers are no longer supported. This includes the f2c translator as well.

Requirements

The library requires a Fortran 90/95 compiler, BLAS, and LAPACK. The following compilers and BLAS/LAPACK implementations are tested under Linux. Other operating systems, which are supported by CMAKE, should work as well.

Required CMake Version: 3.18

Tested Fortran compilers:

GNU gfortran >= 9.3
Intel ifort >= 18.0.1
Intel oneAPI ifx >= 2024

The AMD AOCC 5.x compiler compiles the code, but the generated code may contain invalid memory accesses. Please check carefully if the required routines work correctly in your application.

Tested BLAS/LAPACK implementations:

Reference BLAS/LAPACK, http://www.netlib.org/lapack
OpenBLAS, https://www.openblas.net
FlexiBLAS, https://www.mpi-magdeburg.mpg.de/projects/ flexiblas
Intel MKL, https://software.intel.com/en-us/mkl
IBM ESSL (Missing LAPACK routines are automatically added.), https://www.ibm.com/support/knowledgecenter/en/SSFHY8

Configuration and Installation

CMAKE is used to configure the source code. Out-of-source builds are prefered.

The default installation of qrupdate-ng is done by

mkdir -p build && cd build
cmake ../ -DCMAKE_INSTALL_PREFIX=/your/installation/path/
make
make install

The installation can adjusted with the help of the CMAKE options. Beside the standard options of CMAKE, the following ones are supported:

Option	Description
-DDEBUG=OFF/ON	Enable the debug build.
-DHOSTOPT=OFF/ON	Enable host specific compiler flags.
-DENABLE_COVERAGE=OFF/ON	Enable code coverage.
-DFORTRAN_BOUND_CHECK=OFF/ON	Enable the runtime bound checker.
-DFORTRAN_SANITIZE=OFF/ON	Enable the runtime sanitizer.
-DBUILD_SHARED_LIBS=ON/OFF	Enable building of shared libraries.
-DBUILD_STATIC_LIBS=ON/OFF	Enable building of static libraries.

The FORTRAN_BOUND_CHECK option is only supported for gfortran and ifort compilers. The FORTRAN_SANITIZE option can only be used with the gfortran compiler. If the host optimizations are enabled, the build might not be portable to other computers.

The qrupdate-ng code includes a testsuite which can be executed by make test.

ILP64 Binaries

If you need qrupdate-ng with 64 bit integers, i.e. the ILP64 integer model, you can add

-DINTEGER8=ON

to the cmake command line. Since this enables the -fdefault-integer-8 flag (in case of the GNU compilers), this leads to warning during the compilation, since these types of flags are not compatible with the iso_fortran_env module. In future versions of qrupdate, the ILP64 build with be refactored to be portable and compatible with the iso_fortran_env module.

Attention: Enabling the ILP64 build requires at least CMake 3.22

Selecting individual BLAS and LAPACK libraries

By default CMAKE uses the first BLAS and LAPACK library it finds on the system. If a special selection is required, one can either specifiy the BLA_VENDOR vendor option of CMAKE's FindBLAS.cmake module or specify the BLAS and LAPACK libraries completly on ones own.

Possible values for the BLA_VENDOR options can be found in the help of the FindBLAS.cmake module and can be obtained by cmake --help-module FindBLAS.

A custom BLAS and LAPACK library can be specified by setting the BLAS_LIBRRARIES and LAPACK_LIBRARIES variables. The variable contain a semicolon separated list of libraries that are required to provide the BLAS and LAPACK functionality. If a libraries contains both, BLAS and LAPACK, it needs to be set in both variables. An example to use a self-compiled reference BLAS and LAPACK could yield the following CMAKE call:

cmake ../ -DBLAS_LIBRARIES=/home/user/software/libblas.a \
          -DLAPACK_LIBRARIES=/home/user/software/liblapack.a

Cross Compiling for Windows

The build system supports cross compiling from Unix-like operating systems to Windows. Therefore, MingW64 (https://www.mingw-w64.org/) and Wine (https://www.winehq.org/) need to be present on the system. In case of Ubuntu 20.04 the following packages are required:

mingw-w64, mingw-w64-i686-dev , mingw-w64-x86-64-dev
gfortran-mingw-w64-i686, gfortran-mingw-w64-x86-64
wine32, wine64
wget

Furthermore, BLAS and LAPACK are required in the MingW installation. If this is not the case, the reference BLAS and LAPACK library can be installed via

bash ./tools/install-lapack-mingw-i686.sh

for the Windows 32-bit environment, and using

bash ./tools/install-lapack-mingw-x86_64.sh

for the Windows 64-bit environment.

The Windows 32-bit library can then be compiled using

cmake -S . -B build.win32 \
      -DCMAKE_TOOLCHAIN_FILE=$(pwd)/cmake/mingw-w32-i686.cmake \
      -DBUILD_SHARED_LIBS=ON \
      -DCMAKE_INSTALL_PREFIX=$(pwd)/install-win32
make -C build.win32 all
(cd build.win32; ctest -V )
make -C build.win32 install

In case of the 64-bit Windows library, the build process looks like

cmake -S . -B build.win64 \
      -DCMAKE_TOOLCHAIN_FILE=$(pwd)/cmake/mingw-w64-x86_64.cmake \
      -DBUILD_SHARED_LIBS=ON \
      -DCMAKE_INSTALL_PREFIX=$(pwd)/install-win32
make -C build.win64 all
(cd build.win64; ctest -V )
make -C build.win64 install

Documentation

The library uses Doxygen for documenting the source code. If Doxygen is installed in the system, cmake will detect it. After configuring the documentation can bei built using

make doc

and gets available in doc/html.