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# Copyright 2013-2022 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 Rdkit(CMakePackage):
"""RDKit is a collection of cheminformatics and machine-learning
software written in C++ and Python."""
homepage = "https://www.rdkit.org"
url = "https://github.com/rdkit/rdkit/archive/refs/tags/Release_2021_03_2.tar.gz"
maintainers = ['bvanessen']
version('2021_09_5', sha256='f720b3f6292c4cd0a412a073d848ffac01a43960082e33ee54b68798de0cbfa1')
version('2021_09_4', sha256='ce192e85bbdc1dcf24d327197229099c8625ee20ef022fcbd980791fdbfc7203')
version('2021_09_3', sha256='3d9d47e9ea3f7563ca83bf24fc6d3419c3892ea77d831e1cf68d81f602ad1afc')
version('2021_09_2', sha256='1a6b41e4c5e2f1a98acfc9c0aa46aa32a97323f0531457d69fcdc70c4a964140')
version('2021_09_1b1', sha256='114935d980c4c52a1113aae26cd752dac6f24559b3098482663855f1b8c3e2a3')
version('2021_09_1', sha256='4d8d38adebdb0da51171ba67c6664555cb33d3fb5c62e35c8562d799dd812761')
version('2021_03_5', sha256='ee7ed4189ab03cf805ab9db59121ab3ebcba4c799389d053046d7cab4dd8401e')
version('2021_03_4', sha256='bed309df7f1e2ea25736a986cf951325681142ee49468b1c62d020a109d2ef52')
version('2021_03_3', sha256='e95f07adaee9280df077cb147210ee75e16957d81687ab0836d62ebf1f6f715f')
version('2021_03_2', sha256='9907a745405cc915c65504046e446199f8ad03d870714de57c27d3738f330fe4')
version('2021_03_1b1', sha256='2cd0673b289ba756c76a1bf57cf19e147ac4a9f6ecf9e79cc3dd86c8d39be414')
version('2021_03_1', sha256='9495f797a54ac70b3b6e12776de7d82acd7f7b5d5f0cc1f168c763215545610b')
version('2020_09_5', sha256='85cec9618e7ef6365b9b908ed674c073d898b6627521cc7fd8c2e05fea8a5def')
version('2020_09_4', sha256='9e734ca8f99d8be1ef2ac51efb67c393c62e88b98cfa550d6173ce3eaa87b559')
version('2020_09_3', sha256='aa95bf3cbeef287eeb6d9759ff0992d2f92f2171b1758af71b7c9a0ec97a0660')
version('2020_09_2', sha256='44663970859c0ec993f94a56b692231557df02c267853a2ee3c1f609cef93ae9')
version('2020_09_1b1', sha256='d9d836dc38cc45db44698e33325901452c94df9add10dd2675674594af1b73c2')
version('2020_09_1', sha256='ac105498be52ff77f7e9328c41d0e61a2318cac0789d6efc30f5f50dc78a992c')
version('2020_03_6', sha256='a3663295a149aa0307ace6d1995094d0334180bc8f892fa325558a110154272b')
depends_on('python@3:')
depends_on('boost@1.53.0: +python +serialization')
depends_on('py-numpy')
depends_on('sqlite')
extends("python")
def cmake_args(self):
args = ['-DCMAKE_CXX_STANDARD=14',
'-DRDK_INSTALL_INTREE=OFF']
return args
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