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Move to libint 2.5.0

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mkrack committed Aug 6, 2019
1 parent dbc49d1 commit 4d81104757256d24f5a6ca73b3bb114b192b33b7
Showing with 33 additions and 32 deletions.
  1. +33 −32 arch/Linux-x86-64-gfortran-regtest.sdbg
@@ -1,32 +1,33 @@
# Tested with: GFortran 7.4.0, FFTW 3.3, LAPACK 3.8.0, Libint 1.1.6, Libxc 4.3.4
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019)
CC = gcc
CPP =
FC = gfortran
LD = gfortran
AR = ar -r
FFTW_INC = $(GCC_DIR)/fftw/3.3-regtest/include
FFTW_LIB = $(GCC_DIR)/fftw/3.3-regtest/lib
LIBINT_INC = $(GCC_DIR)/libint/1.1.6-default-regtest/include
LIBINT_LIB = $(GCC_DIR)/libint/1.1.6-default-regtest/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.3.4-regtest/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.3.4-regtest/lib
DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__CHECK_DIAG
CPPFLAGS =
WFLAGS = -Waliasing -Wampersand -Wc-binding-type -Wconversion \
-Wintrinsic-shadow -Wintrinsics-std -Wline-truncation \
-Wno-tabs -Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow \
-Wunused-but-set-variable -Wunused-dummy-argument -Wunused-variable \
-Werror
FCFLAGS = $(DFLAGS) -O1 -fcheck=bounds,do,recursion,pointer -ffree-form \
-ffree-line-length-none -fimplicit-none -fno-omit-frame-pointer \
-g -mtune=generic -std=f2008 \
-I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) $(WFLAGS)
LDFLAGS = $(FCFLAGS) -fsanitize=leak
LIBS = $(LIBPATH)/liblapack-regtest.a \
$(LIBPATH)/libblas-regtest.a \
$(FFTW_LIB)/libfftw3.a \
$(LIBXC_LIB)/libxcf03.a \
$(LIBXC_LIB)/libxc.a \
$(LIBINT_LIB)/libderiv.a \
$(LIBINT_LIB)/libint.a
# Tested with: GFortran 7.4.0, FFTW 3.3, LAPACK 3.8.0, Libint 2.5.0, Libxc 4.3.4
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, August 2019)
CC = gcc
CPP =
FC = gfortran
LD = gfortran
AR = ar -r
FFTW_INC = $(GNU_PATH)/fftw/3.3-regtest/include
FFTW_LIB = $(GNU_PATH)/fftw/3.3-regtest/lib
LIBINT_INC = $(GNU_PATH)/libint/2.5.0-lmax-4-regtest/include
LIBINT_LIB = $(GNU_PATH)/libint/2.5.0-lmax-4-regtest/lib
LIBXC_INC = $(GNU_PATH)/libxc/4.3.4-regtest/include
LIBXC_LIB = $(GNU_PATH)/libxc/4.3.4-regtest/lib
DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__CHECK_DIAG
CFLAGS = -g -march=native
CPPFLAGS =
WFLAGS = -Waliasing -Wampersand -Wc-binding-type -Wconversion \
-Wintrinsic-shadow -Wintrinsics-std -Wline-truncation \
-Wno-tabs -Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow \
-Wunused-but-set-variable -Wunused-dummy-argument -Wunused-variable \
-Werror
FCFLAGS = $(CFLAGS) -std=f2008 \
$(DFLAGS) -O1 -fcheck=bounds,do,recursion,pointer -ffree-form \
-ffree-line-length-none -fimplicit-none -fno-omit-frame-pointer \
-I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) $(WFLAGS)
LDFLAGS = $(FCFLAGS) -fsanitize=leak
LIBS = $(LIBXC_LIB)/libxcf03.a \
$(LIBXC_LIB)/libxc.a \
$(LIBINT_LIB)/libint2.a \
$(FFTW_LIB)/libfftw3.a \
$(LIBPATH)/liblapack-regtest.a \
$(LIBPATH)/libblas-regtest.a \
-lstdc++

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