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38 lines
974 B
Plaintext
38 lines
974 B
Plaintext
# JH 2020
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easyblock = 'PythonPackage'
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name = 'phonopy'
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version = '2.6.1'
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versionsuffix = '-Py-3.7'
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homepage = 'http://atztogo.github.io/phonopy/'
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description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
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toolchain = {'name': 'intel', 'version': '2020a'}
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source_urls = ['https://github.com/phonopy/phonopy/archive/']
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sources = ["v%(version)s.tar.gz"]
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dependencies = [
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('Py', '3.7', '', True),
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('matplotlib', '3.1.0', versionsuffix, True),
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('wheel', '0.34.2', versionsuffix, True),
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# ('lxml', '4.3.3', '-Py-3.7', True),
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('PyYAML', '5.3.1', versionsuffix, True),
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# ('h5py', '2.9.0', '-Py-3.7', True),
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]
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# required because we're building a Python package using Intel compilers on top of Python built with GCC
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check_ldshared = True
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download_dep_fail = True
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use_pip = True
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sanity_check_paths = {
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'files': ['bin/phonopy'],
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'dirs': ['lib/python3.7/site-packages'],
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}
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moduleclass = 'python'
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