diff --git a/.gitignore b/.gitignore index a295ba0..88d4332 100644 --- a/.gitignore +++ b/.gitignore @@ -12,3 +12,5 @@ datasets/dataset.* bin/ *.vfcrun.hd5 *.vfcraw.hd5 +__pycache__ +ci/__pycache__ diff --git a/Makefile.verificarlo b/Makefile.verificarlo index 167b4b2..bd10702 100644 --- a/Makefile.verificarlo +++ b/Makefile.verificarlo @@ -33,6 +33,7 @@ BIN_DIR := bin EXEC := $(BIN_DIR)/cMaponiA3_test_3x3_3 \ $(BIN_DIR)/test_h5 \ + $(BIN_DIR)/vfc_test_h5 \ $(BIN_DIR)/fMaponiA3_test_3x3_3 \ $(BIN_DIR)/fMaponiA3_test_4x4_2 \ $(BIN_DIR)/QMCChem_dataset_test @@ -84,6 +85,9 @@ $(BIN_DIR)/cMaponiA3_test_3x3_3: $(OBJ_DIR)/cMaponiA3_test_3x3_3.o $(DEPS_CXX) | $(BIN_DIR)/test_h5: $(OBJ_DIR)/test_h5.o $(DEPS_CXX) | $(BIN_DIR) $(CXX) -o $@ $^ $(H5FLAGS) +$(BIN_DIR)/vfc_test_h5: $(OBJ_DIR)/vfc_test_h5.o $(DEPS_CXX) | $(BIN_DIR) + $(CXX) -o $@ $^ $(H5FLAGS) + $(BIN_DIR)/fMaponiA3_test_3x3_3: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_3x3_3.o | $(BIN_DIR) $(FC) $(FLIBS) -o $@ $^ @@ -92,5 +96,3 @@ $(BIN_DIR)/fMaponiA3_test_4x4_2: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_4x4_2.o | $(BIN_DIR)/QMCChem_dataset_test: $(DEPS_F) $(OBJ_DIR)/QMCChem_dataset_test.o | $(BIN_DIR) $(FC) $(FLIBS) -o $@ $^ - - diff --git a/Makefile.vfc_ci b/Makefile.vfc_ci deleted file mode 100644 index 8064b40..0000000 --- a/Makefile.vfc_ci +++ /dev/null @@ -1,64 +0,0 @@ -## Compiler -CXX = verificarlo-c++ - -## Compiler flags -H5FLAGS = -I/usr/include/hdf5/serial -lhdf5_serial -lhdf5_cpp -# H5FLAGS = -lhdf5 -lhdf5_cpp -CXXFLAGS = -O0 -g $(H5FLAGS) - -INCLUDE = -I $(INC_DIR)/ -I="/usr/include" -DEPS_CXX = $(OBJ_DIR)/SM_MaponiA3.o $(OBJ_DIR)/SM_MaponiA3S.o $(OBJ_DIR)/SM_Standard.o $(OBJ_DIR)/SM_Helpers.o - -SRC_DIR := src -TST_DIR := tests -INC_DIR := include -OBJ_DIR := build -BIN_DIR := bin - -EXEC := $(BIN_DIR)/vfc_test_h5 - -## Build tagets -.PHONY: all clean distclean - -all: $(EXEC) - -clean: - @rm -vrf $(OBJ_DIR) - @rm -vrf $(BIN_DIR) - -distclean: clean - @rm -vrf $(BIN_DIR) \ - Slater* Updates.dat - - -#### COMPILING -$(BIN_DIR) $(OBJ_DIR): - mkdir -p $@ - -### IMPLICIT BUILD RULES -## C++ objects -$(OBJ_DIR)/%.o: $(TST_DIR)/%.cpp $(INC_DIR)/* | $(OBJ_DIR) - $(CXX) $(CXXFLAGS) $(INCLUDE) -c -o $@ $< - -$(OBJ_DIR)/%.o: $(SRC_DIR)/%.cpp $(INC_DIR)/* | $(OBJ_DIR) - $(CXX) $(CXXFLAGS) -fPIE $(INCLUDE) -c -o $@ $< - -## HDF5/C++ objects -$(OBJ_DIR)/%_h5.o: $(TST_DIR)/%_h5.cpp $(INC_DIR)/* | $(OBJ_DIR) - $(CXX) $(H5CXXFLAGS) $(INCLUDE) -c -o $@ $< - -### EXPLICIT BUILD RULES -## special compiler flag -fPIC otherwise h5c++ builds fail -$(OBJ_DIR)/SM_MaponiA3.o: $(SRC_DIR)/SM_MaponiA3.cpp $(INC_DIR)/* | $(OBJ_DIR) - $(CXX) $(CXXFLAGS) -fPIC $(INCLUDE) -c -o $@ $< - -$(OBJ_DIR)/SM_MaponiA3S.o: $(SRC_DIR)/SM_MaponiA3S.cpp $(INC_DIR)/* | $(OBJ_DIR) - $(CXX) $(CXXFLAGS) -fPIC $(INCLUDE) -c -o $@ $< - -$(OBJ_DIR)/SM_Standard.o: $(SRC_DIR)/SM_Standard.cpp $(INC_DIR)/* | $(OBJ_DIR) - $(CXX) $(CXXFLAGS) -fPIC $(INCLUDE) -c -o $@ $< - - -#### LINKING -$(BIN_DIR)/vfc_test_h5: $(OBJ_DIR)/vfc_test_h5.o $(DEPS_CXX) | $(BIN_DIR) - $(CXX) $(CXXFLAGS) $(INCLUDE) -o $@ $^ $(H5FLAGS) diff --git a/tests/vfc_test_h5.cpp b/tests/vfc_test_h5.cpp index 18b0435..2273773 100644 --- a/tests/vfc_test_h5.cpp +++ b/tests/vfc_test_h5.cpp @@ -167,7 +167,7 @@ int test_cycle(H5File file, int cycle, std::string version, vfc_probes * probes) int main(int argc, char **argv) { if (argc != 3) { std::cerr << "Execute from within '/'" << std::endl; - std::cerr << "usage: test_h5 " << std::endl; + std::cerr << "usage: test_h5 " << std::endl; return 1; } std::string version(argv[1]);