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'