diff --git a/s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb b/s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb new file mode 100644 index 00000000..b1785240 --- /dev/null +++ b/s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb @@ -0,0 +1,27 @@ +# IT4Innovations 2018 + +easyblock = 'PythonPackage' + +name = 'sqsgenerator' +version = '20180226' + +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'] + +dependencies = [ + ('Cython', '0.27.3'), + ('pymatgen', '2018.1.29'), +] + +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'