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# 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 Tmalign(Package):
"""TM-align is an algorithm for sequence-order independent protein
structure comparisons."""
homepage = "https://zhanggroup.org/TM-align/"
url = "https://zhanggroup.org/TM-align/TMalign.cpp"
maintainers("snehring")
version(
"20220412",
sha256="09227c46705ca8cf7c922a6e1672c34d7ed4daba32e5c7c484306808db54117a",
expand=False,
)
version(
"2016-05-25",
sha256="ce7f68289f3766d525afb0a58e3acfc28ae05f538d152bd33d57f8708c60e2af",
url="http://zhanglab.ccmb.med.umich.edu/TM-align/TM-align-C/TMalignc.tar.gz",
deprecated=True,
)
variant("fast-math", default=False, description="Enable fast math", when="@20220412:")
with when("@20220412:"):
phases = ["build", "install"]
def build(self, spec, prefix):
cxx = Executable(self.compiler.cxx)
args = ["-O3"]
if spec.satisfies("+fast-math"):
args.append("-ffast-math")
args.extend(["-lm", "-o", "TMalign", "TMalign.cpp"])
cxx(*args)
def install(self, spec, prefix):
mkdirp(prefix.bin)
install("TMalign", prefix.bin)
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