Added a shell script for running PLOVasp converter

The script simply runs pytriqs with an auto-executable module
`plovasp.converter`.

CMakeLists.txt

@@ -33,6 +33,7 @@ set(CMAKE_INSTALL_PREFIX ${TRIQS_PATH})
 
 add_subdirectory(fortran/dmftproj) 
 add_subdirectory(python)
+add_subdirectory(shells)
 add_subdirectory(test)
 option(BUILD_DOC "Build documentation" OFF)
 if(${BUILD_DOC})

python/CMakeLists.txt

@@ -8,7 +8,4 @@ configure_file(${CMAKE_SOURCE_DIR}/cmake/sitecustomize.py ${CMAKE_CURRENT_BINARY
 # make a local pytriqs copy
 triqs_prepare_local_pytriqs(${python_destination})
 
-# to be able to run from toplevel
-execute_process(COMMAND ln -fs ${CMAKE_BINARY_DIR}/fortran/vertex/vertex.so ${CMAKE_BINARY_DIR}/pytriqs/${python_destination})
-
 add_subdirectory(converters/plovasp)

python/converters/plovasp/converter.py

@@ -63,9 +63,15 @@ def generate_and_output_as_text(conf_filename, vasp_dir):
     output_as_text(pars, el_struct, pshells, pgroups)
 
 def main():
+    """
+    This function should not be called directly but via a bash script
+    'plovasp' invoking the main function as follows:
+
+      pytriqs -m applications.dft.converters.plovasp.converter $@
+    """
     narg = len(sys.argv)
     if narg < 2:
-        raise SystemExit("  Usage: python main.py <conf-file> [<path-to-vasp-calcultaion>]")
+        raise SystemExit("  Usage: plovasp <conf-file> [<path-to-vasp-calcultaion>]")
     else:
         filename = sys.argv[1]
         if narg > 2:
@@ -79,3 +85,4 @@ def main():
 
 if __name__ == '__main__':
     main()
+

shells/CMakeLists.txt

@@ -0,0 +1,5 @@
+
+configure_file(plovasp.bash.in plovasp)
+install(FILES ${CMAKE_CURRENT_BINARY_DIR}/plovasp DESTINATION bin
+        PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
+

shells/plovasp.bash.in

@@ -0,0 +1,4 @@
+#!/bin/bash
+
+pytriqs -m applications.dft.converters.plovasp.converter $@
+