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Merge branch 'it4i-barbora'
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@ -10,7 +10,10 @@ 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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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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toolchain = {'name': 'intel', 'version': '2020b'}
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toolchainopts = {'optarch': 'march=core-avx2'}
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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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source_urls = ['https://github.com/tblite/tblite/archive/refs/tags/']
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sources = ['v%(version)s.tar.gz']
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sources = ['v%(version)s.tar.gz']
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