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new file: p/phonopy/phonopy-2.17.0-conda.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-ntypx=32.eb
28 lines
546 B
Plaintext
28 lines
546 B
Plaintext
# IT4Innovations
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# LK 2022
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easyblock = "Conda"
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name = 'phonopy'
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version = '2.17.0'
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versionsuffix = '-conda'
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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 = SYSTEM
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dependencies = [
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('Anaconda3', '2022.05'),
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]
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requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"
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channels = ['conda-forge']
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sanity_check_paths = {
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'files': ['bin/phonopy'],
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'dirs': ['bin', 'lib']
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}
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moduleclass = 'phys'
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