# IT4INNOVATIONS 2022 # JK easyblock = 'Tarball' name = 'vaspkit' version = '1.3.3' homepage = 'https://vaspkit.com/' description = """VASPKIT aims at providing a powerful and user-friendly interface to perform high throughput analysis of various material properties from the raw calculated data using the widely-used VASP code.""" toolchain = {'name': 'foss', 'version': '2020b'} source_urls = [SOURCEFORGE_SOURCE] sources = ['%(namelower)s.%(version)s.linux.x64.tar.gz'] patches = ['vaspkit-1.3.3-foss-2020b-fix-install.patch'] checksums = [ 'a7d9e2cf011c424a8edadee7c893a34f2f886d0c450f803838a15b4c4a1561c9', # vaspkit.1.3.3.linux.x64.tar.gz '0ba8cadc06cc3d753bbd25fae99e5c52599a1cac2d793ccd6a1eb7adb2a9e0be', # vaspkit-1.3.3-foss-2020b-fix-install.patch ] dependencies = [('matplotlib', '3.3.3')] sanity_check_paths = { 'files': ["bin/vaspkit", "how_to_set_environment_variables", "setup.sh"], 'dirs': ["bin"], } modluafooter = 'execute{cmd="bash $EBROOTVASPKIT/setup.sh", modeA={"load"}}' moduleclass = 'tools'