summaryrefslogtreecommitdiff
path: root/var/spack/repos/builtin/packages/mptensor/package.py
blob: 3fcae8fc5be9a9301e46901cde95db5162bb4d1e (plain) (blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
# 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 Mptensor(CMakePackage):
    """mptensor is parallel C++ libarary for tensor calculations.
    It provides similar interfaces as Numpy and Scipy in Python."""

    homepage = "https://github.com/smorita/mptensor"
    url = "https://github.com/smorita/mptensor/archive/v0.3.0.tar.gz"

    license("LGPL-3.0-or-later")

    version("0.3.0", sha256="819395a91551bddb77958615042fcb935a4b67ee37f912b9a2ca5b49c71befae")

    variant("mpi", default=False, description="Build with MPI library")
    variant("doc", default=False, description="build documentation with Doxygen")

    depends_on("cmake@3.6:", type="build")
    depends_on("mpi", when="+mpi")
    depends_on("blas")
    depends_on("lapack")
    depends_on("scalapack", when="+mpi")
    depends_on("doxygen@:1.8.11", type="build", when="+doc")

    test_requires_compiler = True

    def cmake_args(self):
        spec = self.spec
        options = []

        if "+mpi" in spec:
            options.extend(
                [
                    "-DCMAKE_C_COMPILER=%s" % spec["mpi"].mpicc,
                    "-DCMAKE_CXX_COMPILER=%s" % spec["mpi"].mpicxx,
                    "-DCMAKE_Fortran_COMPILER=%s" % spec["mpi"].mpifc,
                    "-DSCALAPACK_LIBRARIES=%s" % spec["scalapack"].libs,
                ]
            )
        else:
            options.extend(
                [
                    "-DCMAKE_C_COMPILER=%s" % spack_cc,
                    "-DCMAKE_CXX_COMPILER=%s" % spack_cxx,
                    "-DCMAKE_Fortran_COMPILER=%s" % spack_fc,
                ]
            )

        blas = spec["blas"].libs
        lapack = spec["lapack"].libs
        options.extend(
            [
                "-DLAPACK_LIBRARIES=%s" % ";".join(lapack),
                "-DBLAS_LIBRARIES=%s" % ";".join(blas),
                self.define_from_variant("ENABLE_MPI", "mpi"),
                self.define_from_variant("BUILD_DOC", "doc"),
            ]
        )

        return options

    @run_after("install")
    def setup_build_tests(self):
        """Copy the build test files after the package is installed to an
        install test subdirectory for use during `spack test run`."""
        self.cache_extra_test_sources(".")

    def test(self):
        if "+mpi" not in self.spec:
            print("Test of mptensor only runs with +mpi option.")
        else:
            with working_dir(join_path(self.install_test_root, "tests"), create=False):
                make("clean")
                makefile = FileFilter("Makefile")
                makefile.filter("g++", "{0}".format(spack_cxx), string=True)

            with working_dir(join_path(self.install_test_root), create=False):
                makefile = FileFilter("Makefile.option")
                makefile.filter("CXX =.*", "CXX ={0}".format(self.spec["mpi"].mpicxx))
                makefile.filter("CXXFLAGS =.*", "CXXFLAGS ={0}".format(self.compiler.cxx11_flag))

            math_libs = (
                self.spec["scalapack"].libs + self.spec["lapack"].libs + self.spec["blas"].libs
            )

            with working_dir(join_path(self.install_test_root, "tests"), create=False):
                make("LDFLAGS={0}".format(math_libs.ld_flags))

                mpirun = self.spec["mpi"].prefix.bin.mpirun
                mpiexec = Executable(mpirun)
                mpiexec("-n", "1", "tensor_test.out")

                # Test of mptensor has checker
                # and checker is abort when check detect any errors.
                print("Test of mptensor PASSED !")