mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-08 07:52:11 +01:00
33 lines
851 B
Plaintext
33 lines
851 B
Plaintext
# 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']
|
|
|
|
# notice the hash hack to override setup.py
|
|
prebuildopts = 'python setup.py build #'
|
|
# another hack
|
|
preinstallopts = 'python setup.py install --prefix=%(installdir)s #'
|
|
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'
|