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Copy pathLinux-x86-64-gfortran-regtest.pdbg
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Linux-x86-64-gfortran-regtest.pdbg
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# Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3,
# Libint 2.6.0, Libxc 4.3.4, ELPA 2019.05.001, PLUMED 2.5.2, SPGLIB 1.12.2
# Author: Matthias Krack ([email protected], PSI, May 2020)
CC = mpicc
FC = mpif90
LD = mpif90
AR = ar -r
include $(MPI_PATH)/plumed/2.5.2/lib/plumed/src/lib/Plumed.inc.static
ELPA_VER = 2019.05.001
ELPA_INC = $(MPI_PATH)/elpa/$(ELPA_VER)/include/elpa-$(ELPA_VER)
ELPA_LIB = $(MPI_PATH)/elpa/$(ELPA_VER)/lib
FFTW_INC = $(GNU_PATH)/fftw/3.3-regtest/include
FFTW_LIB = $(GNU_PATH)/fftw/3.3-regtest/lib
LIBINT_INC = $(GNU_PATH)/libint/2.6.0-lmax-4-regtest/include
LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-4-regtest/lib
LIBXC_INC = $(GNU_PATH)/libxc/4.3.4-regtest/include
LIBXC_LIB = $(GNU_PATH)/libxc/4.3.4-regtest/lib
SPGLIB_INC = $(GNU_PATH)/spglib/1.12.2/include
SPGLIB_LIB = $(GNU_PATH)/spglib/1.12.2/lib
CFLAGS = -O1 -g -mtune=generic
DFLAGS = -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC
DFLAGS += -D__MPI_VERSION=3 -D__PLUMED2 -D__SPGLIB
DFLAGS += -D__parallel -D__SCALAPACK
DFLAGS += -D__CHECK_DIAG
WFLAGS = -Werror=aliasing -Werror=ampersand -Werror=c-binding-type
WFLAGS += -Werror=conversion -Werror=intrinsic-shadow -Werror=intrinsics-std
WFLAGS += -Werror=line-truncation -Wrealloc-lhs -Werror=tabs
WFLAGS += -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable
WFLAGS += -Werror=unused-dummy-argument -Werror=unused-variable
FCFLAGS = $(CFLAGS) $(DFLAGS) $(WFLAGS)
FCFLAGS += -fcheck=bounds,do,recursion,pointer -ffree-form
FCFLAGS += -ffree-line-length-none -fimplicit-none -fno-omit-frame-pointer
FCFLAGS += -std=f2008
FCFLAGS += -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules
FCFLAGS += -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC)
LDFLAGS = $(FCFLAGS) -fsanitize=leak
LIBS = $(PLUMED_DEPENDENCIES) -lgsl -lgslcblas -lz
LIBS += $(ELPA_LIB)/libelpa.a
LIBS += $(LIBXC_LIB)/libxcf03.a
LIBS += $(LIBXC_LIB)/libxc.a
LIBS += $(LIBINT_LIB)/libint2.a
LIBS += $(SPGLIB_LIB)/libsymspg.a
LIBS += $(FFTW_LIB)/libfftw3.a
LIBS += $(MPI_LIBRARY_PATH)/libscalapack-regtest.a
LIBS += $(LIBPATH)/liblapack-regtest.a
LIBS += $(LIBPATH)/libblas-regtest.a
LIBS += -ldl -lstdc++