mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-11 01:12:11 +01:00
182459da35
deleted: a/Anaconda2/Anaconda2-4.4.0.eb deleted: a/Anaconda3/Anaconda3-2019.10.eb deleted: a/Anaconda3/Anaconda3-4.4.0.eb deleted: a/Anaconda3/Anaconda3-5.3.1.eb deleted: a/Autotools/Autotools-20150215-GCC-6.3.0-2.27.eb deleted: a/Autotools/Autotools-20170619.eb deleted: a/Autotools/Autotools-20180311.eb
35 lines
723 B
Plaintext
35 lines
723 B
Plaintext
# IT4Innovations 2019
|
|
|
|
easyblock = 'PythonPackage'
|
|
|
|
name = 'ASE'
|
|
version = '3.18.1'
|
|
|
|
homepage = 'https://wiki.fysik.dtu.dk/ase/'
|
|
description = """ASE is a python package providing an open source Atomic Simulation Environment
|
|
in the Python scripting language."""
|
|
|
|
toolchain = {'name': 'Py', 'version': '3.6'}
|
|
|
|
source_urls = [PYPI_LOWER_SOURCE]
|
|
sources = [SOURCELOWER_TAR_GZ]
|
|
|
|
dependencies = [
|
|
('numpy', '1.16.3'),
|
|
('scipy', '1.3.0'),
|
|
('matplotlib', '3.1.0'),
|
|
('click', '7.0'),
|
|
]
|
|
|
|
sanity_check_paths = {
|
|
'files': [
|
|
'bin/ase-build',
|
|
'bin/ase-db',
|
|
'bin/ase-gui',
|
|
'bin/ase-info',
|
|
'bin/ase-run'],
|
|
'dirs': ['lib/python3.6/site-packages'],
|
|
}
|
|
|
|
moduleclass = 'python'
|