Commit 67a999ec authored by Lukáš Krupčík's avatar Lukáš Krupčík

new file: g/glibc/glibc-2.17.eb

	new file:   l/LAMMPS/LAMMPS-16Mar2018-intel-2017a.eb
	new file:   l/LAMMPS/LAMMPS-22Jun2018-intel-2017a.eb


Former-commit-id: 42589f39
parent de2e1faa
# IT4Innovations 2018
easyblock = 'ConfigureMake'
name = 'glibc'
version = '2.17'
homepage = 'https://www.gnu.org/software/libc/'
description = """The Glibc package contains the main C library. This library provides the basic routines for allocating memory, searching directories, opening and closing files, reading and writing files, string handling, pattern matching, arithmetic, and so on."""
toolchain = {'name': 'dummy', 'version': ''}
sources = ['%(name)s-%(version)s.tar.gz']
source_urls = ['http://ftp.gnu.org/gnu/glibc/']
preconfigopts = 'mkdir build && '
preconfigopts += 'cd build && '
configure_cmd_prefix = '.'
configopts = '--enable-kernel=2.6.32 --enable-obsolete-rpc --enable-stack-protector=strong'
prebuildopts = 'cd build && '
preinstallopts= 'cd build && '
sanity_check_paths = {
'files': [],
'dirs': ['lib'],
}
moduleclass = 'lib'
# IT4Innovations 2017
easyblock = 'CmdCp'
name = 'LAMMPS'
version = '16Mar2018'
homepage = 'http://lammps.sandia.gov'
description = """LAMMPS is a classical molecular dynamics code,
and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
Has potentials for solid-state materials (metals, semiconductors) and soft
matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.
It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic,
meso, or continuum scale.
"""
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = ['https://github.com/lammps/lammps/archive']
sources = ['stable_16Mar2018.tar.gz']
dependencies = [
('tbb', '2017.6.196', '', True),
]
builddependencies = [
('Python', '2.7.13', '-base', True),
('CMake', '3.5.2', '', True)
]
commands = "cd src && make yes-kokkos && "
commands += "make yes-user-phonon && make yes-misc && "
commands += "make lib-reax args='-m ifort' && make yes-reax && "
commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
commands += "make yes-user-reaxc && make yes-user-omp && "
commands += "make -j 16 intel_cpu_intelmpi && mv lmp_intel_cpu_intelmpi lammps"
cmds_map = [('.*', commands)]
files_to_copy = [
(['src/lammps'], 'bin'),
]
sanity_check_paths = {
'files': ['bin/lammps'],
'dirs': [''],
}
moduleclass = 'chem'
# IT4Innovations 2017
easyblock = 'CmdCp'
name = 'LAMMPS'
version = '22Jun2018'
homepage = 'http://lammps.sandia.gov'
description = """LAMMPS is a classical molecular dynamics code,
and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
Has potentials for solid-state materials (metals, semiconductors) and soft
matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.
It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic,
meso, or continuum scale.
"""
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = ['https://github.com/lammps/lammps/archive']
sources = ['patch_22Jun2018.tar.gz']
dependencies = [
('tbb', '2017.6.196', '', True),
]
builddependencies = [
('Python', '2.7.13', '-base', True),
('CMake', '3.5.2', '', True),
]
commands = "cd src && make yes-kokkos && "
commands += "make yes-user-phonon && make yes-misc && "
commands += "make lib-reax args='-m ifort' && make yes-reax && "
commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
commands += "make yes-user-reaxc && make yes-user-omp && "
commands += "make -j 16 intel_cpu_intelmpi && mv lmp_intel_cpu_intelmpi lammps"
cmds_map = [('.*', commands)]
files_to_copy = [
(['src/lammps'], 'bin'),
]
sanity_check_paths = {
'files': ['bin/lammps'],
'dirs': [''],
}
moduleclass = 'chem'
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