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new file: p/phono3py/phono3py-1.13.3-Py-3.6.eb new file: p/phonopy/phonopy-1.13.2-Py-3.6.eb new file: p/phonopy/phonopy-1.13.2.66-Py-2.7.eb Former-commit-id: c8ca673dad4b43362bb1d09be5d169ffc2710486
31 lines
851 B
Plaintext
31 lines
851 B
Plaintext
# IT4Innovations 2018
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easyblock = "PythonPackage"
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name = 'phono3py'
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version = '1.13.3'
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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': 'Py', 'version': '2.7'}
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source_urls = ['https://github.com/atztogo/phono3py/archive/']
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sources = ['v%(version)s.tar.gz']
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prebuildopts = 'python setup.py build #' # notice the hash hack to override setup.py
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preinstallopts = 'python setup.py install --prefix=%(installdir)s #' # another hack
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skipsteps = ['test']
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options = {'modulename': 'phonopy'}
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dependencies = [
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('OpenBLAS', '0.2.19', '-GCC-6.3.0-2.27-LAPACK-3.7.0', True),
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('numpy', '1.13.3'),
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('h5py', '2.7.1'),
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('matplotlib', '2.1.1'),
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('PyYAML', '3.12'),
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('phonopy', '1.13.2'),
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]
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moduleclass = 'phys'
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