easyblock = 'PackedBinary'

name = 'S4MPLE'
version = '1.0.0'

homepage = 'http://infochim.u-strasbg.fr/spip.php?rubrique152'
description = """S4MPLE (Sampler For Multiple Protein-Ligand Entities) is a flexible molecular modeling tool, supporting empirical
force field-driven conformational sampling and geometry optimization heuristics using a hybrid genetic algorithm (GA).
"""

toolchain = SYSTEM

# download from http://infochim.u-strasbg.fr/IMG/gz/S4MPLE-tar.gz and
# rename to S4MPLE.tar.gz
sources = ['S4MPLE.tar.gz']

sanity_check_paths = {
    'files': ["S4MPLE"],
    'dirs': [],
}

moduleclass = 'chem'
