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89d06ec87f
new file: l/libMesh/libMesh-1.3.0-intel-2017c.eb new file: p/Perl/Perl-5.28.1-GCC-6.3.0-2.27.eb new file: p/PostgreSQL/PostgreSQL-11.3-Py-2.7.eb new file: p/phonopy/phonopy-2.1.3-Py-3.6.eb new file: s/scipy/scipy-1.3.0-Py-3.6.eb modified: x/XCrySDen/XCrySDen-1.5.60-intel-2017a.eb
26 lines
537 B
Plaintext
26 lines
537 B
Plaintext
# IT4Innovations 2019
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easyblock = 'PythonPackage'
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name = 'phonopy'
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version = '2.1.3'
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homepage = 'https://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': 'Py', 'version': '3.6'}
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source_urls = [PYPI_SOURCE]
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sources = [SOURCE_TAR_GZ]
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dependencies = [
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('matplotlib', '3.0.2'),
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('lxml', '4.3.0'),
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('PyYAML', '3.13'),
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('numpy', '1.16.3'),
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('h5py', '2.9.0'),
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('scipy', '1.3.0')
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]
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moduleclass = 'python'
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