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add fftw3 library #12

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merged 4 commits into from
Jan 13, 2021
Merged

add fftw3 library #12

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08a1517
add fftw3 library
ltalirz Jan 13, 2021
8630ace
MNT: Re-rendered with conda-build 3.21.3, conda-smithy 3.8.6, and con…
Jan 13, 2021
8d8378c
Apply suggestions from code review
ltalirz Jan 13, 2021
fa32749
fix typo
ltalirz Jan 13, 2021
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7 changes: 7 additions & 0 deletions .ci_support/linux_64_.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,8 @@ cxx_compiler_version:
- '9'
docker_image:
- quay.io/condaforge/linux-anvil-comp7
fftw:
- '3'
fortran_compiler:
- gfortran
fortran_compiler_version:
Expand All @@ -22,9 +24,14 @@ libblas:
- 3.8 *netlib
liblapack:
- 3.8 *netlib
pin_run_as_build:
fftw:
max_pin: x
target_platform:
- linux-64
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- fortran_compiler_version
- - cdt_name
- docker_image
5 changes: 5 additions & 0 deletions .ci_support/osx_64_.yaml
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Expand Up @@ -12,6 +12,8 @@ cxx_compiler:
- clangxx
cxx_compiler_version:
- '11'
fftw:
- '3'
fortran_compiler:
- gfortran
fortran_compiler_version:
Expand All @@ -22,6 +24,9 @@ liblapack:
- 3.8 *netlib
macos_machine:
- x86_64-apple-darwin13.4.0
pin_run_as_build:
fftw:
max_pin: x
target_platform:
- osx-64
zip_keys:
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12 changes: 8 additions & 4 deletions .scripts/run_docker_build.sh
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6 changes: 3 additions & 3 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
FCFLAGS = $(FFLAGS) -ffree-form $(DFLAGS) -fbacktrace -fopenmp
LIBS = -framework Accelerate
DFLAGS = -D__NO_STATM_ACCESS -D__ACCELERATE -D__FFTW3
FCFLAGS = $(FFLAGS) -fbacktrace -ffree-form -fimplicit-none -std=f2008 -fopenmp $(DFLAGS)
LIBS = -framework Accelerate -lfftw3 -lfftw3_omp

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

AR = $(GCC_AR) -r
CPPFLAGS += -C -P -traditional -D__NO_IPI_DRIVER -nostdinc
FCFLAGS = $(FFLAGS) -ffree-form -fopenmp
LIBS = -llapack -lblas
DFLAGS = -D__FFTW3
FCFLAGS = $(FFLAGS) -fbacktrace -ffree-form -fimplicit-none -std=f2008 -fopenmp $(DFLAGS)
LIBS = -llapack -lblas -lfftw3 -lfftw3_omp
# Since LDFLAGS_LD is missing, we are linking using gfortran (which can use LDFLAGS)
LD = $(FC)
LDFLAGS += -fopenmp -Wl,-lgomp
3 changes: 2 additions & 1 deletion recipe/meta.yaml
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Expand Up @@ -13,7 +13,7 @@ source:
- macosxtest.patch # [osx]

build:
number: 3
number: 4
skip: True # [not (linux or osx) ]

requirements:
Expand All @@ -32,6 +32,7 @@ requirements:
host:
- libblas
- liblapack
- fftw

test:
commands:
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