Introduce inpgen help mode

cmake/Files_and_Targets.txt

@@ -47,7 +47,7 @@ init/tetcon.f init/kvecon.f
 )
 
 set(inpgen_F90  io/xsf_io.f90
-global/types.F90 global/enpara.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 io/rw_inp.f90 juDFT/juDFT.F90
+global/types.F90 global/enpara.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 inpgen/inpgen_help.f90 io/rw_inp.f90 juDFT/juDFT.F90
 juDFT/info.F90 juDFT/stop.F90 juDFT/args.F90 juDFT/time.F90 juDFT/init.F90 juDFT/sysinfo.F90 io/w_inpXML.f90 init/julia.f90 global/utility.F90 
 init/compile_descr.F90 io/xmlOutput.F90 init/brzone2.f90)
 

inpgen/CMakeLists.txt

@@ -20,4 +20,5 @@ inpgen/write_struct.f
 )
 set(fleur_F90 ${fleur_F90}
 inpgen/set_inp.f90
+inpgen/inpgen_help.f90
 )

inpgen/inpgen.f90

@@ -23,6 +23,7 @@ PROGRAM inpgen
       USE m_writestruct
       USE m_xsf_io, ONLY : xsf_write_atoms
       USE m_types
+      USE m_inpgen_help
       IMPLICIT NONE
     
       INTEGER natmax,nop48,nline,natin,ngen,i,j,bfh
@@ -53,7 +54,9 @@ PROGRAM inpgen
           TYPE(t_sym)      :: sym
           TYPE(t_noco)     :: noco
           TYPE(t_vacuum)   :: vacuum
-       
+      
+      CALL inpgen_help()
+
       nop48 = 48
       natmax = 9999
       ngen = 0

inpgen/inpgen_help.f90

+!--------------------------------------------------------------------------------
+! Copyright (c) 2017 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
+! This file is part of FLEUR and available as free software under the conditions
+! of the MIT license as expressed in the LICENSE file in more detail.
+!--------------------------------------------------------------------------------
+MODULE m_inpgen_help
+  IMPLICIT NONE
+CONTAINS
+  SUBROUTINE inpgen_help()
+    USE m_compile_descr
+    USE m_constants
+    USE m_juDFT
+    IMPLICIT NONE
+    CHARACTER(LEN=500):: infostring
+
+    PRINT *,"     Welcome to FLEUR - inpgen   (www.flapw.de)   "
+    PRINT *,"     MaX-Release 1             (www.max-centre.eu)"
+
+    IF (.NOT. (juDFT_was_argument("-h").OR.juDFT_was_argument("--help"))) RETURN
+
+    !now print version info and help on command line arguments:
+    CALL get_compile_desc_string(infostring)
+    WRITE(*,'(a500)') infostring
+    WRITE(*,'(a)')
+    WRITE(*,'(a)')"------------------------------------------------------"
+    WRITE(*,'(a)')"inpgen usage info:"
+    WRITE(*,'(a)')"The following command line options are known:"
+    WRITE(*,'(a)')""
+    WRITE(*,'(a)')"-old              : generate input files for old fleur versions"
+    WRITE(*,'(a)')"-genEnpara        : write enpara file"
+    WRITE(*,'(a)')"-explicit         : write out k-point list, symmetry operations,"
+    WRITE(*,'(a)')"                    and optional input to inp.xml"
+    WRITE(*,'(a)')"-fast_defaults    : generate more aggressive (and less stable)"
+    WRITE(*,'(a)')"                    input parameters for faster calculations"
+    WRITE(*,'(a)')""
+    WRITE(*,'(a)')"-h, --help        : print this text :-)"
+    WRITE(*,'(a)')""
+    WRITE(*,'(a)')""
+    WRITE(*,'(a)')"Please check the documentation on www.flapw.de for more details"
+
+    CALL juDFT_error("help was written")
+  END SUBROUTINE inpgen_help
+END MODULE m_inpgen_help