new file: p/phono3py/phono3py-1.13.3-Py-2.7.eb

new file:   p/phono3py/phono3py-1.13.3-Py-3.6.eb
	new file:   p/phonopy/phonopy-1.13.2-Py-3.6.eb
	new file:   p/phonopy/phonopy-1.13.2.66-Py-2.7.eb


Former-commit-id: c8ca673dad4b43362bb1d09be5d169ffc2710486
This commit is contained in:
Lukáš Krupčík 2018-08-20 12:56:20 +02:00
parent 8186f17818
commit a9d7708d99
4 changed files with 110 additions and 0 deletions

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# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'phono3py'
version = '1.13.3'
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = ['https://github.com/atztogo/phono3py/archive/']
sources = ['v%(version)s.tar.gz']
prebuildopts = 'python setup.py build #' # notice the hash hack to override setup.py
preinstallopts = 'python setup.py install --prefix=%(installdir)s #' # another hack
skipsteps = ['test']
options = {'modulename': 'phonopy'}
dependencies = [
('OpenBLAS', '0.2.19', '-GCC-6.3.0-2.27-LAPACK-3.7.0', True),
('numpy', '1.13.3'),
('h5py', '2.7.1'),
('matplotlib', '2.1.1'),
('PyYAML', '3.12'),
('phonopy', '1.13.2'),
]
moduleclass = 'phys'

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# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'phono3py'
version = '1.13.3'
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = ['https://github.com/atztogo/phono3py/archive/']
sources = ['v%(version)s.tar.gz']
prebuildopts = 'python setup.py build #' # notice the hash hack to override setup.py
preinstallopts = 'python setup.py install --prefix=%(installdir)s #' # another hack
skipsteps = ['test']
options = {'modulename': 'phonopy'}
dependencies = [
('OpenBLAS', '0.2.19', '-GCC-6.3.0-2.27-LAPACK-3.7.0', True),
('numpy', '1.13.3'),
('h5py', '2.7.1'),
('matplotlib', '2.1.1'),
('PyYAML', '3.12'),
('phonopy', '1.13.2'),
]
moduleclass = 'phys'

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# IT4Innovations 2018
easyblock = 'PythonPackage'
name = 'phonopy'
version = '1.13.2'
homepage = 'https://atztogo.github.io/phonopy'
description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('matplotlib', '2.1.1'),
('lxml', '4.1.1'),
('PyYAML', '3.12'),
('numpy', '1.13.3'),
('h5py', '2.7.1'),
('scipy', '1.0.0')
]
moduleclass = 'python'

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# IT4Innovations 2018
easyblock = 'PythonPackage'
name = 'phonopy'
version = '1.13.2'
homepage = 'https://atztogo.github.io/phonopy'
description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('matplotlib', '2.1.1'),
('lxml', '4.1.1'),
('PyYAML', '3.12'),
('numpy', '1.13.3'),
('h5py', '2.7.1'),
('scipy', '1.0.0')
]
moduleclass = 'python'