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37 lines
923 B
Plaintext
37 lines
923 B
Plaintext
# IT4Innovations 2017
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easyblock = 'PythonPackage'
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name = 'ASE'
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version = '3.15.0'
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versionsuffix = '-Python-%(local_pyver)s-base'
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homepage = 'https://wiki.fysik.dtu.dk/ase/'
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description = """ASE is a python package providing an open source Atomic Simulation Environment
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in the Python scripting language."""
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toolchain = SYSTEM
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source_urls = [PYPI_LOWER_SOURCE]
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sources = [SOURCELOWER_TAR_GZ]
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checksums = ['5e22d961b1311ef4ba2d83527f7cc7448abac8cf9bddd1593bee548459263fe8']
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dependencies = [
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('Python', '2.7.13', '-base'),
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('numpy', '1.13.0', '-Python-2.7.13-base'),
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('scipy', '0.19.1', '-Python-2.7.13-base'),
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('matplotlib', '2.0.2', '-Python-2.7.13-base'),
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]
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sanity_check_paths = {
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'files': [
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'bin/ase-build',
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'bin/ase-db',
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'bin/ase-gui',
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'bin/ase-info',
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'bin/ase-run'],
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'dirs': ['lib/python%(local_pyshortver)s/site-packages'],
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}
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moduleclass = 'chem'
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