Merge pull request optados-developers#29 from ajm143/develop

Addition of the --version command.

optados/src/Makefile

@@ -5,7 +5,7 @@ include ../make.system
 
 #-------------------------------------------
 # T H I N G S   Y O U   S H O U L D
-# P R O B A B L Y   L E A V E   T O   T H E 
+# P R O B A B L Y   L E A V E   T O   T H E
 # D E V E L O P E R S
 
 ifeq ($(BUILD), debug)
@@ -28,7 +28,7 @@ endif
 EXTENSION:=.x
 
 # Put object names here
-OBJS=algorithms.o cell.o comms.o constants.o core.o dos.o dos_utils.o electronic.o io.o jdos.o jdos_utils.o optics.o parameters.o pdos.o pdis.o projection_utils.o xmgrace_utils.o
+OBJS=build.o algorithms.o cell.o comms.o constants.o core.o dos.o dos_utils.o electronic.o io.o jdos.o jdos_utils.o optics.o parameters.o pdos.o pdis.o projection_utils.o xmgrace_utils.o
 
 all : optados tools
 
@@ -38,7 +38,7 @@ od2od : od2od.f90 $(OBJS) ../make.system
 	$(F90) $(FFLAGS) $< $(OBJS) -o ../od2od
 
 optados : optados.f90 $(OBJS) ../make.system
-	$(F90) $(FFLAGS) $< $(OBJS) -o ../optados$(EXTENSION) 
+	$(F90) $(FFLAGS) $< $(OBJS) -o ../optados$(EXTENSION)
 
 algorithms.o : algorithms.f90 io.o constants.o ../make.system
 	$(F90) -c $(FFLAGS) $<
@@ -91,6 +91,13 @@ projection_utils.o : projection_utils.f90 cell.o comms.o constants.o cell.o elec
 xmgrace_utils.o : xmgrace_utils.f90 io.o constants.o ../make.system
 	$(F90) -c $(FFLAGS) $<
 
+build.f90 : 
+	./make_build_info.sh
+
+build.o : build.f90 ../make.system
+	$(F90) -c $(FFLAGS) $<
+
+
 
 # Utility targets
 .PHONY: clean veryclean
@@ -103,5 +110,5 @@ clean:
 veryclean: clean
 	rm -f optados$(EXTENSION) optados$(EXTENSION).debug optados$(EXTENSION).mpi od2od
 
-install: 
+install:
 	cp optados$(EXTENSION) $(INSTALL_DIR)

optados/src/make_build_info.sh

@@ -0,0 +1,30 @@
+#!/bin/bash
+
+BUILD=`git describe --tags`
+COMPILER=`grep SYSTEM ../make.system | head -n 1 | awk '{print $3}'` 
+BUILD_TYPE=`grep BUILD ../make.system | head -n 1 | awk '{print $3}'`
+COMMS_ARCH=`grep COMMS_ARCH ../make.system | head -n 1 | awk '{print $3}'`
+SOURCE_TIME=`git log | grep Date | head -n 1 |awk '{print $5}'`
+SOURCE_DATE=`git log | grep Date | head -n 1 |awk '{print $2, $4, $3, $6}'`
+COMPILE_TIME=`date +"%R %Z"`
+COMPILE_DATE=`date +"%a %e %b %Y"`
+
+echo "module od_build" > build.f90
+echo " implicit none" >> build.f90
+echo " ">> build.f90
+echo " private ! unless otherwise stated" >> build.f90
+echo " " >> build.f90
+echo " type, public ::  build_info_type" >> build.f90 
+echo "  character(len=20) :: build='"${BUILD}"'" >> build.f90
+echo "  character(len=20) :: compiler='"${COMPILER}"'" >> build.f90
+echo "  character(len=20) :: build_type='"${BUILD_TYPE}"'" >> build.f90
+echo "  character(len=20) :: comms_arch='"${COMMS_ARCH}"'" >> build.f90
+echo "  character(len=20) :: source_time='"${SOURCE_TIME}"'" >> build.f90
+echo "  character(len=20) :: source_date='"${SOURCE_DATE}"'" >> build.f90
+echo "  character(len=20) :: compile_date='"${COMPILE_DATE}"'" >> build.f90
+echo "  character(len=20) :: compile_time='"${COMPILE_TIME}"'" >> build.f90
+echo " end type build_info_type" >> build.f90
+
+echo " type(build_info_type), public, save :: build_info" >> build.f90
+
+echo "endmodule od_build" >> build.f90

optados/src/optados.f90

@@ -47,6 +47,7 @@ program optados
   use od_pdos, only: pdos_calculate
   use od_pdis, only: pdis_calculate
   use od_optics, only: optics_calculate
+  use od_build, only: build_info
   implicit none
 
   real(kind=dp)    :: time0, time1       ! Varaibles for timing
@@ -63,7 +64,7 @@ program optados
     call io_get_seedname()
     ! If blank set to seedname='--help'
     if (trim(seedname) == '-h' .or. trim(seedname) == '--help') call help_output
-
+    if (trim(seedname) == '-v' .or. trim(seedname) == '--version') call version_output
     !-------------------------------------------------------------------------!
     ! O R G A N I S E   T H E   E R R O R   F I L E
     stderr = io_file_unit()
@@ -247,4 +248,22 @@ subroutine help_output
     stop
   end subroutine help_output
 
+  subroutine version_output
+    use od_build, only: build_info
+    use od_constants, only: optados_version, copyright
+    implicit none
+    write (*, *)
+    write (*, *) " OptaDOS ver.", trim(optados_version)
+    write (*, *)
+    write (*, *) " Andrew J. Morris, R. J. Nicholls, C. J. Pickard and J. R. Yates", trim(copyright)
+    write (*, *) " Compiled with "//trim(build_info%compiler)//" on "//trim(build_info%compile_date)&
+         & //" at "//trim(build_info%compile_time)//"."
+    write(*, *) " Compile type: "//trim(build_info%build_type)//", "//trim(build_info%comms_arch)
+    write(*, *) " From source "//trim(build_info%build)//" submitted on "//trim(build_info%source_date)&
+         &//" at " //trim(build_info%source_time)//"."
+
+
+    stop
+  end subroutine version_output
+
 end program optados