diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 58aca208..c9c28e8f 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -14,13 +14,17 @@ repos: )$ - id: trailing-whitespace files: (?x)^( + Makefile| config/make[.]inc[.\w]*| - tutorials/tutorial\d\d[-]?\w*/.+win + tutorials/tutorial\d\d[-]?\w*/.+win| + src/.+ )$ - id: end-of-file-fixer files: (?x)^( + Makefile| config/make[.]inc[.\w]*| - tutorials/tutorial\d\d[-]?\w*/.+win + tutorials/tutorial\d\d[-]?\w*/.+win| + src/.+ )$ - repo: https://github.com/pseewald/fprettify rev: v0.3.3 diff --git a/Makefile b/Makefile index d2317960..a9ea8569 100644 --- a/Makefile +++ b/Makefile @@ -199,7 +199,7 @@ 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 diff --git a/src/Makefile.2 b/src/Makefile.2 index 9b3c1b0f..8ab27d2a 100644 --- a/src/Makefile.2 +++ b/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 @@ -130,7 +130,7 @@ 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 @@ -193,11 +193,10 @@ 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 error.o $(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)postw90_readwrite.F90 .PHONY: wannier libs post clean mpi_test w90spn2spn - diff --git a/src/comms.F90 b/src/comms.F90 index 6a8609cd..af02d9dd 100644 --- a/src/comms.F90 +++ b/src/comms.F90 @@ -1920,5 +1920,4 @@ 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 diff --git a/src/error.F90 b/src/error.F90 index a5435612..8066d559 100644 --- a/src/error.F90 +++ b/src/error.F90 @@ -103,4 +103,3 @@ subroutine set_error_warn(err, mesg, comm) end subroutine set_error_warn end module w90_error - diff --git a/src/readwrite.F90 b/src/readwrite.F90 index 476ded57..d139d266 100644 --- a/src/readwrite.F90 +++ b/src/readwrite.F90 @@ -4295,7 +4295,7 @@ subroutine init_settings(settings) end subroutine init_settings subroutine expand_settings(settings) ! this is a compromise to avoid a fixed size - type(settings_data), allocatable :: nentries(:); + type(settings_data), allocatable :: nentries(:) type(settings_type), intent(inout) :: settings integer :: n, m ! old, new sizes integer, parameter :: incsize = 20 ! default increment when settings array grows diff --git a/src/w90chk2chk.F90 b/src/w90chk2chk.F90 index f4e62ed8..facdaf70 100644 --- a/src/w90chk2chk.F90 +++ b/src/w90chk2chk.F90 @@ -757,4 +757,3 @@ program w90chk2chk close (unit=stdout) end program w90chk2chk - diff --git a/src/w90spn2spn.F90 b/src/w90spn2spn.F90 index 3280ab9d..26f2cd0e 100644 --- a/src/w90spn2spn.F90 +++ b/src/w90spn2spn.F90 @@ -409,4 +409,3 @@ program w90spn2spn close (unit=stdout) end program w90spn2spn -