Commit 2bdc6584 authored by Leonardo Solis's avatar Leonardo Solis
Browse files

added git-hash print

parent 96a0f0f5

Makefile

+31 −6
Original line number Diff line number Diff line
@@ -191,12 +191,25 @@ check-env-gpu: 


check-env-all: check-env-dev check-env-cpu check-env-gpu



# ------------------------------------------------------

# Priting out its git version hash



GIT_VERSION := $(shell git describe --abbrev=7 --dirty --always --tags)



CFLAGS+=-DVERSION=\"$(GIT_VERSION)\"



# ------------------------------------------------------



stringify:

	./stringify_ocl_krnls.sh



odock: check-env-all stringify $(SRC)

	g++ $(SRC) $(CFLAGS) -lOpenCL -o$(BIN_DIR)/$(TARGET) $(DEV) $(NWI) $(OPT) $(DD) $(REP) $(KFLAGS)



	g++ \

	$(SRC) \

	$(CFLAGS) \

	-lOpenCL \

	-o$(BIN_DIR)/$(TARGET) \

	$(DEV) $(NWI) $(OPT) $(DD) $(REP) $(KFLAGS)



# Example

# 1ac8: for testing gradients of translation and rotation genes
@@ -209,9 +222,15 @@ POPSIZE := 150 
TESTNAME := test

TESTLS   := sw





test: odock

	$(BIN_DIR)/$(TARGET) -ffile ./input/$(PDB)/derived/$(PDB)_protein.maps.fld -lfile ./input/$(PDB)/derived/$(PDB)_ligand.pdbqt -nrun $(NRUN) -psize $(POPSIZE) -resnam $(TESTNAME) -gfpop 0 -lsmet $(TESTLS)

	$(BIN_DIR)/$(TARGET) \

	-ffile ./input/$(PDB)/derived/$(PDB)_protein.maps.fld \

	-lfile ./input/$(PDB)/derived/$(PDB)_ligand.pdbqt \

	-nrun $(NRUN) \

	-psize $(POPSIZE) \

	-resnam $(TESTNAME) \

	-gfpop 0 \

	-lsmet $(TESTLS)



ASTEX_PDB := 2bsm

ASTEX_NRUN:= 10
@@ -220,8 +239,14 @@ ASTEX_TESTNAME := test_astex 
ASTEX_LS := sw



astex: odock

	$(BIN_DIR)/$(TARGET) -ffile ./input_tsri/search-set-astex/$(ASTEX_PDB)/protein.maps.fld -lfile ./input_tsri/search-set-astex/$(ASTEX_PDB)/flex-xray.pdbqt -nrun $(ASTEX_NRUN) -psize $(ASTEX_POPSIZE) -resnam $(ASTEX_TESTNAME) -gfpop 1 -lsmet $(ASTEX_LS)



	$(BIN_DIR)/$(TARGET) \

	-ffile ./input_tsri/search-set-astex/$(ASTEX_PDB)/protein.maps.fld \

	-lfile ./input_tsri/search-set-astex/$(ASTEX_PDB)/flex-xray.pdbqt \

	-nrun $(ASTEX_NRUN) \

	-psize $(ASTEX_POPSIZE) \

	-resnam $(ASTEX_TESTNAME) \

	-gfpop 1 \

	-lsmet $(ASTEX_LS)



#	$(BIN_DIR)/$(TARGET) -ffile ./input_tsri/search-set-astex/$(ASTEX_PDB)/protein.maps.fld -lfile ./input_tsri/search-set-astex/$(ASTEX_PDB)/flex-xray.pdbqt -nrun $(ASTEX_NRUN) -psize $(ASTEX_POPSIZE) -resnam $(ASTEX_TESTNAME) -gfpop 1 | tee ./input_tsri/search-set-astex/intrapairs/$(ASTEX_PDB)_intrapair.txt

host/src/main.cpp

+3 −0
Original line number Diff line number Diff line
@@ -111,6 +111,9 @@ int main(int argc, char* argv[]) 
	//------------------------------------------------------------

	// Starting Docking

	//------------------------------------------------------------



	printf("\nOCLADock version: %s\n", VERSION);



	if (docking_with_gpu(&mygrid, floatgrids, &mypars, &myligand_init, &argc, argv, clock_start_program) != 0)

		return 1;