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# Copyright 2013-2023 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)
import os
from spack.package import *
from spack.pkg.builtin.boost import Boost
class Cantera(SConsPackage):
"""Cantera is a suite of object-oriented software tools for problems
involving chemical kinetics, thermodynamics, and/or transport processes."""
homepage = "https://www.cantera.org/docs/sphinx/html/index.html"
url = "https://github.com/Cantera/cantera/archive/v2.5.1.tar.gz"
version("2.5.1", sha256="59f673cec686bc9b1eeccc1b1c9158a3978a3abe7491d00e8b355908c1c3be0a")
version("2.4.0", sha256="0dc771693b657d8f4ba835dd229939e5b9cfd8348d2f5ba82775451a524365a5")
version("2.3.0", sha256="06624f0f06bdd2acc9c0dba13443d945323ba40f68a9d422d95247c02e539b57")
version("2.2.1", sha256="c7bca241848f541466f56e479402521c618410168e8983e2b54ae48888480e1e")
variant("python", default=False, description="Build the Cantera Python module")
variant("matlab", default=False, description="Build the Cantera Matlab toolbox")
variant("sundials", default=True, description="Build with Sundials")
# Required dependencies
depends_on("fmt@3.0.0:3.0.2", when="@2.3.0:")
depends_on("googletest+gmock", when="@2.3.0:")
depends_on("eigen", when="@2.3.0:")
# TODO: replace this with an explicit list of components of Boost,
# for instance depends_on('boost +filesystem')
# See https://github.com/spack/spack/pull/22303 for reference
depends_on(Boost.with_default_variants)
depends_on("sundials@:3.1.2+lapack", when="+sundials") # must be compiled with -fPIC
depends_on("blas")
depends_on("lapack")
depends_on("yaml-cpp")
# Python module dependencies
extends("python", when="+python")
depends_on("py-cython", when="+python", type="build")
depends_on("py-numpy", when="+python", type=("build", "run"))
depends_on("py-scipy", when="+python", type=("build", "run"))
depends_on("py-3to2", when="+python", type=("build", "run"))
# Matlab toolbox dependencies
extends("matlab", when="+matlab")
conflicts("~sundials", when="@2.3.0:")
def build_args(self, spec, prefix):
# Valid args can be found by running `scons help`
# Required args
args = [
"build",
"prefix={0}".format(prefix),
"VERBOSE=yes",
"CC={0}".format(spack_cc),
"CXX={0}".format(spack_cxx),
"FORTRAN={0}".format(spack_fc),
"cc_flags={0}".format(self.compiler.cc_pic_flag),
# Allow Spack environment variables to propagate through to SCons
"env_vars=all",
]
if spec.satisfies("@:2.2.1"):
args.append("F77={0}".format(spack_f77))
# fmt support
if spec.satisfies("@2.3.0:"):
args.append("system_fmt=y")
# Googletest support
if spec.satisfies("@2.3.0:"):
args.append("system_googletest=y")
# Eigen support
if spec.satisfies("@2.3.0:"):
args.extend(
[
"system_eigen=y",
"extra_inc_dirs={0}".format(
join_path(
spec["eigen"].prefix.include,
"eigen{0}".format(spec["eigen"].version.up_to(1)),
)
),
]
)
# BLAS/LAPACK support
lapack_blas = spec["lapack"].libs + spec["blas"].libs
args.extend(
[
"blas_lapack_libs={0}".format(",".join(lapack_blas.names)),
"blas_lapack_dir={0}".format(spec["lapack"].prefix.lib),
]
)
# Boost support
if spec.satisfies("@2.3.0:"):
args.append("boost_inc_dir={0}".format(spec["boost"].prefix.include))
else:
args.extend(
[
"build_thread_safe=yes",
"boost_inc_dir={0}".format(spec["boost"].prefix.include),
"boost_lib_dir={0}".format(spec["boost"].prefix.lib),
]
)
# Sundials support
if "+sundials" in spec:
if spec.satisfies("@2.3.0:"):
args.append("system_sundials=y")
else:
args.extend(
[
"use_sundials=y",
"sundials_license={0}".format(spec["sundials"].prefix.LICENSE),
]
)
args.extend(
[
"sundials_include={0}".format(spec["sundials"].prefix.include),
"sundials_libdir={0}".format(spec["sundials"].prefix.lib),
]
)
# Python module
if "+python" in spec:
args.extend(
["python_package=full", "python_cmd={0}".format(spec["python"].command.path)]
)
if spec["python"].satisfies("@3:"):
args.extend(
["python3_package=y", "python3_cmd={0}".format(spec["python"].command.path)]
)
else:
args.append("python3_package=n")
else:
args.append("python_package=none")
args.append("python3_package=n")
# Matlab toolbox
if "+matlab" in spec:
args.extend(["matlab_toolbox=y", "matlab_path={0}".format(spec["matlab"].prefix)])
else:
args.append("matlab_toolbox=n")
return args
def build_test(self):
if "+python" in self.spec:
# Tests will always fail if Python dependencies aren't built
# In addition, 3 of the tests fail when run in parallel
scons("test", parallel=False)
@run_after("install")
def filter_compilers(self):
"""Run after install to tell the Makefile and SConstruct files to use
the compilers that Spack built the package with.
If this isn't done, they'll have CC, CXX, F77, and FC set to Spack's
generic cc, c++, f77, and f90. We want them to be bound to whatever
compiler they were built with."""
kwargs = {"ignore_absent": True, "backup": False, "string": True}
dirname = os.path.join(self.prefix, "share/cantera/samples")
cc_files = [
"cxx/rankine/Makefile",
"cxx/NASA_coeffs/Makefile",
"cxx/kinetics1/Makefile",
"cxx/flamespeed/Makefile",
"cxx/combustor/Makefile",
"f77/SConstruct",
]
cxx_files = [
"cxx/rankine/Makefile",
"cxx/NASA_coeffs/Makefile",
"cxx/kinetics1/Makefile",
"cxx/flamespeed/Makefile",
"cxx/combustor/Makefile",
]
f77_files = ["f77/Makefile", "f77/SConstruct"]
fc_files = ["f90/Makefile", "f90/SConstruct"]
for filename in cc_files:
filter_file(
os.environ["CC"], self.compiler.cc, os.path.join(dirname, filename), **kwargs
)
for filename in cxx_files:
filter_file(
os.environ["CXX"], self.compiler.cxx, os.path.join(dirname, filename), **kwargs
)
for filename in f77_files:
filter_file(
os.environ["F77"], self.compiler.f77, os.path.join(dirname, filename), **kwargs
)
for filename in fc_files:
filter_file(
os.environ["FC"], self.compiler.fc, os.path.join(dirname, filename), **kwargs
)
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