# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)


from spack.package import *


class Exasp2(MakefilePackage):
    """ExaSP2 is a reference implementation of typical linear algebra algorithms
    and workloads for a quantum molecular dynamics (QMD) electronic structure
    code. The algorithm is based on a recursive second-order Fermi-Operator
    expansion method (SP2) and is tailored for density functional based
    tight-binding calculations of material systems. The SP2 algorithm variants
    are part of the Los Alamos Transferable Tight-binding for Energetics
    (LATTE) code, based on a matrix expansion of the Fermi operator in a
    recursive series of generalized matrix-matrix multiplications. It is
    created and maintained by Co-Design Center for Particle Applications
    (CoPA). The code is intended to serve as a vehicle for co-design by
    allowing others to extend and/or reimplement as needed to test performance
    of new architectures, programming models, etc."""

    homepage = "https://github.com/ECP-copa/ExaSP2"
    url = "https://github.com/ECP-copa/ExaSP2/tarball/v1.0"
    git = "https://github.com/ECP-copa/ExaSP2.git"

    maintainers("junghans")

    tags = ["proxy-app", "ecp-proxy-app"]

    version("develop", branch="master")
    version("1.0", sha256="59986ea70391a1b382d2ed22d5cf013f46c0c15e44ed95dcd875a917adfc6211")

    variant("mpi", default=True, description="Build With MPI Support")

    depends_on("bml")
    depends_on("blas")
    depends_on("lapack")
    depends_on("mpi", when="+mpi")
    depends_on("bml@1.2.3:+mpi", when="+mpi")

    build_directory = "src"

    @property
    def build_targets(self):
        targets = []
        spec = self.spec
        if "+mpi" in spec:
            targets.append("PARALLEL=MPI")
            targets.append("MPICC={0}".format(spec["mpi"].mpicc))
            targets.append("MPI_LIB=-L" + spec["mpi"].prefix.lib + " -lmpi")
            targets.append("MPI_INCLUDE=-I" + spec["mpi"].prefix.include)
        else:
            targets.append("PARALLEL=NONE")
        # NOTE: no blas except for mkl has been properly tested. OpenBlas was
        #   briefly but not rigoruously tested. Using generic blas approach to
        #   meet Spack requirements
        targets.append("BLAS=GENERIC_SPACKBLAS")
        math_libs = str(spec["lapack"].libs)
        math_libs += " " + str(spec["lapack"].libs)
        targets.append("SPACKBLASLIBFLAGS=" + math_libs)
        math_includes = spec["lapack"].prefix.include
        math_includes += " -I" + spec["blas"].prefix.include
        targets.append("SPACKBLASINCLUDES=" + math_includes)
        # And BML
        bml_lib_dirs = spec["bml"].libs.directories[0]
        targets.append("BML_PATH=" + bml_lib_dirs)
        targets.append("--file=Makefile.vanilla")
        return targets

    def install(self, spec, prefix):
        mkdir(prefix.bin)
        mkdir(prefix.doc)
        install("bin/ExaSP2-*", prefix.bin)
        install("LICENSE.md", prefix.doc)
        install("README.md", prefix.doc)