VMD with python environment variables

source_me.sh

#!/bin/bash                                                                                    
# All variables needed to compile all plugins                                                  
                                                                                               
export VMDDIR="/opt/vmd_py3"            # Will be installed to this location                                                        
export VMDINSTALLNAME="vmd-1.9.4-py3"   # Executable will have this name                                                        
export VMDINSTALLBINDIR="$VMDDIR"                                                              
export VMDINSTALLLIBRARYDIR="$VMDDIR"                                                          
export PLUGINDIR="$VMDDIR/plugins"                                                             
                                                                                               
export ANACONDIR="/home/robin/miniconda/"     # Python installation to build against                                                 
export LD_LIBRARY_PATH="/opt/python_dev/lib/:$LD_LIBRARY_PATH"                                             
export LD_LIBRARY_PATH="$ANACONDIR/lib:$LD_LIBRARY_PATH"                                      
                                                                                               
export NETCDFLIB="-L$ANACONDIR/lib"                                                            
export NETCDFINC="-I$ANACONDIR/include"                                                        
export NETCDFLDFLAGS="-lnetcdf"                                                                
 
# Build against conda installation tcl=8.5
export TCLLIB="-L$ANACONDIR/lib"                                      
export TCLINC="-I$ANACONDIR/include"                                                
export TCLLDFLAGS="-ltcl8.5"                                

# Build against conda installation of sqlite
export SQLITELIB="-L$ANACONDIR/lib"                                                            
export SQLITEINC="-I$ANACONDIR/include"                                                        
export SQLITELDFLAGS="-lsqlite3"                                                               
 
# Build against conda installation of expat
export EXPATLIB="-L$ANACONDIR/lib"                                                             
export EXPATINC="-I$ANACONDIR/include"                                                         
export EXPATLDFLAGS="-lexpat"                                                                  

# Build against conda numpy
export NUMPY_LIBRARY_DIR="$ANACONDIR/lib/python3.6/site-packages/numpy/core/lib"               
export NUMPY_INCLUDE_DIR="$ANACONDIR/lib/python3.6/site-packages/numpy/core/include"           

# Build against conda tcl (yes, these are listed twice with different names)
export TCL_LIBRARY_DIR="$ANACONDIR/lib"                                                        
export TCL_INCLUDE_DIR="$ANACONDIR/include"                                                    

# These paths can change depending on python version
export PYTHON_LIBRARY_DIR="$ANACONDIR/lib/python3.6"                                          
export PYTHON_INCLUDE_DIR="$ANACONDIR/include/python3.6m"                                                                   

# Get it to link correctly
export VMDEXTRALIBS="$SQLITELDFLAGS $EXPATLDFLAGS"                                             
                                                                                               
# MPI (if desired)                                                                                         
export C_INCLUDE_PATH=/usr/include/x86_64-linux-gnu/mpich:$C_INCLUDE_PATH                      
export INCLUDE=/usr/include/x86_64-linux-gnu/mpich:$INCLUDE