name = 'CP2K'
version = '2.4.0'

homepage = 'http://www.cp2k.org'
description = """CP2K is a freely available (GPL) program, written in Fortran 95,
    to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
    It provides a general framework for different methods such as e.g. density functional theory (DFT)
    using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. """

toolchain = {'name': 'goolf', 'version': '1.4.10'}

source_urls = ['http://sourceforge.net/projects/cp2k/files/']

sources = [SOURCELOWER_TAR_BZ2]

patches = [
    'CP2K-%(version)s-fix_compile_date_lastsvn.patch', 
    'do_regtest_nocompile.patch'
]

builddependencies = [
    ('flex', '2.5.35'),
    ('Bison', '2.5')
]

dependencies = [('Libint', '1.1.4')]

# don't use parallel make, results in compilation failure
# because Fortran module files aren't created before they are needed
parallel = 1

# about 100 tests fail
ignore_regtest_fails=True

moduleclass = 'chem'
