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new file: a/ASE/ASE-3.21.1-intel-2020a.eb new file: c/CMake/CMake-3.18.4-GCCcore-9.3.0.eb new file: c/cURL/cURL-7.72.0-GCCcore-9.3.0.eb new file: e/Eigen/Eigen-3.3.8-GCCcore-9.3.0.eb new file: f/freetype/freetype-2.10.3-GCCcore-9.3.0.eb new file: g/GPAW-setups/GPAW-setups-0.9.20000.eb new file: g/GPAW/GPAW-21.1.0-intel-2020a-ASE-3.21.1.eb new file: g/GPAW/GPAW-21.1.0-intel-2020a-Py-3.7.eb new file: h/hypothesis/hypothesis-5.41.2-GCCcore-9.3.0.eb new file: i/iccifort/iccifort-2020.4.304.eb new file: l/libarchive/libarchive-3.4.3-GCCcore-9.3.0.eb new file: l/libjpeg-turbo/libjpeg-turbo-2.0.5-GCCcore-9.3.0.eb new file: m/matplotlib/matplotlib-3.3.3-intel-2020a.eb new file: n/NASM/NASM-2.15.05-GCCcore-9.3.0.eb new file: o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.eb new file: p/Pillow/Pillow-8.0.1-GCCcore-9.3.0.eb new file: p/Python/Python-3.8.6-GCCcore-9.3.0.eb new file: p/pybind11/pybind11-2.6.0-GCCcore-9.3.0.eb new file: s/SQLite/SQLite-3.33.0-GCCcore-9.3.0.eb new file: s/SciPy-bundle/SciPy-bundle-2020.11-intel-2020a.eb new file: s/spglib-python/spglib-python-1.16.0-intel-2020a.eb new file: t/Tkinter/Tkinter-3.8.6-GCCcore-9.3.0.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 = '3.21.1'
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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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