new file: q/QtiPlot/qtiplot-1.0.0.eb

new file:   r/ReSpect/ReSpect-5.1.0.eb
This commit is contained in:
Lukas Krupcik 2021-08-11 09:20:41 +02:00
parent 6ba8ed42a2
commit 705e0fda82
2 changed files with 45 additions and 0 deletions

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easyblock = 'Binary'
name = 'QtiPlot'
version = '1.0.0'
homepage = "https://www.qtiplot.com/"
description = """QtiPlot is a cross-platform scientific application for data analysis and visualisation."""
toolchain = SYSTEM
sources = ["qtiplot-1.0.0-rc14.tar.gz"]
extract_sources = True
sanity_check_paths = {
'files': ['qtiplot', 'assistant'],
'dirs': ['fitPlugins', 'jodconverter', 'manual'],
}
moduleclass = 'vis'

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easyblock = 'Binary'
name = 'ReSpect'
version = '5.1.0'
homepage = "http://www.respectprogram.org/index.html"
description = """ReSpect is a computer simulation program enabling the prediction and understanding of molecular and material properties from advanced first-principle relativistic DFT calculations."""
toolchain = SYSTEM
# have to write an email to authors to get download link
# ownership set to root:respect!!! members of the respect approved by authors
sources = ["ReSpect_5.1.0_beta_x86_64_OMP_intel-18.3_static.tar.gz"]
extract_sources = True
sanity_check_paths = {
'files': ['ReSpect-mDKS.x', 'ehmacc.x', 'mDKS-pNMR.x', 'respect', 'test/testrs.py'],
'dirs': ['basis', 'tutorial', 'test', 'util', 'test/1c-properties', 'test/grid', 'test/MAG', 'test/method', 'test/prop1', 'test/tdscf'],
}
moduleclass = 'phys'