diff --git a/doc/Makefile b/doc/Makefile index 8fbdb4e..31ab3c1 100644 --- a/doc/Makefile +++ b/doc/Makefile @@ -18,13 +18,13 @@ user-man: .PHONY: devel-man devel-man: - cp $(BLD)/pscf.f $(SRC)/pscf.f - cp $(BLD)/scf_mod.f $(SRC)/scf/scf_mod.f - cp $(BLD)/iterate_mod.f $(SRC)/iterate/iterate_mod.f + cp $(BLD)/pscf.f90 $(SRC)/pscf.f90 + cp $(BLD)/scf_mod.f90 $(SRC)/scf/scf_mod.f90 + cp $(BLD)/iterate_mod.f90 $(SRC)/iterate/iterate_mod.f90 $(PYTHON) $(GDOC) - rm $(SRC)/pscf.f - rm $(SRC)/scf/scf_mod.f - rm $(SRC)/iterate/iterate_mod.f + rm $(SRC)/pscf.f90 + rm $(SRC)/scf/scf_mod.f90 + rm $(SRC)/iterate/iterate_mod.f90 .PHONY: clean diff --git a/make/Makefile b/make/Makefile index a328e76..523180d 100644 --- a/make/Makefile +++ b/make/Makefile @@ -20,7 +20,7 @@ all: make pscf clean: - rm -f *.o *.mod *.f pscf + rm -f *.o *.mod *.f90 pscf pscf: pscf.o\ const_mod.o string_mod.o io_mod.o version_mod.o field_io_mod.o\ @@ -38,15 +38,15 @@ pscf: pscf.o\ response_mod.o response_step_mod.o extrapolate_mod.o \ $(LIBDIRS) $(FFTWLIB) $(LAPACKLIB) -lm -pscf.o: pscf.f const_mod.o io_mod.o version_mod.o\ +pscf.o: pscf.f90 const_mod.o io_mod.o version_mod.o\ unit_cell_mod.o chemistry_mod.o field_io_mod.o\ sweep_mod.o iterate_mod.o scf_mod.o basis_mod.o\ spinodal_mod.o\ response_mod.o $(FFT_FILE).o response_step_mod.o extrapolate_mod.o - $(F90) $(FAST) -c pscf.f + $(F90) $(FAST) -c pscf.f90 -pscf.f: $(SRC)/pscf.fp.f - $(FORPEDO) $(DEVEL) $(SRC)/pscf.fp.f > pscf.f +pscf.f90: $(SRC)/pscf.fp.f90 + $(FORPEDO) $(DEVEL) $(SRC)/pscf.fp.f90 > pscf.f90 # ====== Install ================================================= @@ -67,128 +67,128 @@ uninstall: # ====== Modules ================================================= -const_mod.o: $(SRC)/const_mod.f - $(F90) $(FAST) -c $(SRC)/const_mod.f +const_mod.o: $(SRC)/const_mod.f90 + $(F90) $(FAST) -c $(SRC)/const_mod.f90 # io Directory -string_mod.o: $(SRC)/io/string_mod.f - $(F90) $(FAST) -c $(SRC)/io/string_mod.f +string_mod.o: $(SRC)/io/string_mod.f90 + $(F90) $(FAST) -c $(SRC)/io/string_mod.f90 -io_mod.o: $(SRC)/io/io_mod.f const_mod.o string_mod.o - $(F90) $(FAST) -c $(SRC)/io/io_mod.f +io_mod.o: $(SRC)/io/io_mod.f90 const_mod.o string_mod.o + $(F90) $(FAST) -c $(SRC)/io/io_mod.f90 -version_mod.o: $(SRC)/io/version_mod.f - $(F90) $(FAST) -c $(SRC)/io/version_mod.f +version_mod.o: $(SRC)/io/version_mod.f90 + $(F90) $(FAST) -c $(SRC)/io/version_mod.f90 -field_io_mod.o: $(SRC)/io/field_io_mod.f const_mod.o io_mod.o\ +field_io_mod.o: $(SRC)/io/field_io_mod.f90 const_mod.o io_mod.o\ string_mod.o unit_cell_mod.o chemistry_mod.o basis_mod.o\ $(FFT_FILE).o grid_basis_mod.o - $(F90) $(FAST) -c $(SRC)/io/field_io_mod.f + $(F90) $(FAST) -c $(SRC)/io/field_io_mod.f90 # grid directory -grid_mod.o: $(SRC)/grid/grid_mod.f const_mod.o\ +grid_mod.o: $(SRC)/grid/grid_mod.f90 const_mod.o\ group_mod.o unit_cell_mod.o - $(F90) $(FAST) -c $(SRC)/grid/grid_mod.f + $(F90) $(FAST) -c $(SRC)/grid/grid_mod.f90 -$(FFT_FILE).o: $(SRC)/grid/$(FFT_FILE).f const_mod.o - $(F90) $(FAST) -c $(SRC)/grid/$(FFT_FILE).f +$(FFT_FILE).o: $(SRC)/grid/$(FFT_FILE).f90 const_mod.o + $(F90) $(FAST) -c $(SRC)/grid/$(FFT_FILE).f90 # crystal directory -group_mod.o: $(SRC)/crystal/group_mod.f const_mod.o version_mod.o - $(F90) $(FAST) -c $(SRC)/crystal/group_mod.f +group_mod.o: $(SRC)/crystal/group_mod.f90 const_mod.o version_mod.o + $(F90) $(FAST) -c $(SRC)/crystal/group_mod.f90 -unit_cell_mod.o: $(SRC)/crystal/unit_cell_mod.f const_mod.o\ +unit_cell_mod.o: $(SRC)/crystal/unit_cell_mod.f90 const_mod.o\ io_mod.o group_mod.o - $(F90) $(FAST) -c $(SRC)/crystal/unit_cell_mod.f + $(F90) $(FAST) -c $(SRC)/crystal/unit_cell_mod.f90 -space_groups_mod.o: $(SRC)/crystal/space_groups_mod.f const_mod.o\ +space_groups_mod.o: $(SRC)/crystal/space_groups_mod.f90 const_mod.o\ group_mod.o - $(F90) $(NOPT) -c $(SRC)/crystal/space_groups_mod.f + $(F90) $(NOPT) -c $(SRC)/crystal/space_groups_mod.f90 -basis_mod.o: $(SRC)/crystal/basis_mod.f\ +basis_mod.o: $(SRC)/crystal/basis_mod.f90\ const_mod.o string_mod.o io_mod.o\ group_mod.o space_groups_mod.o unit_cell_mod.o\ grid_mod.o - $(F90) $(FAST) -c $(SRC)/crystal/basis_mod.f + $(F90) $(FAST) -c $(SRC)/crystal/basis_mod.f90 -grid_basis_mod.o: $(SRC)/crystal/grid_basis_mod.f const_mod.o\ +grid_basis_mod.o: $(SRC)/crystal/grid_basis_mod.f90 const_mod.o\ grid_mod.o basis_mod.o - $(F90) $(FAST) -c $(SRC)/crystal/grid_basis_mod.f + $(F90) $(FAST) -c $(SRC)/crystal/grid_basis_mod.f90 -deform_mod.o: $(SRC)/crystal/deform_mod.f\ +deform_mod.o: $(SRC)/crystal/deform_mod.f90\ const_mod.o string_mod.o io_mod.o\ group_mod.o space_groups_mod.o unit_cell_mod.o\ grid_mod.o basis_mod.o - $(F90) $(FAST) -c $(SRC)/crystal/deform_mod.f + $(F90) $(FAST) -c $(SRC)/crystal/deform_mod.f90 # scf directory -chemistry_mod.o: $(SRC)/scf/chemistry_mod.f const_mod.o io_mod.o - $(F90) $(FAST) -c $(SRC)/scf/chemistry_mod.f +chemistry_mod.o: $(SRC)/scf/chemistry_mod.f90 const_mod.o io_mod.o + $(F90) $(FAST) -c $(SRC)/scf/chemistry_mod.f90 -chain_mod.o: $(SRC)/scf/chain_mod.f const_mod.o\ +chain_mod.o: $(SRC)/scf/chain_mod.f90 const_mod.o\ chemistry_mod.o $(FFT_FILE).o - $(F90) $(FAST) -c $(SRC)/scf/chain_mod.f + $(F90) $(FAST) -c $(SRC)/scf/chain_mod.f90 -step_mod.o: $(SRC)/scf/step_mod.f const_mod.o\ +step_mod.o: $(SRC)/scf/step_mod.f90 const_mod.o\ $(FFT_FILE).o - $(F90) $(FAST) -c $(SRC)/scf/step_mod.f + $(F90) $(FAST) -c $(SRC)/scf/step_mod.f90 -scf_mod.f: $(SRC)/scf/scf_mod.fp.f - $(FORPEDO) $(DEVEL) $(SRC)/scf/scf_mod.fp.f > scf_mod.f +scf_mod.f90: $(SRC)/scf/scf_mod.fp.f90 + $(FORPEDO) $(DEVEL) $(SRC)/scf/scf_mod.fp.f90 > scf_mod.f90 -scf_mod.o: scf_mod.f const_mod.o io_mod.o\ +scf_mod.o: scf_mod.f90 const_mod.o io_mod.o\ basis_mod.o chemistry_mod.o step_mod.o\ grid_mod.o chain_mod.o $(FFT_FILE).o grid_basis_mod.o - $(F90) $(FAST) -c scf_mod.f + $(F90) $(FAST) -c scf_mod.f90 #rpa directory -rpa_mod.o: $(SRC)/rpa/rpa_mod.f\ +rpa_mod.o: $(SRC)/rpa/rpa_mod.f90\ chemistry_mod.o const_mod.o - $(F90) $(FAST) -c $(SRC)/rpa/rpa_mod.f + $(F90) $(FAST) -c $(SRC)/rpa/rpa_mod.f90 -spinodal_mod.o: $(SRC)/rpa/spinodal_mod.f const_mod.o io_mod.o\ +spinodal_mod.o: $(SRC)/rpa/spinodal_mod.f90 const_mod.o io_mod.o\ response_pd_mod.o chemistry_mod.o - $(F90) $(FAST) -c $(SRC)/rpa/spinodal_mod.f + $(F90) $(FAST) -c $(SRC)/rpa/spinodal_mod.f90 # iterate directory -iterate_mod.f: $(SRC)/iterate/iterate_mod.fp.f - $(FORPEDO) $(DEVEL) $(SRC)/iterate/iterate_mod.fp.f > iterate_mod.f +iterate_mod.f90: $(SRC)/iterate/iterate_mod.fp.f90 + $(FORPEDO) $(DEVEL) $(SRC)/iterate/iterate_mod.fp.f90 > iterate_mod.f90 -iterate_mod.o: iterate_mod.f const_mod.o\ +iterate_mod.o: iterate_mod.f90 const_mod.o\ scf_mod.o basis_mod.o chemistry_mod.o unit_cell_mod.o\ response_pd_mod.o - $(F90) $(FAST) -c iterate_mod.f + $(F90) $(FAST) -c iterate_mod.f90 -response_pd_mod.o: $(SRC)/iterate/response_pd_mod.f const_mod.o io_mod.o\ +response_pd_mod.o: $(SRC)/iterate/response_pd_mod.f90 const_mod.o io_mod.o\ chemistry_mod.o basis_mod.o unit_cell_mod.o scf_mod.o\ grid_mod.o $(FFT_FILE).o - $(F90) $(FAST) -c $(SRC)/iterate/response_pd_mod.f + $(F90) $(FAST) -c $(SRC)/iterate/response_pd_mod.f90 -sweep_mod.o: $(SRC)/iterate/sweep_mod.f const_mod.o io_mod.o\ +sweep_mod.o: $(SRC)/iterate/sweep_mod.f90 const_mod.o io_mod.o\ chemistry_mod.o unit_cell_mod.o basis_mod.o - $(F90) $(FAST) -c $(SRC)/iterate/sweep_mod.f + $(F90) $(FAST) -c $(SRC)/iterate/sweep_mod.f90 # response directory -response_step_mod.o: $(SRC)/response/response_step_mod.f\ +response_step_mod.o: $(SRC)/response/response_step_mod.f90\ chemistry_mod.o $(FFT_FILE).o - $(F90) $(FAST) -c $(SRC)/response/response_step_mod.f + $(F90) $(FAST) -c $(SRC)/response/response_step_mod.f90 -extrapolate_mod.o: $(SRC)/response/extrapolate_mod.f\ +extrapolate_mod.o: $(SRC)/response/extrapolate_mod.f90\ const_mod.o - $(F90) $(FAST) -c $(SRC)/response/extrapolate_mod.f + $(F90) $(FAST) -c $(SRC)/response/extrapolate_mod.f90 -response_mod.o: $(SRC)/response/response_mod.f\ +response_mod.o: $(SRC)/response/response_mod.f90\ chemistry_mod.o const_mod.o chain_mod.o\ grid_mod.o $(FFT_FILE).o group_mod.o response_step_mod.o\ extrapolate_mod.o field_io_mod.o spinodal_mod.o - $(F90) $(FAST) -c $(SRC)/response/response_mod.f + $(F90) $(FAST) -c $(SRC)/response/response_mod.f90 # ======================================================== # tests subdirectory -rpa_test.o: $(SRC)/tests/rpa/test.f rpa_mod.o\ +rpa_test.o: $(SRC)/tests/rpa/test.f90 rpa_mod.o\ chemistry_mod.o io_mod.o string_mod.o const_mod.o - $(F90) $(FAST) -o rpa_test.o -c $(SRC)/tests/rpa/test.f + $(F90) $(FAST) -o rpa_test.o -c $(SRC)/tests/rpa/test.f90 rpa_test: rpa_test.o rpa_mod.o\ chemistry_mod.o io_mod.o string_mod.o const_mod.o @@ -200,11 +200,11 @@ rpa_test: rpa_test.o rpa_mod.o\ # ======================================================== # Code to convert 2D groups to Fortran -new_2dgroups: $(SRC)/tests/group/2dgroups/new_2dgroups.f\ +new_2dgroups: $(SRC)/tests/group/2dgroups/new_2dgroups.f90\ const_mod.o io_mod.o version_mod.o string_mod.o\ group_mod.o unit_cell_mod.o $(F90) $(LINK) -o $(SRC)/tests/group/2dgroups/new_2dgroups\ - $(SRC)/tests/group/2dgroups/new_2dgroups.f\ + $(SRC)/tests/group/2dgroups/new_2dgroups.f90\ const_mod.o io_mod.o string_mod.o version_mod.o\ group_mod.o unit_cell_mod.o diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 646c1a6..0c8655e 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -1,10 +1,10 @@ # TODO: move these options to the top file if (USE_FFT3) - set (FFT_FILE fft3_mod.f) + set (FFT_FILE fft3_mod.f90) find_package(FFTW) else (USE_FFT3) - set (FFT_FILE fft2_mod.f) + set (FFT_FILE fft2_mod.f90) find_package(FFTW) endif (USE_FFT3) @@ -21,10 +21,10 @@ set(FORPEDO ${CMAKE_SOURCE_DIR}/tools/python/preprocess-0.6.1/preprocess.py) find_package(LAPACK) -# Create a library called "common", which