# IT4Innovations 2024
# LK 2024

easyblock = 'Binary'

name = 'stda'
version = '1.6.3'

homepage = 'https://github.com/grimme-lab/stda'
description = """stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT) """

toolchain = SYSTEM

source_urls = ['https://github.com/grimme-lab/stda/releases/download/v%(version)s/']
sources = ['%(name)s_v%(version)s']
checksums = ['9701f1d08e79dd560f44fbae61d126eaacd944eb8f67fca0820621b90033af80']

install_cmd = 'mkdir %(installdir)s/bin && '
install_cmd += 'mv %(name)s_v%(version)s %(installdir)s/bin/%(name)s '

sanity_check_paths = {
    'files': ['bin/stda'],
    'dirs': [],
}

moduleclass = 'chem'

