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: git://github.com/pseewald/fprettify
   rev: v0.3.3

Makefile

@@ -24,19 +24,19 @@ all: wannier lib post w90chk2chk w90pov w90vdw w90spn2spn
 
 doc: thedoc
 
-w90chk2chk: objdir 
+w90chk2chk: objdir
 	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) w90chk2chk)
 
-w90spn2spn: objdir 
+w90spn2spn: objdir
 	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) w90spn2spn)
 
-wannier: objdir 
+wannier: objdir
 	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) wannier)
 
-lib: objdir 
+lib: objdir
 	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) libs)
 
-dynlib: objdir 
+dynlib: objdir
 	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) dynlibs)
 
 w90pov:
@@ -68,17 +68,17 @@ veryclean: clean
 	cd $(ROOTDIR) && rm -f wannier90.x postw90.x libwannier.a libwan2.a w90chk2chk.x w90spn2spn.x
 	cd $(ROOTDIR)/doc && rm -f user_guide.pdf tutorial.pdf
 	cd $(ROOTDIR)/doc/user_guide && rm -f user_guide.ps
-	cd $(ROOTDIR)/doc/tutorial && rm -f tutorial.ps 
+	cd $(ROOTDIR)/doc/tutorial && rm -f tutorial.ps
 	cd $(ROOTDIR)/test-suite && ./clean_tests -i
 
 thedoc:
-	$(MAKE) -C $(ROOTDIR)/doc/user_guide 
-	$(MAKE) -C $(ROOTDIR)/doc/tutorial 
+	$(MAKE) -C $(ROOTDIR)/doc/user_guide
+	$(MAKE) -C $(ROOTDIR)/doc/tutorial
 
 # For now hardcoded to 3.1.0, and using HEAD
 # Better to get the version from the io.F90 file and use
 # the tag (e.g. v3.1.0) instead of HEAD
-dist: 
+dist:
 	cd $(ROOTDIR) && git archive HEAD --prefix=wannier90-3.1.0/ -o wannier90-3.1.0.tar.gz
 
 dist-legacy:
@@ -174,10 +174,10 @@ dist-legacy:
 		./CHANGE.log \
 	)
 
-test-serial: w90chk2chk wannier post  
+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=default --numprocs=4 )
 
 # Alias
@@ -199,7 +199,7 @@ dist-lite:
 		./CHANGE.log \
 	)
 
-objdir: 
+objdir:
 	@( cd $(ROOTDIR) && if [ ! -d src/obj ] ; \
 		then mkdir src/obj ; \
 	fi ) ;

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
 
 
 
@@ -123,7 +123,7 @@ 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
 	 $(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
 
 disentangle.o: ../disentangle.F90 constants.o io.o types.o sitesym.o comms.o wannier90_types.o
@@ -180,10 +180,10 @@ 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 
+postw90_readwrite.o: $(POSTDIR)postw90_readwrite.F90 comms.o postw90_types.o types.o utility.o constants.o io.o
 	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)postw90_readwrite.F90
 
 wannier_lib.o: ./constants.o ./io.o ./utility.o ./types.o \
@@ -194,4 +194,3 @@ wannier_lib.o: ./constants.o ./io.o ./utility.o ./types.o \
 
 
 .PHONY: wannier libs post clean mpi_test w90spn2spn
-

src/comms.F90

@@ -1349,4 +1349,3 @@ subroutine comms_scatterv_int_3(array, localcount, rootglobalarray, counts, disp
 
   end subroutine comms_scatterv_int_3
 end module w90_comms
-

src/plot.F90

@@ -2074,4 +2074,3 @@ subroutine plot_bvec(kmesh_info, num_kpts, stdout, seedname)
   end subroutine plot_bvec
 
 end module w90_plot
-

src/postw90/postw90.F90

@@ -504,4 +504,3 @@ program postw90
   call comms_end
 
 end program postw90
-

src/sitesym.F90

@@ -674,4 +674,3 @@ subroutine sitesym_dealloc(sitesym, stdout, seedname)
   end subroutine sitesym_dealloc
 
 end module w90_sitesym
-

src/transport.F90

@@ -3750,4 +3750,3 @@ 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

@@ -769,4 +769,3 @@ program w90chk2chk
   call comms_end
 
 end program w90chk2chk
-

src/w90spn2spn.F90

@@ -428,4 +428,3 @@ program w90spn2spn
   call comms_end
 
 end program w90spn2spn
-

src/wannier_prog.F90

@@ -503,4 +503,3 @@ program wannier
   call comms_end
 
 end program wannier
-