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28 lines
622 B
Plaintext
28 lines
622 B
Plaintext
# IT4Innovations 2019
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easyblock = 'PythonPackage'
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name = 'pymbar'
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version = '3.0.3'
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homepage = 'https://github.com/MobleyLab/alchemical-analysis'
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description = """An open tool implementing some recommended practices for analyzing alchemical free energy calculations"""
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toolchain = {'name': 'Py', 'version': '2.7'}
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source_urls = ['https://github.com/choderalab/pymbar/archive/']
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sources = ['%(version)s.tar.gz']
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dependencies = [
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('numpy', '1.13.3'),
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('six' , '1.11.0'),
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('scipy', '1.0.0'),
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]
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sanity_check_paths = {
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'files': [],
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'dirs': ['lib/python2.7/site-packages/'],
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}
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moduleclass = 'python'
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