1import json 

2 

3 

4class CLICommand: 

5 """Get calculations from NOMAD and write to JSON files. 

6 

7 ... 

8 """ 

9 

10 @staticmethod 

11 def add_arguments(p): 

12 p.add_argument('uri', nargs='+', metavar='nmd://<hash>', 

13 help='URIs to get') 

14 

15 @staticmethod 

16 def run(args): 

17 from ase.nomad import download 

18 for uri in args.uri: 

19 calculation = download(uri) 

20 identifier = calculation.hash.replace('/', '.') 

21 fname = 'nmd.{}.nomad-json'.format(identifier) 

22 with open(fname, 'w') as fd: 

23 json.dump(calculation, fd) 

24 print(uri)