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-rw-r--r--var/spack/repos/builtin/packages/tmscore/package.py38
1 files changed, 38 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/tmscore/package.py b/var/spack/repos/builtin/packages/tmscore/package.py
new file mode 100644
index 0000000000..334b2cecc3
--- /dev/null
+++ b/var/spack/repos/builtin/packages/tmscore/package.py
@@ -0,0 +1,38 @@
+# 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)
+
+from spack.package import *
+
+
+class Tmscore(Package):
+ """TM-score is a metric for assessing the topological similarity of
+ protein structures."""
+
+ homepage = "https://zhanggroup.org/TM-score/"
+ url = "https://zhanggroup.org/TM-score/TMscore.cpp"
+
+ maintainers("snehring")
+
+ version(
+ "20220227",
+ sha256="30274251f4123601af102cf6d4f1a9cc496878c1ae776702f554e2fc25658d7f",
+ expand=False,
+ )
+
+ variant("fast-math", default=False)
+
+ 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", "TMscore", "TMscore.cpp"])
+ cxx(*args)
+
+ def install(self, spec, prefix):
+ mkdirp(prefix.bin)
+ install("TMscore", prefix.bin)