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f146dbdb02
modified: i/IMOD/IMOD-4.11.1-fosscuda-2020b.eb new file: v/vaspkit/vaspkit-1.3.5-foss-2022a.eb
31 lines
885 B
Plaintext
31 lines
885 B
Plaintext
# IT4Innovations 2022
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# JK
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easyblock = 'Tarball'
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name = 'vaspkit'
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version = '1.3.5'
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homepage = 'https://vaspkit.com/'
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docurls = 'https://vaspkit.com/'
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description = """VASPKIT aims at providing a powerful and user-friendly interface to perform high
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throughput analysis of various material properties from the raw calculated data using the widely-used
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VASP code."""
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toolchain = {'name': 'foss', 'version': '2022a'}
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source_urls = [SOURCEFORGE_SOURCE]
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sources = ['%(namelower)s.%(version)s.linux.x64.tar.gz']
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patches = ['vaspkit-1.3.3-foss-2020b-fix-install.patch']
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dependencies = [('matplotlib', '3.5.2')]
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sanity_check_paths = {
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'files': ["bin/vaspkit", "how_to_set_environment_variables"],
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'dirs': ["bin", "utilities", "examples"],
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}
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modloadmsg = "Vaspkit configuration template is available at $EBROOTVASPKIT/how_to_set_environment_variables."
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moduleclass = 'tools'
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