Coverage for calorine/env.py: 100%

1from os import getenv 

2 

3 

4def calorine_getenv(variable) -> str: 

5 """Get value of environment variable, or default. 

6 

7 Possible environment variables are: 

8 

9 - `CALORINE_GPUMD_COMMAND` - Command used by 

10 :class:`GPUNEP <calorine.calculators.GPUNEP>` to invoke the ``gpumd`` 

11 executable. Default: ``'gpumd'``. 

12 - `CALORINE_NEP_COMMAND` - Command used by :func:`batch_predict_properties 

13 <calorine.tools.batch_predict_properties>` to invoke the ``nep`` 

14 executable. Default: ``'nep'``. 

15 

16 Parameters 

17 ---------- 

18 variable 

19 Name of variable, without the ``'CALORINE_'`` prefix. 

20 

21 Returns 

22 ------- 

23 Value of variable as string. 

24 """ 

25 defaults = {'GPUMD_COMMAND': 'gpumd', 'NEP_COMMAND': 'nep'} 

26 

27 if variable not in defaults: 

28 allowed = '\n'.join(f' CALORINE_{var}' for var in defaults) 

29 raise ValueError(f'Environment variable CALORINE_{variable} is unknown. ' 

30 f'Allowed variables are:\n{allowed}') 

31 

32 return getenv(f'CALORINE_{variable}', defaults[variable])