add more whitespace checking and fixes

.pre-commit-config.yaml

@@ -5,13 +5,17 @@ repos:
   - id: check-yaml
   - id: trailing-whitespace
     files: (?x)^(
+        Makefile|
         config/make[.]inc[.\w]*|
-        examples/example\d\d[-]?\w*/.+win
+        examples/example\d\d[-]?\w*/.+win|
+        src/.+
       )$
   - id: end-of-file-fixer
     files: (?x)^(
+        Makefile|
         config/make[.]inc[.\w]*|
-        examples/example\d\d[-]?\w*/.+win
+        examples/example\d\d[-]?\w*/.+win|
+        src/.+
       )$
 - repo: https://github.com/pseewald/fprettify
   rev: v0.3.3

Makefile

@@ -202,7 +202,7 @@ dist-legacy:
 test-serial: w90chk2chk wannier post
 	(cd $(ROOTDIR)/test-suite && ./run_tests --category=default )
 
-test-parallel: w90chk2chk wannier post 
+test-parallel: w90chk2chk wannier post
 	(cd $(ROOTDIR)/test-suite && ./run_tests --category=par --numprocs=4 )
 
 # Alias

src/Makefile.2

@@ -1,4 +1,4 @@
-# -*- MakeFile -*- 
+# -*- MakeFile -*-
 #  Should be no need to change below this line
 #
 
@@ -36,7 +36,7 @@ endif
 
 wannier libs dynlibs w90chk2chk w90spn2spn: POSTOPTS = $(TEMP1)
 wannier libs dynlibs w90chk2chk w90spn2spn: COMPILER = $(TEMP2)
-wannier: ../../wannier90.x 
+wannier: ../../wannier90.x
 w90chk2chk: ../../w90chk2chk.x
 w90spn2spn: ../../w90spn2spn.x
 
@@ -51,7 +51,7 @@ w90spn2spn: ../../w90spn2spn.x
 
 $(LIBRARYV2): $(OBJS)
 	$(AR) $(ARFLAGS) $(LIBRARYV2) $(OBJS)
-        
+
 post: POSTOPTS = $(TEMP1)
 post: COMPILER = $(TEMP2)
 post: mpi_test ../../postw90.x
@@ -71,11 +71,11 @@ ifndef MPIF90
 	$(info *  On many systems MPIF90=mpif90 will work      *) \
 	$(info ********************* STOP **********************) \
 	$(info  ) \
-	$(error MPIF90 is not set) 
+	$(error MPIF90 is not set)
 
 endif
 
-endif 
+endif
 
 
 
@@ -120,7 +120,7 @@ hamiltonian.o: ../hamiltonian.F90 ws_distance.o constants.o io.o utility.o types
 overlap.o: ../overlap.F90 constants.o io.o utility.o types.o sitesym.o wannier90_types.o comms.o error.o
 	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../overlap.F90
 
-kmesh.o: ../kmesh.F90 constants.o io.o utility.o types.o 
+kmesh.o: ../kmesh.F90 constants.o io.o utility.o types.o
 	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../kmesh.F90
 
 error_base.o: ../error_base.F90
@@ -183,7 +183,7 @@ wan_ham.o: $(POSTDIR)wan_ham.F90 types.o postw90_types.o constants.o utility.o p
 postw90_common.o: $(POSTDIR)postw90_common.F90 postw90_types.o ws_distance.o comms.o types.o utility.o constants.o io.o
 	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)postw90_common.F90
 
-postw90_types.o: $(POSTDIR)postw90_types.F90 comms.o types.o utility.o constants.o io.o 
+postw90_types.o: $(POSTDIR)postw90_types.F90 comms.o types.o utility.o constants.o io.o
 	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)postw90_types.F90
 
 postw90_readwrite.o: $(POSTDIR)postw90_readwrite.F90 comms.o postw90_types.o types.o utility.o constants.o io.o error.o
@@ -197,4 +197,3 @@ wannier_lib.o: ./constants.o ./io.o ./utility.o ./types.o \
 
 
 .PHONY: wannier libs post clean mpi_test w90spn2spn
-

src/comms.F90

@@ -1921,5 +1921,4 @@ subroutine comms_scatterv_int_3(array, localcount, rootglobalarray, counts, disp
     call comms_no_sync_scatterv_int_3(array, localcount, rootglobalarray, counts, displs, &
                                       error, comm)
   end subroutine comms_scatterv_int_3
-
 end module w90_comms

src/error.F90

@@ -103,4 +103,3 @@ subroutine set_error_warn(err, mesg, comm)
   end subroutine set_error_warn
 
 end module w90_error
-

src/transport.F90

@@ -4557,4 +4557,3 @@ subroutine tran_lcr_2c2_build_ham(pl_warning, real_space_ham, fermi_energy_list,
   end subroutine tran_lcr_2c2_build_ham
 
 end module w90_transport
-

src/w90chk2chk.F90

@@ -756,4 +756,3 @@ program w90chk2chk
   close (unit=stdout)
 
 end program w90chk2chk
-

src/w90spn2spn.F90

@@ -418,4 +418,3 @@ program w90spn2spn
   close (unit=stdout)
 
 end program w90spn2spn
-

src/wannier_prog.F90

@@ -646,4 +646,3 @@ subroutine prterr(error, stdout, stderr, comm)
   end subroutine prterr
 
 end program wannier
-