enhance SuperLU easyblock to support building on top of FlexiBLAS and be compatible with SuperLU v5.3

[sassy-crick]

(created using eb --new-pr)

[ocaisa]

    def configure_step(self):
        """
        Set the CMake options for SuperLU
        """
        # Make sure not to build the slow BLAS library included in the package
        self.cfg.update('configopts', '-Denable_blaslib=OFF')

        # Set the BLAS library to use
        # For this, use the BLA_VENDOR option from the FindBLAS module of CMake
        # Check for all possible values at https://cmake.org/cmake/help/latest/module/FindBLAS.html
        toolchain_blas_list = self.toolchain.definition().get('BLAS', None)
        if toolchain_blas_list is None:
            # This toolchain has no BLAS library
            raise EasyBuildError("No BLAS library found in the toolchain")

        toolchain_blas = toolchain_blas_list[0]
        cmake_version = get_software_version('cmake')
        if toolchain_blas == 'imkl':
            imkl_version = get_software_version('imkl')
            if LooseVersion(imkl_version) >= LooseVersion('10'):
                # 'Intel10_64lp' -> For Intel mkl v10 64 bit,lp thread model, lp64 model
                # It should work for Intel MKL 10 and above, as long as the library names stay the same
                # SuperLU requires thread, 'Intel10_64lp_seq' will not work!
                self.cfg.update('configopts', '-DBLA_VENDOR="Intel10_64lp"')

            else:
                # 'Intel' -> For older versions of mkl 32 and 64 bit
                self.cfg.update('configopts', '-DBLA_VENDOR="Intel"')

        elif toolchain_blas in ['ACML', 'ATLAS']:
            self.cfg.update('configopts', '-DBLA_VENDOR="%s"' % toolchain_blas)

        elif toolchain_blas == 'OpenBLAS':
            if LooseVersion(cmake_version) >= LooseVersion('3.6'):
                self.cfg.update('configopts', '-DBLA_VENDOR="%s"' % toolchain_blas)
            else:
                # Unfortunately, OpenBLAS is not recognized by FindBLAS from CMake,
                # we have to specify the OpenBLAS library manually
                openblas_lib = os.path.join(get_software_root('OpenBLAS'), get_software_libdir('OpenBLAS'), "libopenblas.a")
                self.cfg.update('configopts', '-DBLAS_LIBRARIES="%s;-pthread"' % openblas_lib)

        elif toolchain_blas == 'FlexiBLAS':
            if LooseVersion(cmake_version) >= LooseVersion('3.19'):
                self.cfg.update('configopts', '-DBLA_VENDOR="%s"' % toolchain_blas)
            else:
                # Unfortunately, FlexiBLAS is not recognized by FindBLAS from CMake,
                # we have to specify the FlexiBLAS library manually
                flexiblas_lib = os.path.join(get_software_root('FlexiBLAS'), get_software_libdir('FlexiBLAS'), 
                "libflexiblas.so")
                self.cfg.update('configopts', '-DBLAS_LIBRARIES="%s;-pthread"' % flexiblas_lib)

        else:
            # This BLAS library is not supported yet
            raise EasyBuildError("BLAS library '%s' is not supported yet", toolchain_blas)

        super(EB_SuperLU, self).configure_step()

[ocaisa]

Style fixes

[ocaisa]

@sassy-crick You need to ok my suggestions above to update the PR (and get the tests to pass)

[sassy-crick]

We might need to think about whether the change from extra_vars['build_shared_libs'][0] = False to extra_vars['build_shared_libs'][0] = True might break things with older versions. Also, if we are going for the shared_libs we need to make sure that the static libs are also build.

[ocaisa]

Test report by @ocaisa

Overview of tested easyconfigs (in order)

• SUCCESS SuperLU-5.2.2-foss-2020a.eb
• SUCCESS SuperLU-5.2.2-intel-2020a.eb

Build succeeded for 2 out of 2 (2 easyconfigs in total)
login1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2690 v3 @ 2.60GHz, Python 3.6.8
See https://gist.github.com/d7389a7b14a7feeace5d2d7c3b99a490 for a full test report.

[sassy-crick]

Thanks for your help! I am sure one day I understand Python! :-)

[ocaisa]

Test report by @ocaisa

Overview of tested easyconfigs (in order)

• SUCCESS SuperLU-5.2.2-foss-2020a.eb
• SUCCESS SuperLU-5.2.2-intel-2020a.eb

Build succeeded for 2 out of 2 (2 easyconfigs in total)
login1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2690 v3 @ 2.60GHz, Python 3.6.8
See https://gist.github.com/73a822f1084845858bfba4f8d15e97ab for a full test report.

[ocaisa]

Tested with FlexiBLAS, OpenBLAS and MKL