diff --git a/EMSL_api.py b/EMSL_api.py index 8e87d3d..6a3cb48 100755 --- a/EMSL_api.py +++ b/EMSL_api.py @@ -20,16 +20,19 @@ Options: is the path to the SQLite3 file containing the Basis sets. """ -version = "0.1.1" - +version = "0.1.2" import sys -sys.path.append('./src/') -from docopt import docopt -from EMSL_utility import EMSL_dump -from EMSL_utility import format_dict -from EMSL_utility import EMSL_local +try: + from docopt import docopt + from EMSL_utility import EMSL_dump + from EMSL_utility import format_dict + from EMSL_utility import EMSL_local + +except: + print "Run setup.py then source EMSL_api.rc" + sys.exit(1) if __name__ == '__main__': diff --git a/setup.py b/setup.py new file mode 100755 index 0000000..74e1c02 --- /dev/null +++ b/setup.py @@ -0,0 +1,40 @@ +#!/usr/bin/env python +# -*- coding: utf-8 -*- + +import sys +import os + +ins = False + +d = {'y': True, + 'n': False} + +try: + import requests +except: + print "You need requests for dowload the basis, without you still can read a existing DB" + + while True: + choice = raw_input('Do you want to install it ? [Y/N]') + try: + ins = d[choice.lower()] + break + except: + print "not a valid choice" + + +if ins: + try: + import pip + pip.main(['install', "requests"]) + except: + print "You need pip, (http://pip.readthedocs.org/en/latest/installing.html)" + sys.exit(1) + +path = os.path.split(os.path.abspath(sys.argv[0]))[0] + +with open(path + "/EMSL_api.rc", "w") as f: + f.write("export EMSL_API_ROOT=%s" % path + "\n") + f.write("export PYTHONPATH=${PYTHONPATH}:${EMSL_API_ROOT}/src" + "\n") + +print "Source EMSL_api.rc, pls"