35 lines
1.7 KiB
Python
35 lines
1.7 KiB
Python
# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack.package import *
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class RBio3d(RPackage):
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"""Biological Structure Analysis.
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Utilities to process, organize and explore protein structure, sequence and
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dynamics data. Features include the ability to read and write structure,
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sequence and dynamic trajectory data, perform sequence and structure
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database searches, data summaries, atom selection, alignment,
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superposition, rigid core identification, clustering, torsion analysis,
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distance matrix analysis, structure and sequence conservation analysis,
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normal mode analysis, principal component analysis of heterogeneous
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structure data, and correlation network analysis from normal mode and
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molecular dynamics data. In addition, various utility functions are
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provided to enable the statistical and graphical power of the R environment
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to work with biological sequence and structural data. Please refer to the
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URLs below for more information."""
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cran = "bio3d"
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version("2.4-4", sha256="5654eac10d33e4235ef89292e3b99006d8812b6bfaaa3d6fb540312160fd9de9")
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version("2.4-3", sha256="c6031f0d9033260a938171d0fa70720962e352935eb7bd2ddb9b92b93abe6a74")
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version("2.4-2", sha256="91415766cda0f96557e6bc568dbce8d44254a9460f2e2d0beed0ce14ffad6ccb")
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version("2.4-1", sha256="679fbd87fe9fb82a65427d281d3b68906509e411270cd87d2deb95d404333c1f")
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version("2.3-4", sha256="f9b39ab242cbedafcd98c1732cb1f5c0dd9ef66e28be39695e3420dd93e2bafe")
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depends_on("r@3.1.0:", type=("build", "run"))
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depends_on("r-rcpp", type=("build", "run"))
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