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54 lines
1.2 KiB
Plaintext
54 lines
1.2 KiB
Plaintext
# IT4Innovations
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# LK 2022
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easyblock = 'PythonPackage'
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name = 'sqsgenerator'
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version = '0.1'
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versionsuffix = '-Python-3.9.6'
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homepage = 'https://github.com/dnoeger/sqsgenerator'
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description = """This package is a Special Quasirandom Structure generator written in Python3/Cython.
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Please note that the programm currently only works with Python 3."""
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toolchain = {'name': 'intel-compilers', 'version': '2021.4.0'}
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toolchainopts = {'pic': True}
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source_urls = ['https://github.com/dgehringer/sqsgenerator/archive/refs/tags/']
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sources = ['v%(version)s.tar.gz']
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#patches = ['sqsgenerator-20180823-Py-3.6.patch']
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builddependencies = [
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('CMake', '3.21.1'),
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]
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dependencies = [
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('Python', '3.9.6'),
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('GMP', '6.2.1'),
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('Boost', '1.77.0', '-Python-3.9.6'),
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]
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sanity_check_paths = {
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'files': [
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'bin/chardetect',
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'bin/cygdb',
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'bin/cython',
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'bin/cythonize',
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'bin/f2py',
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'bin/feff_input_generation',
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'bin/feff_plot_cross_section',
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'bin/feff_plot_dos',
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'bin/gaussian_analyzer',
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'bin/get_environment',
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'bin/isympy',
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'bin/pmg',
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'bin/pydii',
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'bin/sqsgenerator',
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'bin/tabulate'],
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'dirs': [
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'bin',
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'lib']}
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moduleclass = 'lang'
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