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mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-12-22 20:34:23 +01:00
EMSL_Basis_Set_Exchange_Local/setup.py
2014-11-20 15:33:26 +01:00

60 lines
1.3 KiB
Python
Executable File

#!/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]
completion_function = \
"""
function _mycomplete_()
{
local word=${COMP_WORDS[COMP_CWORD]}
if [ $COMP_CWORD -eq 1 ]; then
opt="%s"
COMPREPLY=( $(compgen -W "${opt}" -- $word))
else
COMPREPLY=()
fi
}
complete -o default -F _mycomplete_ ./EMSL_api.py
""" % " ".join(["get_list_basis", "get_list_elements", "get_basis_data", "get_list_formats", "create_db", "-h", "--help", "--version"])
with open(path + "/EMSL_api.rc", "w") as f:
f.write("export EMSL_API_ROOT=%s" % path + "\n")
f.write("export PYTHONPATH=${PYTHONPATH}:${EMSL_API_ROOT}/src" + "\n")
f.write(completion_function)
print "Source EMSL_api.rc, pls"