# IT4Innovatins 2022
# JK

easyblock = 'Tarball'

name = 'ABCluster'
version = '3.1'

homepage = 'http://zhjun-sci.com/home-EN.php'
description = """ABCluster a program for the global optimization of chemical cluster structures."""
docurls = 'http://www.zhjun-sci.com/abcluster/doc/introduction.html'

toolchain = SYSTEM
toolchainopts = { 'openmp': True }

# Segfaults!
# dependencies = [ ('glibc', '2.29') ]

source_urls = ['http://www.zhjun-sci.com/docs/abcluster/']
sources = ['%(name)s-%(version)s-Linux.tar.gz']
checksums = ['4e4de1b354ac5965334f725523a435c2ddad9257811c73c282884625ec267fd3']

sanity_check_paths = {
    'files': [
    'abcinp', 'atom', 'bee', 'gaussian2xyz', 'geom', 'isomer', 'libiomp5.so',
    'rigidmol', 'topgen', 'xyz2gaussian'
],
    'dirs': ['misc', 'testfiles']
}

modextrapaths = {
    'PATH': '.',
    'LD_LIBRARY_PATH': '.'
 }

moduleclass = 'chem'