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new file: p/phonopy/phonopy-2.6.1-intel-2020a-Python-3.8.2.eb new file: q/QMCPACK/QMCPACK-3.9.1-intel-2020a-Python-3.8.2.eb deleted: q/QMCPACK/QMCPACK-3.9.1-intel-2020a.eb
37 lines
896 B
Plaintext
37 lines
896 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 = '-Python-%(pyver)s'
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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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('Python', '3.8.2'),
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('matplotlib', '3.2.1', versionsuffix),
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('lxml', '4.5.2'),
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('PyYAML', '5.3'),
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('h5py', '2.10.0', versionsuffix),
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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/python%(pyshortver)s/site-packages'],
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}
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moduleclass = 'python'
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