includes the source file "const_mod.f". +# Create a library called "common", which includes the source file "const_mod.f90". # The extension is already found. Any number of sources could be listed here. add_library(common - const_mod.f + const_mod.f90 ) # Ensure that anything that depends on "common" will be able to find any headers # or fortram *.mod module files for linking @@ -45,14 +45,14 @@ add_subdirectory(response) ### PREPROCESS THE MAIN FILE ### add_custom_command( - OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/pscf.f - COMMAND ${FORPEDO} ${DEVEL} ${CMAKE_CURRENT_SOURCE_DIR}/pscf.fp.f > ${CMAKE_CURRENT_BINARY_DIR}/pscf.f - DEPENDS pscf.fp.f + OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/pscf.f90 + COMMAND ${FORPEDO} ${DEVEL} ${CMAKE_CURRENT_SOURCE_DIR}/pscf.fp.f90 > ${CMAKE_CURRENT_BINARY_DIR}/pscf.f90 + DEPENDS pscf.fp.f90 ) add_executable(pscf ${BUILD_MACOSX_BUNDLE} WIN32 - ${CMAKE_CURRENT_BINARY_DIR}/pscf.f + ${CMAKE_CURRENT_BINARY_DIR}/pscf.f90 ) set(APPS ${CMAKE_CURRENT_BINARY_DIR}/pscf${MACOSX_BUNDLE_EXT}) diff --git a/src/attic/group/2dgroups/CMakeLists.txt b/src/attic/group/2dgroups/CMakeLists.txt index 7069ee7..ada1a0f 100644 --- a/src/attic/group/2dgroups/CMakeLists.txt +++ b/src/attic/group/2dgroups/CMakeLists.txt @@ -1,6 +1,6 @@ add_executable(new_2dgroups ${BUILD_MACOSX_BUNDLE} WIN32 - new_2dgroups.f + new_2dgroups.f90 ) target_link_libraries(new_2dgroups LINK_PUBLIC common io scf rpa) diff --git a/src/attic/group/2dgroups/new_2dgroups.f b/src/attic/group/2dgroups/new_2dgroups.f90 similarity index 100% rename from src/attic/group/2dgroups/new_2dgroups.f rename to src/attic/group/2dgroups/new_2dgroups.f90 diff --git a/src/attic/group/Makefile b/src/attic/group/Makefile index ee84684..5a434ff 100644 --- a/src/attic/group/Makefile +++ b/src/attic/group/Makefile @@ -13,10 +13,10 @@ NOPT=-Mfree=f90 clean: rm -f *.o *.mod -new_group: new_group.f \ +new_group: new_group.f90 \ ../../unit_cell_mod.o ../../group_mod.o \ ../../io_mod.o ../../const_mod.o - $(F90) $(FAST) -o $(BIN)/new_group new_group.f \ + $(F90) $(FAST) -o $(BIN)/new_group new_group.f90 \ ../../unit_cell_mod.o ../../group_mod.o \ ../../io_mod.o ../../const_mod.o diff --git a/src/attic/group/make_group.f b/src/attic/group/make_group.f90 similarity index 100% rename from src/attic/group/make_group.f rename to src/attic/group/make_group.f90 diff --git a/src/attic/group/new_group.f b/src/attic/group/new_group.f90 similarity index 100% rename from src/attic/group/new_group.f rename to src/attic/group/new_group.f90 diff --git a/src/attic/group/test.f b/src/attic/group/test.f90 similarity index 100% rename from src/attic/group/test.f rename to src/attic/group/test.f90 diff --git a/src/attic/rpa/test.f b/src/attic/rpa/test.f90 similarity index 100% rename from src/attic/rpa/test.f rename to src/attic/rpa/test.f90 diff --git a/src/attic/utility/CMakeLists.txt b/src/attic/utility/CMakeLists.txt index efcd12a..67979be 100644 --- a/src/attic/utility/CMakeLists.txt +++ b/src/attic/utility/CMakeLists.txt @@ -2,19 +2,19 @@ add_executable(nto2 - nto2.f + nto2.f90 ) target_link_libraries(nto2 LINK_PUBLIC common ) add_executable(nto3 - nto3.f + nto3.f90 ) target_link_libraries(nto3 LINK_PUBLIC common ) add_executable(switch - switch.f + switch.f90 ) target_link_libraries(switch LINK_PUBLIC common ) diff --git a/src/attic/utility/Makefile b/src/attic/utility/Makefile index 7ba52a5..679c126 100644 --- a/src/attic/utility/Makefile +++ b/src/attic/utility/Makefile @@ -12,18 +12,18 @@ NOPT=-Mfree=f90 clean: rm -f *.o *.mod -switch: switch.f \ +switch: switch.f90 \ ../build/const_mod.o - $(F90) $(FAST) -o $(BIN)/switch switch.f \ + $(F90) $(FAST) -o $(BIN)/switch switch.f90 \ ../build/const_mod.o -nto2: nto2.f \ +nto2: nto2.f90 \ ../build/const_mod.o - $(F90) $(FAST) -o $(BIN)/nto2 nto2.f \ + $(F90) $(FAST) -o $(BIN)/nto2 nto2.f90 \ ../build/const_mod.o -nto3: nto3.f \ +nto3: nto3.f90 \ ../build/const_mod.o - $(F90) $(FAST) -o $(BIN)/nto3 nto3.f \ + $(F90) $(FAST) -o $(BIN)/nto3 nto3.f90 \ ../build/const_mod.o diff --git a/src/attic/utility/nto2.f b/src/attic/utility/nto2.f90 similarity index 100% rename from src/attic/utility/nto2.f rename to src/attic/utility/nto2.f90 diff --git a/src/attic/utility/nto3.f b/src/attic/utility/nto3.f90 similarity index 100% rename from src/attic/utility/nto3.f rename to src/attic/utility/nto3.f90 diff --git a/src/attic/utility/switch.f b/src/attic/utility/switch.f90 similarity index 100% rename from src/attic/utility/switch.f rename to src/attic/utility/switch.f90 diff --git a/src/const_mod.f b/src/const_mod.f90 similarity index 100% rename from src/const_mod.f rename to src/const_mod.f90 diff --git a/src/crystal/CMakeLists.txt b/src/crystal/CMakeLists.txt index fb4b9ca..04ca42e 100644 --- a/src/crystal/CMakeLists.txt +++ b/src/crystal/CMakeLists.txt @@ -3,9 +3,9 @@ add_library(crystal # NOTE: deform_mod is never actually linked in the original Makefile; perhaps # it was never meant to be seen as completed - # deform_mod.f - basis_mod.f - grid_basis_mod.f + # deform_mod.f90 + basis_mod.f90 + grid_basis_mod.f90 ) target_include_directories (crystal PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) @@ -14,9 +14,9 @@ target_include_directories (crystal PUBLIC ${CMAKE_CURRENT_BINARY_DIR}) target_link_libraries(crystal LINK_PUBLIC common io grid) add_library(crystal_aux - group_mod.f - unit_cell_mod.f - space_groups_mod.f + group_mod.f90 + unit_cell_mod.f90 + space_groups_mod.f90 ) target_include_directories (crystal_aux PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) diff --git a/src/crystal/basis_mod.f b/src/crystal/basis_mod.f90 similarity index 100% rename from src/crystal/basis_mod.f rename to src/crystal/basis_mod.f90 diff --git a/src/crystal/deform_mod.f b/src/crystal/deform_mod.f90 similarity index 100% rename from src/crystal/deform_mod.f rename to src/crystal/deform_mod.f90 diff --git a/src/crystal/grid_basis_mod.f b/src/crystal/grid_basis_mod.f90 similarity index 100% rename from src/crystal/grid_basis_mod.f rename to src/crystal/grid_basis_mod.f90 diff --git a/src/crystal/group_mod.f b/src/crystal/group_mod.f90 similarity index 100% rename from src/crystal/group_mod.f rename to src/crystal/group_mod.f90 diff --git a/src/crystal/space_groups_mod.f b/src/crystal/space_groups_mod.f90 similarity index 100% rename from src/crystal/space_groups_mod.f rename to src/crystal/space_groups_mod.f90 diff --git a/src/crystal/unit_cell_mod.f b/src/crystal/unit_cell_mod.f90 similarity index 100% rename from src/crystal/unit_cell_mod.f