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45 lines
1.4 KiB
Plaintext
45 lines
1.4 KiB
Plaintext
easyblock = 'CmdCp'
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name = 'ALAMODE'
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version = '0.9.8'
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homepage = 'http://alamode.readthedocs.io/'
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description = """ALAMODE is an open source software designed for analyzing lattice anharmonicity
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and lattice thermal conductivity of solids. By using an external DFT package such as VASP and
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Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly
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with ALAMODE. Using the calculated anharmonic force constants, you can also estimate lattice
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thermal conductivity, phonon linewidth, and other anharmonic phonon properties from first principles."""
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toolchain = {'name': 'intel', 'version': '2017a'}
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source_urls = [SOURCEFORGE_SOURCE]
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sources = [SOURCELOWER_TAR_GZ]
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dependencies = [
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('Boost', '1.63.0'),
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('Python', '2.7.13-base', '', True),
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('matplotlib', '2.0.2-Python-2.7.13-base', '', True),
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('numpy', '1.13.0-Python-2.7.13-base', '', True),
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]
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commands = "cd alm && mv Makefile.linux Makefile && make && cd .. && "
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commands += "cd anphon && mv Makefile.linux Makefile && make && cd .. && "
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commands += "cd tools && make "
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cmds_map = [('.*', commands)]
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files_to_copy = [
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(['alm/alm', 'anphon/anphon'], 'bin'),
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(['tools/analyze_phonons', 'tools/qe2alm'], 'tools'),
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(['tools/*.py'], 'tools'),
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]
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modextrapaths = {'PATH': 'tools'}
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sanity_check_paths = {
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'files': ['bin/alm', 'bin/anphon'],
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'dirs': []
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}
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moduleclass = 'phys'
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