mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 23:42:12 +01:00
63dfe4747a
new file: s/sqsgenerator/sqsgenerator-20180823-Py-3.6-v2.eb new file: v/VASP/VASP-5.4.4-intel-2017c-mkl=cluster.eb new file: v/VASP/VASP-5.4.4-intel-2017c-mkl=paralel.eb new file: v/VASP/VASP-5.4.4-intel-2017c-mkl=sequential.eb deleted: q/QuantumESPRESSO/QuantumESPRESSO-6.3-intel-2017a.eb.old deleted: q/QuantumESPRESSO/QuantumESPRESSO-6.3_drop_LIBS_before_configure_of_fox.patch.old deleted: v/VASP/VASP-5.4.4-intel-2017c-mkl=cluster-LONGCHAR.eb
48 lines
1.1 KiB
Plaintext
48 lines
1.1 KiB
Plaintext
# IT4Innovations 2018
|
|
|
|
easyblock = 'PythonPackage'
|
|
|
|
name = 'sqsgenerator'
|
|
version = '20180823'
|
|
versionsuffix = '-v2'
|
|
|
|
homepage = 'https://github.com/dnoeger/sqsgenerator'
|
|
description = """This package is a Special Quasirandom Structure generator written in Python3/Cython.
|
|
Please note that the programm currently only works with Python 3."""
|
|
|
|
toolchain = {'name': 'Py', 'version': '3.6'}
|
|
|
|
source_urls = ['https://github.com/dnoeger/sqsgenerator/archive/']
|
|
sources = ['master.zip']
|
|
|
|
patches = ['sqsgenerator-20180823-Py-3.6.patch']
|
|
|
|
dependencies = [
|
|
('Cython', '0.27.3'),
|
|
('pymatgen', '2018.1.29'),
|
|
('GMP', '6.1.2', '', True),
|
|
]
|
|
|
|
sanity_check_paths = {
|
|
'files': [
|
|
'bin/chardetect',
|
|
'bin/cygdb',
|
|
'bin/cython',
|
|
'bin/cythonize',
|
|
'bin/f2py',
|
|
'bin/feff_input_generation',
|
|
'bin/feff_plot_cross_section',
|
|
'bin/feff_plot_dos',
|
|
'bin/gaussian_analyzer',
|
|
'bin/get_environment',
|
|
'bin/isympy',
|
|
'bin/pmg',
|
|
'bin/pydii',
|
|
'bin/sqsgenerator',
|
|
'bin/tabulate'],
|
|
'dirs': [
|
|
'bin',
|
|
'lib']}
|
|
|
|
moduleclass = 'lang'
|