Portfile

# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4

PortSystem          1.0
PortGroup           cmake 1.1
PortGroup           compiler_blacklist_versions 1.0
PortGroup           github 1.0
PortGroup           linear_algebra 1.0
PortGroup           mpi 1.0

github.setup        cp2k dbcsr 2.8.0 v
revision            0
categories          math
license             GPL-2
maintainers         {@barracuda156 gmail.com:vital.had} openmaintainer
description         Distributed Block Compressed Sparse Row matrix library
long_description    DBCSR is a library designed to efficiently perform \
                    sparse matrix-matrix multiplication, among other operations. \
                    It is MPI and OpenMP parallel and can exploit Nvidia and AMD GPUs \
                    via CUDA and HIP.
homepage            https://cp2k.github.io/dbcsr
checksums           rmd160  51fd2a2218c6893a34adf01108cedbdf9d016c15 \
                    sha256  d55e4f052f28d1ed0faeaa07557241439243287a184d1fd27f875c8b9ca6bd96 \
                    size    2474334
github.tarball_from releases
cmake.generator     Ninja

set py_ver          3.11
set py_ver_nodot    [string map {. {}} ${py_ver}]
depends_build-append \
                    port:py${py_ver_nodot}-fypp \
                    port:python${py_ver_nodot}

# We need gcc with this port. See upstream on the compiler choice:
# https://github.com/cp2k/dbcsr/issues/740#issuecomment-1858000876
mpi.setup           require require_fortran \
                    -gcc44 -gcc45 -gcc46 -gcc47 -gcc48 -gcc49 -gcc5 -gcc6 \
                    -clang -fortran

compiler.cxx_standard   2014
compiler.openmp_version 4.5

# Xcode clang on 10.7 fails with error: invalid instruction mnemonic 'cvtsi2sdl'
compiler.blacklist-append {clang < 500}

# OpenBLAS is not properly supported for Apple yet:
# https://github.com/cp2k/dbcsr/issues/645
# It is confirmed to be broken on PPC.
if {[variant_isset accelerate]} {
    patchfiles-append \
                    patch-accelerate.diff
}

# For now, disabling because of this:
# https://github.com/cp2k/dbcsr/issues/645#issuecomment-1382381278
# pre-configure {
#     configure.args-append \
#                     -DMPI_RUN_COMMAND=${prefix}/bin/${mpi.exec} \
#                     -DMPIEXEC_EXECUTABLE=${prefix}/bin/${mpi.exec} \
# }

# Needed in order for correct version of BLAS to be picked.
# See also: https://trac.macports.org/ticket/66714
pre-configure {
    configure.args-append ${cmake_linalglib}
    if {[variant_isset openblas]} {
        # PG passes only -DBLA_VENDOR=OpenBLAS, but it is not recognized by configure:
        # https://github.com/macports/macports-ports/pull/17394#issuecomment-1397688236
        # Pass args manually:
        configure.args-append  \
                    -DBLAS_LIBRARIES=${prefix}/lib/libopenblas.dylib \
                    -DLAPACK_LIBRARIES=${prefix}/lib/libopenblas.dylib
    }
}

configure.args-append \
                    -DPython_EXECUTABLE=${prefix}/bin/python${py_ver} \
                    -DFYPP_EXECUTABLE=${prefix}/bin/fypp-${py_ver} \
                    -DUSE_MPI=ON \
                    -DUSE_MPI_F08=ON \
                    -DUSE_OPENMP=ON \
                    -DUSE_SMM=blas \
                    -DWITH_C_API=ON \
                    -DWITH_CUDA_PROFILING=OFF \
                    -DBUILD_TESTING=OFF \
                    -DTEST_OMP_THREADS=2 \
                    -DTEST_MPI_RANKS=4 \
                    -DWITH_EXAMPLES=OFF

# https://github.com/cp2k/dbcsr/issues/645#issuecomment-1397645624
if {${os.platform} eq "darwin" && ${os.major} < 11} {
    configure.args-replace \
                    -DTEST_MPI_RANKS=4 -DTEST_MPI_RANKS=2
}

variant tests description "Enable testing" {

    configure.pre_args-replace \
                    -DCMAKE_BUILD_WITH_INSTALL_RPATH:BOOL=ON \
                    -DCMAKE_BUILD_WITH_INSTALL_RPATH:BOOL=OFF

    configure.args-replace \
                    -DDBUILD_TESTING=OFF DBUILD_TESTING=ON

    pre-test {
        # test infrastructure uses /bin/ps, which is forbidden by sandboxing
        append portsandbox_profile " (allow process-exec (literal \"/bin/ps\") (with no-profile))"
    }

    test.run        yes
    test.cmd        ctest
}