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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
34 lines
845 B
Plaintext
34 lines
845 B
Plaintext
# IT4Innovations 2021
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# LK
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easyblock = 'PythonPackage'
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name = 'spglib-python'
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version = '1.16.0'
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homepage = 'https://pypi.python.org/pypi/spglib'
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description = "Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C."
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toolchain = {'name': 'intel', 'version': '2020a'}
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source_urls = ['https://pypi.python.org/packages/source/%(nameletter)s/spglib']
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sources = ['spglib-%(version)s.tar.gz']
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checksums = ['94d056e48e7e6fe2e6fe4161471e774ac03221a6225fd83d551d3184220c1edf']
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dependencies = [
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('Python', '3.8.6'),
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('SciPy-bundle', '2020.11'),
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]
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# required because we're building a Python package using Intel compilers on top of Python built with GCC
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check_ldshared = True
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download_dep_fail = True
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use_pip = True
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sanity_pip_check = True
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options = {'modulename': 'spglib'}
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moduleclass = 'chem'
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