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new file: b/BoltzTraP2/BoltzTraP2-20.2.1-Py-3.7.eb new file: c/click/click-7.0-Py-3.7.eb modified: h/h5py/h5py-2.9.0-Py-3.7.eb new file: l/LLVM/LLVM-8.0.1-GCCcore-8.3.0.eb modified: m/matplotlib/matplotlib-3.1.0-Py-3.7.eb new file: m/mpmath/mpmath-1.1.0-Py-3.7.eb modified: n/numba/numba-0.48.0-Py-3.7.eb new file: s/scipy/scipy-1.3.3-Py-3.7.eb new file: s/spglib/spglib-1.14.1-Py-3.7.eb deleted: s/scipy/scipy-1.4.1-Py-3.7.eb
35 lines
723 B
Plaintext
35 lines
723 B
Plaintext
# IT4Innovations 2020
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easyblock = 'PythonPackage'
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name = 'ASE'
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version = '3.18.1'
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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': 'Py', 'version': '3.7'}
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source_urls = [PYPI_LOWER_SOURCE]
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sources = [SOURCELOWER_TAR_GZ]
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dependencies = [
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('numpy', '1.18.1'),
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('scipy', '1.3.3'),
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('matplotlib', '3.1.0'),
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('click', '7.0'),
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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/python3.7/site-packages'],
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}
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moduleclass = 'python'
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