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localPackages.vasp: enable fftlib for some builds

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陈浩南 2024-03-22 20:43:10 +08:00
parent 59b7fab8bc
commit 6cbe29b4f6
5 changed files with 26 additions and 28 deletions
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12
local/pkgs/vasp/amd/makefile.include-6.3.1
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@ -83,9 +83,9 @@ WANNIER90_ROOT ?= /path/to/your/wannier90/installation
LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
# For the fftlib library (recommended) # For the fftlib library (recommended)
#CPP_OPTIONS+= -Dsysv CPP_OPTIONS+= -Dsysv
#FCL += fftlib.o FCL += fftlib.o
#CXX_FFTLIB = clang++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE CXX_FFTLIB = clang++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE
#INCS_FFTLIB = -I./include -I$(AMDFFTW_ROOT)/include INCS_FFTLIB = -I./include -I$(AMDFFTW_ROOT)/include
#LIBS += fftlib LIBS += fftlib
#LLIBS += -ldl LLIBS += -ldl

12
local/pkgs/vasp/amd/makefile.include-6.4.0
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@ -83,9 +83,9 @@ WANNIER90_ROOT ?= /path/to/your/wannier90/installation
LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
# For the fftlib library (recommended) # For the fftlib library (recommended)
#CPP_OPTIONS+= -Dsysv CPP_OPTIONS+= -Dsysv
#FCL += fftlib.o FCL += fftlib.o
#CXX_FFTLIB = clang++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE CXX_FFTLIB = clang++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE
#INCS_FFTLIB = -I./include -I$(AMDFFTW_ROOT)/include INCS_FFTLIB = -I./include -I$(AMDFFTW_ROOT)/include
#LIBS += fftlib LIBS += fftlib
#LLIBS += -ldl LLIBS += -ldl

15
local/pkgs/vasp/gnu-mkl/makefile.include-6.4.0
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@ -78,11 +78,10 @@ CPP_OPTIONS += -DVASP2WANNIER90
WANNIER90_ROOT ?= /path/to/your/wannier90/installation WANNIER90_ROOT ?= /path/to/your/wannier90/installation
LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
# For the fftlib library (recommended) # For the fftlib library (hardly any benefit in combination with MKL's FFTs)
CPP_OPTIONS+= -Dsysv #CPP_OPTIONS+= -Dsysv
FCL += fftlib.o #FCL += fftlib.o
CXX_FFTLIB = g++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE #CXX_FFTLIB = g++ -fopenmp -std=c++11 -DFFTLIB_USE_MKL -DFFTLIB_THREADSAFE
# INCS_FFTLIB = -I./include -I$(FFTW_ROOT)/include #INCS_FFTLIB = -I./include -I$(MKLROOT)/include/fftw
INCS_FFTLIB = -I./include #LIBS += fftlib
LIBS += fftlib #LLIBS += -ldl
LLIBS += -ldl

12
local/pkgs/vasp/gnu/makefile.include-6.3.1
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@ -84,9 +84,9 @@ WANNIER90_ROOT ?= /path/to/your/wannier90/installation
LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
# For the fftlib library (recommended) # For the fftlib library (recommended)
#CPP_OPTIONS+= -Dsysv CPP_OPTIONS+= -Dsysv
#FCL += fftlib.o FCL += fftlib.o
#CXX_FFTLIB = g++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE CXX_FFTLIB = g++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE
#INCS_FFTLIB = -I./include -I$(FFTW_ROOT)/include INCS_FFTLIB = -I./include -I$(FFTW_ROOT)/include
#LIBS += fftlib LIBS += fftlib
#LLIBS += -ldl LLIBS += -ldl

3
local/pkgs/vasp/gnu/makefile.include-6.4.0
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@ -87,7 +87,6 @@ LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
CPP_OPTIONS+= -Dsysv CPP_OPTIONS+= -Dsysv
FCL += fftlib.o FCL += fftlib.o
CXX_FFTLIB = g++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE CXX_FFTLIB = g++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE
# INCS_FFTLIB = -I./include -I$(FFTW_ROOT)/include INCS_FFTLIB = -I./include -I$(FFTW_ROOT)/include
INCS_FFTLIB = -I./include
LIBS += fftlib LIBS += fftlib
LLIBS += -ldl LLIBS += -ldl