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new file: b/Blender/Blender-3.1.0-GCC-10.3.0.eb new file: b/Boost/Boost-1.77.0-GCC-10.2.0-Python-3.8.6.eb new file: b/Boost/Boost-1.77.0-intel-compilers-2021.4.0-Python-3.9.6.eb modified: c/CUDAcore/CUDAcore-11.6.0.eb new file: d/DualSPHysics/DualSPHysics-5.0.175-GCC-11.2.0-CUDA-11.6.0.eb new file: d/DualSPHysics/DualSPHysics-5.0.175-GCC-11.2.0.eb new file: d/DualSPHysics/DualSPHysics-5.0.175.patch new file: h/hwloc/hwloc-1.11.7-GCC-10.2.0.eb modified: o/ORCA/ORCA-4.2.0-OpenMPI-3.1.4.eb modified: o/ORCA/ORCA-4.2.1-OpenMPI-3.1.4.eb new file: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0.eb new file: q/QEMU/QEMU-6.2.0-VDE2.eb new file: s/sqsgenerator/sqsgenerator-0.0.5-GCC-10.2.0-Python-3.8.6.eb new file: s/sqsgenerator/sqsgenerator-0.1-GCC-10.2.0-Python-3.8.6.eb
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-3.8.6'
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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': 'GCC', 'version': '10.2.0'}
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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', '3.18.4'),
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]
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dependencies = [
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('Python', '3.8.6'),
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('GMP', '6.2.0'),
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('Boost', '1.77.0', '-Python-3.8.6'),
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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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