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33 lines
840 B
Plaintext
33 lines
840 B
Plaintext
# IT4Innovations 2024
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# BS
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# LK 2024 edit
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easyblock = 'CMakeMake'
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name = 'Serenity'
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version = '1.6.0'
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homepage = 'https://github.com/qcserenity/serenity'
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description = """Serenity is a quantum chemistry code originally developed in the group of Johannes Neugebauer at the University of Münster."""
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toolchain = {'name': 'foss', 'version': '2022a'}
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source_urls = ['https://github.com/qcserenity/serenity/archive/refs/tags/']
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sources = ['%(version)s.tar.gz']
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checksums = ['fd86b891d1c19f3341043329a032457a19e01bafca7022674de7559d4928c665']
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dependencies = [
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('CMake', '3.24.3'),
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('Boost', '1.79.0'),
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('Eigen', '3.4.0'),
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('HDF5', '1.12.2'),
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('GMP', '6.2.1'),
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]
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sanity_check_paths = {
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'files': ['bin/serenity', 'lib/libserenity.a'],
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'dirs': ['bin', 'lib', 'include', 'lib64', 'share'],
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}
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moduleclass = 'chem'
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