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new file: a/ASE/ASE-3.15.0-Python-2.7.13-base-test.eb new file: a/ASE/ASE-3.15.0-Python-3.6.4-base-test.eb new file: b/Bash/Bash-4.4-GCC-6.3.0-2.27.eb new file: b/Bash/Bash-4.4-intel-2017b.eb new file: b/Boost/Boost-1.66.0-foss-2018a-Py-2.7.eb new file: f/foss/foss-2018a.eb new file: n/numpy/numpy-1.14.1-Py-3.6.eb new file: n/numpy/numpy-1.14.1-mkl.patch new file: o/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27.eb new file: s/SQLite/SQLite-3.21.0.eb
32 lines
894 B
Plaintext
32 lines
894 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-%(pyver)s-base-test'
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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 = {'name': 'dummy', 'version': ''}
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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', '3.6.1'),
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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': ['bin/ase-build', 'bin/ase-db', 'bin/ase-gui', 'bin/ase-info', 'bin/ase-run'],
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'dirs': ['lib/python%(pyshortver)s/site-packages'],
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}
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moduleclass = 'chem'
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