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mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2025-01-03 18:16:01 +01:00

Add setup.py

This commit is contained in:
Thomas Applencourt 2014-11-19 17:14:37 +01:00
parent 6048e9a4a5
commit 2e3c5bac09
2 changed files with 50 additions and 7 deletions

View File

@ -20,16 +20,19 @@ Options:
<db_path> 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__':

40
setup.py Executable file
View File

@ -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"