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27 lines
795 B
Plaintext
27 lines
795 B
Plaintext
# IT4Innovations 2022
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# JK
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easyblock = 'CMakeMake'
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name = 'tblite'
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version = '0.2.1'
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homepage = 'http://www.example.com'
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description = """This project is an effort to create a library implementation of the extended tight binding (xTB) Hamiltonian which can be shared between xtb and dftb+. The current state of this project should be considered as highly experimental."""
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toolchain = {'name': 'intel', 'version': '2020b'}
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import os
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if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
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toolchainopts = {'optarch': 'march=core-avx2'}
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source_urls = ['https://github.com/tblite/tblite/archive/refs/tags/']
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sources = ['v%(version)s.tar.gz']
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checksums = ['8b803f636685f862097952e7b5e6d0903f6c91b1534c5750664c7ab42a5d4c9a']
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builddependencies = [
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('CMake', '3.20.1'),
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]
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moduleclass = 'lib'
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