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new file: p/phono3py/phono3py-1.19.1-conda.eb new file: p/phono3py/phono3py-1.19.1-intel-2020a-Py-3.7
36 lines
986 B
Groff
36 lines
986 B
Groff
# IT4Innovations 2020
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# LK
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easyblock = "PythonPackage"
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name = 'phono3py'
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version = '1.19.1'
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versionsuffix = '-Py-3.7'
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homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
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description = """This software calculates phonon-phonon interaction related properties"""
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toolchain = {'name': 'intel', 'version': '2020a'}
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source_urls = ['https://github.com/phonopy/phono3py/archive/']
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sources = ['v%(version)s.tar.gz']
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# notice the hash hack to override setup.py
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prebuildopts = 'python setup.py build #'
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# another hack
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preinstallopts = 'python setup.py install --prefix=%(installdir)s #'
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skipsteps = ['test']
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options = {'modulename': 'phonopy'}
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dependencies = [
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('Py', '3.7', '', True),
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('OpenBLAS', '0.2.20', '', ('GCC', '8.3.0-2.32')),
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('numpy', '1.18.1', versionsuffix, True),
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# ('h5py', '2.10.0'),
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('matplotlib', '3.1.0', versionsuffix, True),
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('PyYAML', '5.3.1', versionsuffix, True),
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('phonopy', '2.6.1', versionsuffix,),
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]
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moduleclass = 'phys'
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