mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 15:32:11 +01:00
d4acbfbf7c
new file: a/Arrow/Arrow-0.15.0-intel-2018a-Py-3.6.eb new file: b/BoltzTraP2/BoltzTraP2-19.7.3-Py-3.6.eb new file: b/Boost/Boost-1.70.0-intel-2017c.eb new file: b/Boost/Boost-1.70.0-intel-2018a-Py-3.6.eb new file: b/Boost/Boost-1.70.0-intel-2018a.eb new file: c/CIF2Cell/CIF2Cell-2.0.0a1-Py-3.6.eb new file: c/click/click-7.0-Py-3.6.eb new file: n/natsort/natsort-6.0.0-Py-3.6.eb new file: o/OpenFOAM/OpenFOAM-7-cleanup.patch new file: o/OpenFOAM/OpenFOAM-7-foss-2018a.eb new file: o/OpenFOAM/OpenFOAM-7-intel-2017a.eb new file: o/osm2pgsql/osm2pgsql-1.0.0-intel-2017c.eb new file: p/PyCifRW/PyCifRW-4.4-Py-3.6.eb new file: s/spglib/spglib-1.14.1-Py-3.6.eb deleted: s/spglib-python/spglib-python-1.10.2.4-Py-3.6.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'
|