Testing Module and Phase Transitions

.gitignore

@@ -2,11 +2,13 @@
 bin/
 obj/
 lib/
+
 # ignore doc subdirectories
 doc/html/
 doc/latex/
 doc/test/
 test/doc/
+
 # ignore outputs
 *.out
 *.txt
@@ -30,13 +32,16 @@ test/doc/
 *.lai
 *.csv
 *.pkl
+Thermo-debugging.F90
+
 # ignore vscode cache
 .vscode/
+
 # some of these will occasionally require manual override
 data/
-test/
 python/
 private_tests
+
 # Ignore dynamic libraries
 *.dylib
 .libs

Makefile

@@ -24,7 +24,10 @@ AR          = ar
 FC          = gfortran
 CC          = g++
 FFPE_TRAPS  ?= zero
-FCFLAGS     = -Wall -O2 -ffree-line-length-none -fno-automatic -fbounds-check -ffpe-trap=$(FFPE_TRAPS) -cpp -D"DATA_DIRECTORY='$(DATA_DIR)'"
+FCFLAGS = -Wall -O2 -ffree-line-length-none -fno-automatic -fbounds-check \
+          -ffpe-trap=$(FFPE_TRAPS) -cpp \
+          -D"DATA_DIRECTORY='$(DATA_DIR)'" \
+          -D"CSV_DIRECTORY='$(CSVT_DIR)'"
 CCFLAGS     = -std=gnu++17
 
 UNAME_S := $(shell uname -s)
@@ -58,24 +61,24 @@ EXE_DIR     = $(SRC_DIR)/exec
 TST_DIR     = test
 LIB_DIR     = lib
 DTST_DIR    = $(TST_DIR)/daily
+DTSTT_DIR	= $(TST_DIR)/regression
+DTSVAL_DIR	= $(TST_DIR)/validation
 SHARED_DIR  = $(SRC_DIR)
 SHARED_DIR += $(addprefix $(SRC_DIR)/,$(SRC_SDR))
 CURR_DIR    = $(shell pwd)
 DATA_DIR    = $(CURR_DIR)/data/
+CSVT_DIR 	= $(CURR_DIR)/$(TST_DIR)/csv/
 VPATH		= $(SHARED_DIR)
 
 # Separate modules and non-modules
 modfiles := $(shell find src -name "Module*.f90")
-srcfiles := $(shell find src -iname "*.f90" -and -not -name "Module*")
-
-##
-OBJ_FILES			=  $(addprefix $(OBJ_DIR)/,$(patsubst %.f90, %.o, $(patsubst %.F90, %.o, $(notdir $(srcfiles)))))
+srcfiles := $(shell find src -name "[^(Module)]*.f90")
 
 ## ========
 ## MODULES:
 ## ========
-MODS_OBJ    = $(patsubst %.f90, %.o, $(notdir $(modfiles)))
-MODS_LNK    = $(addprefix $(OBJ_DIR)/,$(MODS_OBJ))
+MODS_SRC    = $(patsubst %.f90, %.o, $(notdir $(modfiles)))
+MODS_LNK    = $(addprefix $(OBJ_DIR)/,$(MODS_SRC))
 
 ## =================
 ## LIBRARIES:
@@ -95,7 +98,7 @@ C_SRC       = Thermochimica-c.C Thermochimica-cxx.C
 C_OBJ       = $(C_SRC:.C=.o)
 C_LNK       = $(addprefix $(OBJ_DIR)/,$(C_OBJ))
 TC-C_LIB    = libthermoc.a
-C_LIB  			= $(OBJ_DIR)/$(TC-C_LIB)
+C_LIB  		= $(OBJ_DIR)/$(TC-C_LIB)
 
 ## ============
 ## OLD EXECUTABLES:
@@ -116,6 +119,22 @@ DTEST_LNK   = $(addprefix $(OBJ_DIR)/,$(DTEST_OBJ))
 DTST_OBJ    = $(basename $(DTEST_SRC))
 DTST_BIN    = $(addprefix $(BIN_DIR)/,$(DTST_OBJ))
 
