Commit 7666d0df authored by Josef Hrabal's avatar Josef Hrabal

new file: s/sqsgenerator/sqsgenerator-20180823-Py-3.6.eb

	new file:   s/sqsgenerator/sqsgenerator-20180823-Py-3.6.patch
parent 338bd38d
# IT4Innovations 2018
easyblock = 'PythonPackage'
name = 'sqsgenerator'
version = '20180823'
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 = ['1da686b94d5bcc9bf3e6c4983823efe86c5b2dd7.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'
--- setup.py.orig 2018-09-11 08:42:39.559660636 +0200
+++ setup.py 2018-09-11 09:38:34.028086326 +0200
@@ -9,15 +9,15 @@
import os
#Specify OpenMP capable compiler
-os.environ['CC'] = '/usr/local/bin/clang-omp'
+#os.environ['CC'] = '/usr/local/bin/clang-omp'
#Directory of gmp.h
-INCLUDE_DIRECTORIES = ['/usr/local/include']
-#INCLUDE_DIRECTORIES = []
+#INCLUDE_DIRECTORIES = ['/usr/local/include']
+INCLUDE_DIRECTORIES = []
#Specify gmp lib directory
-LIB_DIRS = ['/usr/local/Cellar/gmp/6.1.2_1/lib', '/usr/local/opt/llvm/lib']
-#LIB_DIRS = []
+#LIB_DIRS = ['/usr/local/Cellar/gmp/6.1.2_1/lib', '/usr/local/opt/llvm/lib']
+LIB_DIRS = []
################################################
THIS_DIR = dirname(__file__)
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