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Use libxc 4.3.4

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mkrack committed Mar 14, 2019
1 parent a76625f commit 93a1695a81c152e11bbd0f970f717dcd7ce46771
@@ -1,5 +1,5 @@
# Tested with: GFortran 6.4.0, MPICH 3.2.1, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 1.1.6, Libxc 4.2.3, libxsmm 1.9, ELPA 2017.05.003, PLUMED 2.4.1
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, February 2019)
# Tested with: GFortran 6.4.0, MPICH 3.2.1, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.9, ELPA 2017.05.003, PLUMED 2.4.1
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2019)
CC = gcc
CPP =
FC = mpif90
@@ -13,8 +13,8 @@ FFTW_INC = $(GCC_DIR)/fftw/3.3/include
FFTW_LIB = $(GCC_DIR)/fftw/3.3/lib
LIBINT_INC = $(GCC_DIR)/libint/1.1.6-LARGE_L/include
LIBINT_LIB = $(GCC_DIR)/libint/1.1.6-LARGE_L/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.2.3/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.2.3/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.3.4/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.3.4/lib
LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.9/include
LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.9/lib
DFLAGS = -D__ELPA=201705 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
@@ -1,5 +1,5 @@
# Tested with: GFortran 6.4.0, MPICH 3.2.1, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 1.1.6, Libxc 4.2.3, libxsmm 1.9, ELPA 2017.05.003, PLUMED 2.4.1
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, February 2019)
# Tested with: GFortran 6.4.0, MPICH 3.2.1, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.9, ELPA 2017.05.003, PLUMED 2.4.1
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2019)
CC = gcc
CPP =
FC = mpif90
@@ -13,8 +13,8 @@ FFTW_INC = $(GCC_DIR)/fftw/3.3/include
FFTW_LIB = $(GCC_DIR)/fftw/3.3/lib
LIBINT_INC = $(GCC_DIR)/libint/1.1.6-LARGE_L/include
LIBINT_LIB = $(GCC_DIR)/libint/1.1.6-LARGE_L/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.2.3/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.2.3/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.3.4/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.3.4/lib
LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.9/include
LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.9/lib
DFLAGS = -D__ELPA=201705 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
@@ -1,5 +1,5 @@
# Tested with: GFortran 6.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.2.3, libxsmm 1.9
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, February 2019)
# Tested with: GFortran 6.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.9
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2019)
CC = gcc
CPP =
FC = gfortran
@@ -9,8 +9,8 @@ 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/4.2.3-regtest/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.2.3-regtest/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.3.4-regtest/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.3.4-regtest/lib
LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.9/include
LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.9/lib
DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__CHECK_DIAG
@@ -1,4 +1,4 @@
# Tested with: GFortran 6.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.2.3, libxsmm 1.9
# Tested with: GFortran 6.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.9
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, February 2019)
CC = gcc
CPP =
@@ -9,8 +9,8 @@ FFTW_INC = $(GCC_DIR)/fftw/3.3/include
FFTW_LIB = $(GCC_DIR)/fftw/3.3/lib
LIBINT_INC = $(GCC_DIR)/libint/1.1.6-LARGE_L/include
LIBINT_LIB = $(GCC_DIR)/libint/1.1.6-LARGE_L/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.2.3/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.2.3/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.3.4/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.3.4/lib
LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.9/include
LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.9/lib
DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
@@ -1,4 +1,4 @@
# Tested with: GFortran 6.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.2.3, libxsmm 1.9
# Tested with: GFortran 6.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.9
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, February 2019)
CC = gcc
CPP =
@@ -9,8 +9,8 @@ FFTW_INC = $(GCC_DIR)/fftw/3.3/include
FFTW_LIB = $(GCC_DIR)/fftw/3.3/lib
LIBINT_INC = $(GCC_DIR)/libint/1.1.6-LARGE_L/include
LIBINT_LIB = $(GCC_DIR)/libint/1.1.6-LARGE_L/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.2.3/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.2.3/lib
LIBXC_INC = $(GCC_DIR)/libxc/4.3.4/include
LIBXC_LIB = $(GCC_DIR)/libxc/4.3.4/lib
LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.9/include
LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.9/lib
DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM\

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