Source code for dpgen.auto_test.mpdb

import os

from pymatgen.ext.matproj import MPRester, MPRestError

from dpgen import dlog

web = "materials.org"




def check_apikey():
    try:
        apikey = os.environ["MAPI_KEY"]
    except KeyError:
        print("You have to get a MAPI_KEY from " + web)
        print("and execute following command:")
        print('echo "export MAPI_KEY=yourkey">> ~/.bashrc')
        print("source ~/.bashrc")
        os._exit(0)
    try:
        return MPRester(apikey)
    except MPRestError:
        dlog.info("MPRester Error, you need to prepare POSCAR manually")
        os._exit(0)





def get_structure(mp_id):
    mpr = check_apikey()
    return mpr.get_structure_by_material_id(mp_id)