# IT4Innovations
# LK 2024

easyblock = 'CMakeMake'

name = 'libcint'
version = '5.5.0'

homepage = 'https://github.com/sunqm/libcint'
description = "libcint is an open source library for analytical Gaussian integrals."

toolchain = {'name': 'gfbf', 'version': '2023b'}

source_urls = ['https://github.com/sunqm/%(name)s/archive/']
sources = ['v%(version)s.tar.gz']
patches = ['%(name)s-4.4.0_remove_pyscftest.patch']
checksums = [
    {'v5.5.0.tar.gz': 'c822a9a454587d935287de0f64a2c2cf5338323a554a3f34bcfb4a2892daf477'},
    {'libcint-4.4.0_remove_pyscftest.patch': '6449297a6aee30fef3d6a268aa892dea8dd5c3ca9669a50ae694ab9bcf17842d'},
]

builddependencies = [
    ('CMake', '3.27.6'),
    ('Python', '3.11.5'),
    ('SciPy-bundle', '2023.11'),
]

configopts = "-DWITH_RANGE_COULOMB=on -DWITH_COULOMB_ERF=on -DWITH_F12=on -DENABLE_TEST=on"

buildopts = 'VERBOSE=1'

runtest = "test "
separate_build_dir = False  # Must use the same directory for tests

sanity_check_paths = {
    'files': ['include/cint.h', 'lib/%(name)s.so'],
    'dirs': [],
}

moduleclass = 'chem'