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mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-12-22 12:23:39 +01:00

Merge pull request #5 from scemama/master

Simplified try/except with docopt
This commit is contained in:
Thomas Applencourt 2015-01-12 14:21:39 +01:00
commit 038b89645d
3 changed files with 5 additions and 68 deletions

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@ -33,14 +33,10 @@ version = "0.2.0"
import sys
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)
from src.docopt import docopt
from src.EMSL_utility import EMSL_dump
from src.EMSL_utility import format_dict
from src.EMSL_utility import EMSL_local
if __name__ == '__main__':
@ -50,7 +46,7 @@ if __name__ == '__main__':
db_path = arguments["--db_path"]
else:
import os
db_path = os.path.dirname(sys.argv[0]) + "/db/Gamess-us.db"
db_path = os.path.dirname(__file__) + "/db/Gamess-us.db"
# _ _ _ ______ _
#| | (_) | | | ___ \ (_)

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@ -1,59 +0,0 @@
#!/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"

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src/__init__.py Normal file
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