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modified: p/phono3py/phono3py-1.12.7.46-Py-2.7.eb modified: s/Singularity/Singularity-2.4.4.eb deleted: s/Singularity/.Singularity-2.4.4.eb.swp
31 lines
921 B
Plaintext
31 lines
921 B
Plaintext
# IT4Innovations 2018
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easyblock = "PythonPackage"
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name = 'phono3py'
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version = '1.12.7.46'
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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://pypi.python.org/packages/a5/93/3a9cc9f134ba1f7aa246a27c8a02137e7f9a7311df87ae656bba9051c6df/']
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sources = ['%(name)s-%(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', '1.12.4.11'),
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]
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moduleclass = 'phys'
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