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35 lines
1.0 KiB
Plaintext
35 lines
1.0 KiB
Plaintext
name = 'LAMMPS'
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version = '28Jun14'
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homepage = 'http://lammps.sandia.gov'
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description = """LAMMPS is a classical molecular dynamics code,
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and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
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Has potentials for solid-state materials (metals, semiconductors) and soft
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matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.
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It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic,
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meso, or continuum scale.
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"""
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toolchain = {'name': 'intel', 'version': '2015b'}
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# Please rename downloaded package lammps-stable.tar.gz to correct format reflecting version, like
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# lammps-28jun14.tar.gz (lowercase!) and move to the Easybuils sources direcory.
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source_urls = [
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# Use manually downloaded sources
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]
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sources = [SOURCELOWER_TAR_GZ]
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patches = [('LAMMPS-Makefile.mkl.patch', 0)]
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prebuildopts = "cd src && "
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skipsteps = ['configure', 'install']
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sanity_check_paths = {
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'files': ['bin/lmp_mkl'],
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'dirs': [''],
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}
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moduleclass = 'chem'
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