# 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 BigdftFutile(AutotoolsPackage, CudaPackage): """BigDFT-futile: a library handling most common FORTRAN low-level operations, like memory managment, profiling routines, I/O operations. It also supports yaml output and parsing for fortran programs. It also provides wrappers routines to MPI and linear algebra operations. This library is intensively used in BigDFT packages.""" homepage = "https://bigdft.org/" url = "https://gitlab.com/l_sim/bigdft-suite/-/archive/1.9.2/bigdft-suite-1.9.2.tar.gz" git = "https://gitlab.com/l_sim/bigdft-suite.git" version("develop", branch="devel") version("1.9.4", sha256="fa22115e6353e553d2277bf054eb73a4710e92dfeb1ed9c5bf245337187f393d") version("1.9.3", sha256="f5f3da95d7552219f94366b4d2a524b2beac988fb2921673a65a128f9a8f0489") version("1.9.2", sha256="dc9e49b68f122a9886fa0ef09970f62e7ba21bb9ab1b86be9b7d7e22ed8fbe0f") version("1.9.1", sha256="3c334da26d2a201b572579fc1a7f8caad1cbf971e848a3e10d83bc4dc8c82e41") version("1.9.0", sha256="4500e505f5a29d213f678a91d00a10fef9dc00860ea4b3edf9280f33ed0d1ac8") variant("mpi", default=True, description="Enable MPI support") variant("openmp", default=True, description="Enable OpenMP support") variant( "shared", default=True, description="Build shared libraries" ) # Not default in bigdft, but is typically the default expectation depends_on("autoconf", type="build") depends_on("automake", type="build") depends_on("libtool", type="build") depends_on("python@3.0:", type=("build", "run")) depends_on("blas") depends_on("lapack") depends_on("libyaml") depends_on("py-pyyaml") depends_on("mpi", when="+mpi") configure_directory = "futile" def configure_args(self): spec = self.spec prefix = self.prefix linalg = [spec["blas"].libs.ld_flags, spec["lapack"].libs.ld_flags] python_version = spec["python"].version.up_to(2) pyyaml = join_path(spec["py-pyyaml"].prefix.lib, f"python{python_version}") openmp_flag = [] if "+openmp" in spec: openmp_flag.append(self.compiler.openmp_flag) args = [ f"FCFLAGS={' '.join(openmp_flag)}", f"--with-ext-linalg={' '.join(linalg)}", f"--with-yaml-path={spec['libyaml'].prefix}", f"--with-pyyaml-path={pyyaml}", f"--prefix={prefix}", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") if "+openmp" in spec: args.append("--with-openmp") else: args.append("--without-openmp") if "+mpi" in spec: args.append(f"CC={spec['mpi'].mpicc}") args.append(f"CXX={spec['mpi'].mpicxx}") args.append(f"FC={spec['mpi'].mpifc}") args.append(f"F90={spec['mpi'].mpifc}") args.append(f"F77={spec['mpi'].mpif77}") else: args.append("--disable-mpi") if "+cuda" in spec: args.append("--enable-opencl") args.append(f"--with-ocl-path={spec['cuda'].prefix}") args.append("--enable-cuda-gpu") args.append(f"--with-cuda-path={spec['cuda'].prefix}") return args @property def libs(self): shared = "+shared" in self.spec return find_libraries("libfutile-*", root=self.prefix, shared=shared, recursive=True)