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34 lines
1.0 KiB
Plaintext
34 lines
1.0 KiB
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 = '1.3.3'
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homepage = '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': '2020b'}
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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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checksums = [
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'a7d9e2cf011c424a8edadee7c893a34f2f886d0c450f803838a15b4c4a1561c9', # vaspkit.1.3.3.linux.x64.tar.gz
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'0ba8cadc06cc3d753bbd25fae99e5c52599a1cac2d793ccd6a1eb7adb2a9e0be', # vaspkit-1.3.3-foss-2020b-fix-install.patch
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]
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dependencies = [('matplotlib', '3.3.3')]
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sanity_check_paths = {
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'files': ["bin/vaspkit", "how_to_set_environment_variables", "setup.sh"],
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'dirs': ["bin"],
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}
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modluafooter = 'execute{cmd="bash $EBROOTVASPKIT/setup.sh", modeA={"load"}}'
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moduleclass = 'tools'
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