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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
27 lines
690 B
Plaintext
27 lines
690 B
Plaintext
# IT4Innovations 2021
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# LK
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easyblock = 'Tarball'
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name = 'GPAW-setups'
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version = '0.9.20000'
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homepage = 'https://wiki.fysik.dtu.dk/gpaw/'
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description = """PAW setup for the GPAW Density Functional Theory package.
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Users can install setups manually using 'gpaw install-data' or use setups from this package.
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The versions of GPAW and GPAW-setups can be intermixed."""
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toolchain = SYSTEM
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source_urls = ['https://wiki.fysik.dtu.dk/gpaw-files/']
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sources = [SOURCELOWER_TAR_GZ]
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checksums = ['6c71682be12a41e17909f65fd7c1a2e4a6a7becb63fbeed2f0f3a1616d6fd41f']
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modextrapaths = {'GPAW_SETUP_PATH': ''}
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moduleclass = 'chem'
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sanity_check_paths = {
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'files': ['H.LDA.gz'],
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'dirs': []
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}
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