1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62
|
Index: elkcode/make.inc
===================================================================
--- elkcode.orig/make.inc
+++ elkcode/make.inc
@@ -47,16 +47,16 @@ SRC_LIBXC = libxcifc_stub.f90
# To enable Libxc first download and compile version 6.x of the library. Next
# copy the files libxcf03.a and libxc.a to the elk/src directory and uncomment
# the following lines.
-#LIB_LIBXC = libxcf03.a libxc.a
-#SRC_LIBXC = libxcf03.f90 libxcifc.f90
+LIB_LIBXC = `pkg-config --cflags --libs libxc` -lxcf03
+SRC_LIBXC = libxcifc.f90
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_W90S = w90_stub.f90
# To enable the Wannier90 library copy libwannier.a to the elk/src directory and
# uncomment the following lines.
-#SRC_W90S =
-#LIB_W90 = libwannier.a
+SRC_W90S =
+LIB_W90 = -lwannier
#-------------------------------------------------------------------------------
@@ -76,11 +76,11 @@ SRC_W90S = w90_stub.f90
#-------------------------------------------------------------------------------
# Intel Fortran compiler classic (ifort) version 18 and later.
-F90 = mpiifort
-F90_OPTS = -O3 -xHost -ipo -qopenmp -mkl=parallel
-F90_LIB = -liomp5 -lpthread -lm -ldl
-SRC_MKL =
-AR = xiar
+#F90 = mpiifort
+#F90_OPTS = -O3 -xHost -ipo -qopenmp -mkl=parallel
+#F90_LIB = -liomp5 -lpthread -lm -ldl
+#SRC_MKL =
+#AR = xiar
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
@@ -99,11 +99,14 @@ AR = xiar
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
-# GNU Fortran compiler with OpenBLAS, LAPACK and FFTW.
-#F90 = mpif90
-#F90_OPTS = -Ofast -march=native -mtune=native -fopenmp -ffpe-summary=none -Wno-lto-type-mismatch
-#F90_LIB = -lopenblas -llapack -lfftw3 -lfftw3f
-#SRC_OBLAS =
+# GNU Fortran compiler with BLAS, LAPACK and FFTW.
+F90 = mpif90
+F90_OPTS :=
+F90_OPTS += `dpkg-buildflags --get FFLAGS`
+F90_OPTS += `dpkg-buildflags --get CPPFLAGS`
+F90_OPTS += -I/usr/include -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch
+F90_OPTS += `dpkg-buildflags --get LDFLAGS`
+F90_LIB = -lblas -llapack `pkg-config --libs fftw3` `pkg-config --libs fftw3f`
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
|