+## ===============
+## REGRESSION TESTS
+## ===============
+RTST_SRC   = $(notdir $(wildcard $(DTSTT_DIR)/*.F90))
+RTST_OBJ   = $(RTST_SRC:.F90=.o)
+RTST_LNK   = $(addprefix $(OBJ_DIR)/,$(RTST_OBJ))
+RTST_BIN   = $(addprefix $(BIN_DIR)/,$(basename $(RTST_SRC)))
+
+## ===============
+## VALIDATION TESTS
+## ===============
+VTST_SRC   = $(notdir $(wildcard $(DTSVAL_DIR)/*.F90))
+VTST_OBJ   = $(VTST_SRC:.F90=.o)
+VTST_LNK   = $(addprefix $(OBJ_DIR)/,$(VTST_OBJ))
+VTST_BIN   = $(addprefix $(BIN_DIR)/,$(basename $(VTST_SRC)))
+
 ## =======
 ## COMPILE
 ## =======
@@ -130,19 +149,25 @@ ${BIN_DIR}:
 	${MKDIR_P} ${BIN_DIR}
 
 # Enforce module dependency rules
-$(OBJ_FILES): $(srcfiles) $(MODS_LNK)
-$(EXEC_LNK) $(DTST_LNK): $(MODS_LNK)
 
-$(OBJ_DIR)/%.o: %.f90 $(OBJ_DIR)
+$(srcfiles): $(MODS_LNK)
+
+$(OBJ_DIR)/ModuleTesting.o: $(OBJ_DIR)/ModuleThermo.o
+$(OBJ_DIR)/ModuleTesting.o: $(OBJ_DIR)/ModuleThermoIO.o
+
+%.o: %.f90
+	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
+
+$(OBJ_DIR)/%.o: %.f90
 	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
 
-$(OBJ_DIR)/%.o: %.F90 $(OBJ_DIR)
+$(OBJ_DIR)/%.o: %.F90
 	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
 
-$(OBJ_DIR)/%.o: $(TST_DIR)/%.F90 $(OBJ_DIR)
+$(OBJ_DIR)/%.o: $(TST_DIR)/%.F90
 	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
 
-$(OBJ_DIR)/%.o: $(EXE_DIR)/%.F90 $(OBJ_DIR)
+$(OBJ_DIR)/%.o: $(EXE_DIR)/%.F90
 	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
 
 $(SHARED_LIB): $(SHARED_LNK)
@@ -219,6 +244,7 @@ doctest:
 cleandoc:
 	rm -r -f $(DOC_DIR)/html; rm -r -f $(TEX_DIR); rm -r -f $(TST_DIR)/$(DOC_DIR)/html; rm -r -f $(TST_DIR)/$(TEX_DIR); rm -r -f $(DOC_DIR)/$(TST_DIR)
 
+
 ## ===========
 ## DAILY TESTS
 ## ===========
@@ -227,10 +253,32 @@ dailytest: $(DTEST_LNK) $(SHARED_LNK) $(MODS_LNK) $(DTST_BIN)
 $(OBJ_DIR)/%.o: $(DTST_DIR)/%.F90
 	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
 
+## ===========
+## REGRESSION
+## ===========
+regressiontest: $(RTST_LNK) $(SHARED_LNK) $(MODS_LNK) $(RTST_BIN)
+
+$(RTST_LNK): $(OBJ_DIR)/%.o: $(DTSTT_DIR)/%.F90
+	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
+
+$(RTST_BIN): $(BIN_DIR)/%: $(OBJ_DIR)/%.o $(SHARED_LNK)
+	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) $(LDFLAGS) -o $@ $< $(SHARED_LNK) $(LDLOC)
+
+## ===========
+## VALIDATION
+## ===========
+validationtest: $(VTST_LNK) $(SHARED_LNK) $(MODS_LNK) $(VTST_BIN)
+
+$(VTST_LNK): $(OBJ_DIR)/%.o: $(DTSVAL_DIR)/%.F90
+	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) -c $< -o $@
+
+$(VTST_BIN): $(BIN_DIR)/%: $(OBJ_DIR)/%.o $(SHARED_LNK)
+	$(FC) -I$(OBJ_DIR) -J$(OBJ_DIR) $(FCFLAGS) $(LDFLAGS) -o $@ $< $(SHARED_LNK) $(LDLOC)
+
 ## ===========
 ## ALL TESTS:
 ## ===========
-test: all dailytest
+test: all dailytest regressiontest validationtest
 
 ## ===========
 ## DEBUG:

data/CaMnS.dat

@@ -444,4 +444,4 @@ Va:S
  1 0.00000000       0.00
    2000.0000  -265760.95       497.94364      -83.883678     -0.21790250E-01  0.28051160E-05   79820.000    
   1  0.16568470E+31  -9.00
-###################################################
+###################################################