python-patch-AutoDockTools

#!/bin/sh

#
# this script is used by me to start python
#

######
## Set some environment variable.
MGL_ROOT="/home/xiang/Applications/mgltools_x86_64Linux2_1.5.7" 
export MGL_ROOT

MGL_ARCHOSV=`$MGL_ROOT/bin/archosv`
export MGL_ARCHOSV

MGL_EXTRALIBS="$MGL_ROOT/lib"
export MGL_EXTRALIBS

MGL_EXTRAINCLUDE="$MGL_ROOT/include"
export MGL_EXTRAINCLUDE

PATH="$MGL_ROOT/bin:$PATH"
export PATH

TCL_LIBRARY="$MGL_ROOT/tcl8.5"
export TCL_LIBRARY

TK_LIBRARY="$MGL_ROOT/tk8.5"
export TK_LIBRARY

# Open Babel formats, plugins directory:
BABEL_LIBDIR="$MGL_ROOT/lib/openbabel/2.4.1"
export BABEL_LIBDIR
BABEL_DATADIR="$MGL_ROOT/share/openbabel/2.4.1"
export BABEL_DATADIR

MY_NEW_PYTHON=$MGL_ROOT/my-build-python-2.7.13

LD_LIBRARY_PATH="$MGL_ROOT/lib:$MY_NEW_PYTHON/lib:$LD_LIBRARY_PATH"
export LD_LIBRARY_PATH

unset PYTHONHOME
PYTHONHOME="$MGL_ROOT"
export PYTHONHOME

PYTHONPATH="$MGL_ROOT/MGLToolsPckgs"
export PYTHONPATH

$MY_NEW_PYTHON/bin/python $@



cat <<EOF
1. install a similar python by using current version, py2
2. install all needed packages inside py2
3. add py2 `site-packages` into original path by using `pth` file,
    be careful with the precedence of names, suggest to use `zz.pth`
4. stop `ipython` reading system wide configurations if necessary.


```
if __name__ == '__main__':
    import os
    from IPython import start_ipython
    # a path should be added, otherwise, new initialized folders
    # will be creatd at every time where ipython starts
    os.environ['IPYTHONDIR'] = 'dirpath'
    start_ipython()
```

5. start by using `adt -i`, then embed IPython Shell inside it,
    by commands inside Python idle(teminal):

```
import IPython
IPython.embed()
```
EOF