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22 lines
818 B
Plaintext
22 lines
818 B
Plaintext
# !!! --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/s/siesta.py !!!
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easyblock = 'siesta'
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name = 'Siesta'
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version = '4.1-b2'
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homepage = 'http://departments.icmab.es/leem/siesta'
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description = """SIESTA is both a method and its computer program implementation, to perform efficient electronic
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structure calculations and ab initio molecular dynamics simulations of molecules and solids. This version si compiled
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with OpenMP and MPI support."""
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toolchain = {'name': 'intel', 'version': '2017a'}
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toolchainopts = {'usempi': True, 'openmp': True}
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sources = [SOURCELOWER_TAR_GZ]
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vl = version.split('-')
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source_urls = ['https://launchpad.net/siesta/%s/%%(version)s/+download' % vl[0]]
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checksums = ['6dd700aa79b0da39bbd3233c220d630f']
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dependencies = [('netCDF-Fortran', '4.4.4')]
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moduleclass = 'phys'
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