rename to src/crystal/unit_cell_mod.f90 diff --git a/src/grid/CMakeLists.txt b/src/grid/CMakeLists.txt index 7649ea2..ecc5a4b 100644 --- a/src/grid/CMakeLists.txt +++ b/src/grid/CMakeLists.txt @@ -1,6 +1,6 @@ add_library(grid ${FFT_FILE} - grid_mod.f + grid_mod.f90 ) target_include_directories (grid PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) diff --git a/src/grid/fft2_mod.f b/src/grid/fft2_mod.f90 similarity index 100% rename from src/grid/fft2_mod.f rename to src/grid/fft2_mod.f90 diff --git a/src/grid/fft3_mod.f b/src/grid/fft3_mod.f90 similarity index 100% rename from src/grid/fft3_mod.f rename to src/grid/fft3_mod.f90 diff --git a/src/grid/grid_mod.f b/src/grid/grid_mod.f90 similarity index 100% rename from src/grid/grid_mod.f rename to src/grid/grid_mod.f90 diff --git a/src/io/CMakeLists.txt b/src/io/CMakeLists.txt index 45e4e16..a8acb4b 100644 --- a/src/io/CMakeLists.txt +++ b/src/io/CMakeLists.txt @@ -1,8 +1,8 @@ # We make two libraries because of some convoluted dependency graphs add_library(io - io_mod.f - string_mod.f - version_mod.f + io_mod.f90 + string_mod.f90 + version_mod.f90 ) target_include_directories (io PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) @@ -11,7 +11,7 @@ target_include_directories (io PUBLIC ${CMAKE_CURRENT_BINARY_DIR}) target_link_libraries(io LINK_PUBLIC common) add_library(io_field - field_io_mod.f + field_io_mod.f90 ) target_include_directories (io_field PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) diff --git a/src/io/field_io_mod.f b/src/io/field_io_mod.f90 similarity index 100% rename from src/io/field_io_mod.f rename to src/io/field_io_mod.f90 diff --git a/src/io/io_mod.f b/src/io/io_mod.f90 similarity index 100% rename from src/io/io_mod.f rename to src/io/io_mod.f90 diff --git a/src/io/string_mod.f b/src/io/string_mod.f90 similarity index 100% rename from src/io/string_mod.f rename to src/io/string_mod.f90 diff --git a/src/io/version_mod.f b/src/io/version_mod.f90 similarity index 100% rename from src/io/version_mod.f rename to src/io/version_mod.f90 diff --git a/src/iterate/CMakeLists.txt b/src/iterate/CMakeLists.txt index e436398..0d2989e 100644 --- a/src/iterate/CMakeLists.txt +++ b/src/iterate/CMakeLists.txt @@ -1,13 +1,13 @@ add_custom_command( - OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/iterate_mod.f - COMMAND ${FORPEDO} ${DEVEL} ${CMAKE_CURRENT_SOURCE_DIR}/iterate_mod.fp.f > ${CMAKE_CURRENT_BINARY_DIR}/iterate_mod.f - DEPENDS iterate_mod.fp.f + OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/iterate_mod.f90 + COMMAND ${FORPEDO} ${DEVEL} ${CMAKE_CURRENT_SOURCE_DIR}/iterate_mod.fp.f90 > ${CMAKE_CURRENT_BINARY_DIR}/iterate_mod.f90 + DEPENDS iterate_mod.fp.f90 ) add_library(iterate - ${CMAKE_CURRENT_BINARY_DIR}/iterate_mod.f - response_pd_mod.f - sweep_mod.f + ${CMAKE_CURRENT_BINARY_DIR}/iterate_mod.f90 + response_pd_mod.f90 + sweep_mod.f90 ) target_include_directories (iterate PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) target_include_directories (iterate PUBLIC ${CMAKE_CURRENT_BINARY_DIR}) diff --git a/src/iterate/iterate_mod.fp.f b/src/iterate/iterate_mod.fp.f90 similarity index 100% rename from src/iterate/iterate_mod.fp.f rename to src/iterate/iterate_mod.fp.f90 diff --git a/src/iterate/response_pd_mod.f