diff --git a/parser/parser-gpaw/parser.py b/parser/parser-gpaw/parser.py index 858d909fb843b21c87c944a3d760094ff7a4ee36..8717eeda8d3033e62a9e24c614dba94fc801d638 100644 --- a/parser/parser-gpaw/parser.py +++ b/parser/parser-gpaw/parser.py @@ -9,7 +9,7 @@ from nomadcore.local_meta_info import loadJsonFile, InfoKindEl from nomadcore.parser_backend import JsonParseEventsWriterBackend from tar import Reader from libxc_names import get_libxc_xc_names - +from versions import get_prog_version @contextmanager def open_section(p, name): @@ -43,7 +43,7 @@ def parse(filename): with o(p, 'section_run'): p.addValue('program_name', 'GPAW') - p.addValue('program_version', '1.0.0') + p.addValue('program_version', get_prog_version(r.version)) if r.Mode == 'pw': p.addValue('program_basis_set_type', 'plane waves') with o(p, 'section_basis_set_cell_dependent'): diff --git a/parser/parser-gpaw/versions.py b/parser/parser-gpaw/versions.py new file mode 100644 index 0000000000000000000000000000000000000000..6530b41bfb9944b2bbb4662b7e47b837d6beb9c5 --- /dev/null +++ b/parser/parser-gpaw/versions.py @@ -0,0 +1,15 @@ +f2p_version = {6: '1.1.0', + 5: '0.11.0', + 3: '0.10.0'} + + +def get_prog_version(version): + if isinstance(version, int): + return f2p_version[version] + else: + return '0.9.0' + + +if __name__ == '__main__': + print(get_prog_version(6)) + print(get_prog_version(0.3))