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

added git-hash print

parent 96a0f0f5
......@@ -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
......
......@@ -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;
......
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