b/src/iterate/response_pd_mod.f90 similarity index 100% rename from src/iterate/response_pd_mod.f rename to src/iterate/response_pd_mod.f90 diff --git a/src/iterate/sweep_mod.f b/src/iterate/sweep_mod.f90 similarity index 100% rename from src/iterate/sweep_mod.f rename to src/iterate/sweep_mod.f90 diff --git a/src/pscf.fp.f b/src/pscf.fp.f90 similarity index 100% rename from src/pscf.fp.f rename to src/pscf.fp.f90 diff --git a/src/response/CMakeLists.txt b/src/response/CMakeLists.txt index e681142..0431daa 100644 --- a/src/response/CMakeLists.txt +++ b/src/response/CMakeLists.txt @@ -1,7 +1,7 @@ add_library(response - extrapolate_mod.f - response_mod.f - response_step_mod.f + extrapolate_mod.f90 + response_mod.f90 + response_step_mod.f90 ) target_include_directories (response PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) diff --git a/src/response/extrapolate_mod.f b/src/response/extrapolate_mod.f90 similarity index 100% rename from src/response/extrapolate_mod.f rename to src/response/extrapolate_mod.f90 diff --git a/src/response/response_mod.f b/src/response/response_mod.f90 similarity index 100% rename from src/response/response_mod.f rename to src/response/response_mod.f90 diff --git a/src/response/response_step_mod.f b/src/response/response_step_mod.f90 similarity index 100% rename from src/response/response_step_mod.f rename to src/response/response_step_mod.f90 diff --git a/src/rpa/CMakeLists.txt b/src/rpa/CMakeLists.txt index dad8d30..19473cc 100644 --- a/src/rpa/CMakeLists.txt +++ b/src/rpa/CMakeLists.txt @@ -1,6 +1,6 @@ add_library(rpa - rpa_mod.f - spinodal_mod.f + rpa_mod.f90 + spinodal_mod.f90 ) target_include_directories (rpa PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) diff --git a/src/rpa/rpa_mod.f b/src/rpa/rpa_mod.f90 similarity index 100% rename from src/rpa/rpa_mod.f rename to src/rpa/rpa_mod.f90 diff --git a/src/rpa/spinodal_mod.f b/src/rpa/spinodal_mod.f90 similarity index 100% rename from src/rpa/spinodal_mod.f rename to src/rpa/spinodal_mod.f90 diff --git a/src/scf/CMakeLists.txt b/src/scf/CMakeLists.txt index 5142ec9..a622fd0 100644 --- a/src/scf/CMakeLists.txt +++ b/src/scf/CMakeLists.txt @@ -1,22 +1,22 @@ # TODO: Cleanup libraries (can these be combined in any way? Can I rename them to clarify what is going on?) add_custom_command( - OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/scf_mod.f - COMMAND ${FORPEDO} ${DEVEL} ${CMAKE_CURRENT_SOURCE_DIR}/scf_mod.fp.f > ${CMAKE_CURRENT_BINARY_DIR}/scf_mod.f - DEPENDS scf_mod.fp.f + OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/scf_mod.f90 + COMMAND ${FORPEDO} ${DEVEL} ${CMAKE_CURRENT_SOURCE_DIR}/scf_mod.fp.f90 > ${CMAKE_CURRENT_BINARY_DIR}/scf_mod.f90 + DEPENDS scf_mod.fp.f90 ) add_library(scf - chain_mod.f - chemistry_mod.f - step_mod.f + chain_mod.f90 + chemistry_mod.f90 + step_mod.f90 ) target_include_directories (scf PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) target_include_directories (scf PUBLIC ${CMAKE_CURRENT_BINARY_DIR}) target_link_libraries(scf LINK_PUBLIC common io grid) add_library(scf_aux - ${CMAKE_CURRENT_BINARY_DIR}/scf_mod.f + ${CMAKE_CURRENT_BINARY_DIR}/scf_mod.f90 ) target_include_directories (scf_aux PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}) target_include_directories (scf_aux PUBLIC ${CMAKE_CURRENT_BINARY_DIR}) diff --git a/src/scf/chain_mod.f b/src/scf/chain_mod.f90 similarity index 100% rename from src/scf/chain_mod.f rename to src/scf/chain_mod.f90 diff --git a/src/scf/chemistry_mod.f b/src/scf/chemistry_mod.f90 similarity index 100% rename from src/scf/chemistry_mod.f rename to src/scf/chemistry_mod.f90 diff --git a/src/scf/scf_mod.fp.f b/src/scf/scf_mod.fp.f90 similarity index 100% rename from src/scf/scf_mod.fp.f rename to src/scf/scf_mod.fp.f90 diff --git a/src/scf/step_mod.f b/src/scf/step_mod.f90 similarity index 100% rename from src/scf/step_mod.f rename to src/scf/step_mod.f90 diff --git a/tools/python/preprocess-0.6.1/preprocess.py b/tools/python/preprocess-0.6.1/preprocess.py index 2e0be75..f92b43c 100755 --- a/tools/python/preprocess-0.6.1/preprocess.py +++ b/tools/python/preprocess-0.6.1/preprocess.py @@ -133,7 +133,7 @@ def __init__(self, name, level=None, streamOrFileName=sys.stderr): self._level = self.WARN else: self._level = level - if type(streamOrFileName) == types.StringType: + if isinstance(streamOrFileName, str): self.stream = open(streamOrFileName, 'w') self._opennedStream = 1 else: @@ -190,7 +190,7 @@ def _evaluate(expr, defines): #interpolated = _interpolate(s, defines) try: rv = eval(expr, {'defined':lambda v: v in defines}, defines) - except Exception, ex: + except Exception as ex: msg = str(ex) if msg.startswith("name '") and msg.endswith("' is not defined"): # A common error (at least this is presumed:) is to have @@ -276,7 +276,7 @@ def getContentType(filename): basename = os.path.basename(filename) contentType = None # Try to determine from the filename. - if not contentType and filenameMap.has_key(basename): + if not contentType and basename in filenameMap: contentType = filenameMap[basename] log.debug("Content type of '%s' is '%s' (determined from full "\ "filename).", filename, contentType) @@ -286,7 +286,7 @@ def getContentType(filename): if sys.platform.startswith("win"): # Suffix patterns are case-insensitive on Windows. suffix = suffix.lower() - if suffixMap.has_key(suffix): + if suffix in suffixMap: contentType = suffixMap[suffix] log.debug("Content type of '%s' is '%s' (determined from "\ "suffix '%s').", filename, contentType, suffix) @@ -378,9 +378,9 @@ def preprocess(infile, outfile=sys.stdout, defines={}, force=0, keepLines=0, # (Would be helpful if I knew anything about lexing and parsing # simple grammars.) fin = open(infile, 'r') - if type(outfile) in types.StringTypes: + if isinstance(outfile, str): if force and os.path.exists(outfile): - os.chmod(outfile, 0777) + os.chmod(outfile, 0o777) os.remove(outfile) fout = open(outfile, 'w') else: @@ -541,7 +541,7 @@ def main(argv): optlist, args = getopt.getopt(argv[1:], 'hVvo:D:fkI:s', ['help', 'version', 'verbose', 'force', 'keep-lines', 'substitute']) - except getopt.GetoptError, msg: + except getopt.GetoptError as msg: sys.stderr.write("preprocess: error: %s. Your invocation was: %s\n"\ % (msg, argv)) sys.stderr.write("See 'preprocess --help'.\n") @@ -594,7 +594,7 @@ def main(argv): try: preprocess(infile, outfile, defines, force, keepLines, includePath, substitute) - except PreprocessError, ex: + except PreprocessError as ex: if verbose: import traceback traceback.print_exc(file=sys.stderr)