rename all files to f90; modify preprocess so that it will also work …

…with python3

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
 

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
 

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})

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)
 

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
 

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 )
 

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
 

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})

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})