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add fftw3 library
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When running the old binary on MacOS, I'm getting

WARNING : FFT library FFTW3 is not available  Trying FFTSG as a default
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ltalirz committed Jan 13, 2021
1 parent 5243899 commit 3eb0b02
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Showing 3 changed files with 5 additions and 3 deletions.
4 changes: 2 additions & 2 deletions recipe/Darwin-x86-64-conda.ssmp
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Expand Up @@ -18,9 +18,9 @@
CPP = $(CC)-cpp
CPPFLAGS += -C -P -traditional -D__NO_IPI_DRIVER -nostdinc
AR += -r
DFLAGS = -D__NO_STATM_ACCESS -D__ACCELERATE
DFLAGS = -D__NO_STATM_ACCESS -D__ACCELERATE -D__FFTW3
FCFLAGS = $(FFLAGS) -ffree-form $(DFLAGS) -fbacktrace -fopenmp
LIBS = -framework Accelerate
LIBS = -framework Accelerate -lfftw3 -lfftw3_omp

# Using LDFLAGS_LD since cp2k passes the LDFLAGS directly to the linker
LDFLAGS = $(LDFLAGS_LD) -lgfortran -lc -lgomp
3 changes: 2 additions & 1 deletion recipe/Linux-x86-64-conda.ssmp
Original file line number Diff line number Diff line change
Expand Up @@ -18,8 +18,9 @@

AR = $(GCC_AR) -r
CPPFLAGS += -C -P -traditional -D__NO_IPI_DRIVER -nostdinc
DFLAGS = -D__FFTW3
FCFLAGS = $(FFLAGS) -ffree-form -fopenmp
LIBS = -llapack -lblas
LIBS = -llapack -lblas -fftw3 -lfftw3_omp
# Since LDFLAGS_LD is missing, we are linking using gfortran (which can use LDFLAGS)
LD = $(FC)
LDFLAGS += -fopenmp -Wl,-lgomp
1 change: 1 addition & 0 deletions recipe/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -32,6 +32,7 @@ requirements:
host:
- libblas
- liblapack
- fftw

test:
commands:
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