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--- ./src/Makefile_GNU.orig 2014-10-26 18:34:25.607914786 +0100
+++ ./src/Makefile_GNU 2014-10-26 18:35:20.134921646 +0100
@@ -17,22 +17,22 @@
#// You should have received a copy of the GNU General Public License //
#// along with MolDS. If not, see <http://www.gnu.org/licenses/>. //
#//************************************************************************//
-CC = mpicxx
-CFLAGS = -O2
+CC ?= mpicxx
+CFLAGS ?= -O2
override CFLAGS += -fopenmp
-BOOST_TOP_DIR = /usr/local/boost/
-BOOST_INC_DIR = $(BOOST_TOP_DIR)/include/
-BOOST_LIB_DIR = $(BOOST_TOP_DIR)/lib/
-BOOST_LIBS = -lboost_serialization -lboost_mpi -lboost_thread
-OPENBLAS_TOP_DIR = /usr/local/openblas/
-OPENBLAS_INC_DIR = $(OPENBLAS_TOP_DIR)/include/
-OPENBLAS_LIB_DIR = $(OPENBLAS_TOP_DIR)/lib/
-OPENBLAS_LIBS = -lopenblas
-LIBSBASE = -lpthread -lgomp
-LIBS = $(LIBSBASE) $(BOOST_LIBS) $(OPENBLAS_LIBS)
-EXENAME = molds
-DEPFILE = obj/objfile.dep
-LDFLAGS = -Wl,-rpath=$(BOOST_LIB_DIR) -Wl,-rpath=$(OPENBLAS_LIB_DIR)
+BOOST_TOP_DIR ?= /usr/local/boost/
+BOOST_INC_DIR ?= $(BOOST_TOP_DIR)/include/
+BOOST_LIB_DIR ?= $(BOOST_TOP_DIR)/lib/
+BOOST_LIBS ?= -lboost_serialization -lboost_mpi -lboost_thread
+OPENBLAS_TOP_DIR ?= /usr/local/openblas/
+OPENBLAS_INC_DIR ?= $(OPENBLAS_TOP_DIR)/include/
+OPENBLAS_LIB_DIR ?= $(OPENBLAS_TOP_DIR)/lib/
+OPENBLAS_LIBS ?= -lopenblas
+LIBSBASE ?= -lpthread -lgomp
+LIBS ?= $(LIBSBASE) $(BOOST_LIBS) $(OPENBLAS_LIBS)
+EXENAME ?= molds
+DEPFILE ?= obj/objfile.dep
+LDFLAGS += -Wl,-rpath=$(BOOST_LIB_DIR) -Wl,-rpath=$(OPENBLAS_LIB_DIR)
THIS_MAKEFILE := $(word $(words $(MAKEFILE_LIST)),$(MAKEFILE_LIST))
ALL_CPP_FILES = base/Enums.cpp base/PrintController.cpp base/MolDSException.cpp base/MallocerFreer.cpp mpi/MpiProcess.cpp mpi/AsyncCommunicator.cpp wrappers/Blas.cpp wrappers/Lapack.cpp base/Utilities.cpp base/MathUtilities.cpp base/EularAngle.cpp base/Parameters.cpp base/atoms/Atom.cpp base/atoms/Hatom.cpp base/atoms/Liatom.cpp base/atoms/Catom.cpp base/atoms/Natom.cpp base/atoms/Oatom.cpp base/atoms/Satom.cpp base/atoms/mm/EnvironmentalPointCharge.cpp base/factories/AtomFactory.cpp base/Molecule.cpp base/InputParser.cpp base/GTOExpansionSTO.cpp base/RealSphericalHarmonicsIndex.cpp base/loggers/MOLogger.cpp base/loggers/DensityLogger.cpp base/loggers/HoleDensityLogger.cpp base/loggers/ParticleDensityLogger.cpp cndo/Cndo2.cpp indo/Indo.cpp zindo/ZindoS.cpp mndo/Mndo.cpp am1/Am1.cpp am1/Am1D.cpp pm3/Pm3.cpp pm3/Pm3D.cpp pm3/Pm3Pddg.cpp base/factories/ElectronicStructureFactory.cpp md/MD.cpp mc/MC.cpp rpmd/RPMD.cpp nasco/NASCO.cpp optimization/Optimizer.cpp optimization/ConjugateGradient.cpp optimization/SteepestDescent.cpp optimization/BFGS.cpp optimization/GEDIIS.cpp base/factories/OptimizerFactory.cpp base/MolDS.cpp Main.cpp
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