Add some compilation options to the Makefile.
It is now possible to use an external lapack version. If using directly the Makefile, use make pybinding USE_MKL=1 LINKER_FLAGS=-L$(MKLROOT) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential If using the install script, you can choose to edit each option of the compilation
This commit is contained in:
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@ -1,4 +1,4 @@
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#!/bin/sh
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#!/bin/bash
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# vim: set ts=4 sw=4 sts noet mouse=a fdm=indent:
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BYPASS="n"
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@ -10,6 +10,13 @@ DATE=$(date +%Y%m%d_%H%M%S)
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LOGFILE="${HOME}/msspec_install_${DATE}.log"
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GETOUTFILE=$(mktemp)
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USE_MKL=0
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LINKER_FLAGS=""
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COMP=gfortran
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COMP_OPTS="-O2 -ffast-math -fno-automatic"
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DEBUG_MODE=0
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trap "abort_install" INT
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trap "error_exit" HUP QUIT ILL ABRT
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@ -101,6 +108,7 @@ wrap () {
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log_message "================================================================================"
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log_message "$2"
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log_message "================================================================================"
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log_message "$1"
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if [ "$DEBUG" = y ]; then
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printf "%s...\n" "$2"
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(eval "$1" || echo $? >"${GETOUTFILE}") | tee -a "${LOGFILE}"
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@ -211,9 +219,38 @@ local_install () {
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# check dependencies
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wrap "check_dependencies" "Checking dependencies"
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# build the Fortran code
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wrap "make pybinding VERBOSE=1" "Building Phagen and Spec Python dynamic library"
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# Do we have Lapack.
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log_message "Checking if lapack is installed..."
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pkg-config --exists lapack
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if test "$?" -ne 0; then
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HAS_LAPACK="n"
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log_message "No, will use included routines\n"
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else
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HAS_LAPACK="y"
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log_message "Ok\n"
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fi
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if [ x"${HAS_LAPACK}" = xy ]; then
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read_yes_no "You have Lapack. Do you wish to link with installed lapack" "y"
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if [ x"${ANSWER}" = xy ]; then
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USE_MKL=1
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LINKER_FLAGS=`pkg-config --libs lapack`
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fi
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fi
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# ask for expert options
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read_yes_no "Do you wish to edit compilation options" "n"
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if [ x"${ANSWER}" = xy ]; then
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read -ep "FORTRAN COMPILER...................> " -i "${COMP}" COMP
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read -ep "COMPILER OPTIONS...................> " -i "${COMP_OPTS}" COMP_OPTS
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read -ep "USE EXTERNAL LAPACK (0:no, 1:yes)..> " -i "${USE_MKL}" USE_MKL
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read -ep "LINKER FLAGS.......................> " -i "${LINKER_FLAGS}" LINKER_FLAGS
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read -ep "INCLUDE DEBUG SYMBOLS (0:no, 1:yes)> " -i "${DEBUG_MODE}" DEBUG_MODE
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fi
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# build the Fortran code
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wrap "make pybinding VERBOSE=1 USE_MKL=${USE_MKL} LINKER_FLAGS=\"${LINKER_FLAGS}\" COMP=\"${COMP}\" COMP_OPTS=\"${COMP_OPTS}\" DEBUG=\"${DEBUG_MODE}\"" "Building Phagen and Spec Python dynamic library"
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exit
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# build the source distribution
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wrap "make sdist VERBOSE=1" "Building msspec python package"
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@ -1,46 +1,52 @@
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COMP:=gfortran
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F2PY:=f2py3
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COMP_OPTS:= -O2 -ffast-math
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COMP_OPTS:= -O2 -ffast-math -fno-automatic
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LINKER_FLAGS:=
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F2PY_OPTS:=
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DEBUG:=0
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USE_MKL:=0
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includes := -I./memalloc/ -I./cluster_gen/ -I./common_sub -I./renormalization
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includes += -I./phd_se_noso_nosp_nosym
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includes += -I./eig/common -I./eig/mi -I./eig/pw
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memalloc_src:=memalloc/dim_mod.f memalloc/modules.f memalloc/allocation.f
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memalloc_obj:=$(patsubst %.f,%.o, $(memalloc_src))
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cluster_gen_src:=$(wildcard cluster_gen/*.f)
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cluster_gen_obj:=$(patsubst %.f,%.o, $(cluster_gen_src))
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common_sub_src:=$(wildcard common_sub/*.f)
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common_sub_obj:=$(patsubst %.f,%.o, $(common_sub_src))
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renormalization_src:=$(wildcard renormalization/*.f)
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renormalization_obj:=$(patsubst %.f,%.o, $(renormalization_src))
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phd_se_noso_nosp_nosym_src:=$(filter-out phd_se_noso_nosp_nosym/main.f, $(wildcard phd_se_noso_nosp_nosym/*.f))
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phd_se_noso_nosp_nosym_obj:=$(patsubst %.f,%.o, $(phd_se_noso_nosp_nosym_src))
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phd_mi_noso_nosp_nosym_src:=$(filter-out phd_mi_noso_nosp_nosym/main.f, $(wildcard phd_mi_noso_nosp_nosym/*.f))
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phd_mi_noso_nosp_nosym_obj:=$(patsubst %.f,%.o, $(phd_mi_noso_nosp_nosym_src))
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eig_common_src:=$(wildcard eig/common/*.f)
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eig_common_obj:=$(patsubst %.f,%.o, $(eig_common_src))
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eig_mi_src:=$(filter-out eig/mi/main.f, $(wildcard eig/mi/*.f))
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eig_mi_obj:=$(patsubst %.f,%.o, $(eig_mi_src))
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eig_pw_src:=$(filter-out eig/pw/main.f, $(wildcard eig/pw/*.f))
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eig_pw_obj:=$(patsubst %.f,%.o, $(eig_pw_src))
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ifeq ($(USE_MKL), 1)
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eig_common_src:=$(filter-out $(wildcard eig/common/lapack*.f), $(eig_common_src))
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phd_mi_noso_nosp_nosym_src:=$(filter-out $(wildcard phd_mi_noso_nosp_nosym/lapack*.f), $(phd_mi_noso_nosp_nosym))
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LINKER_FLAGS:=$(shell pkg-config --libs lapack)
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# MKL:=-L$(MKLROOT) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential
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endif
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objects_src := $(memalloc_src) $(cluster_gen_src) $(common_sub_src)
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objects_src += $(renormalization_src) $(phd_se_noso_nosp_nosym_src)
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objects_src += $(eig_common_src) $(eig_mi_src) $(eig_pw_src)
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objects_src += $(phd_mi_noso_nosp_nosym_src)
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memalloc_obj:=$(patsubst %.f,%.o, $(memalloc_src))
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cluster_gen_obj:=$(patsubst %.f,%.o, $(cluster_gen_src))
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common_sub_obj:=$(patsubst %.f,%.o, $(common_sub_src))
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renormalization_obj:=$(patsubst %.f,%.o, $(renormalization_src))
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phd_se_noso_nosp_nosym_obj:=$(patsubst %.f,%.o, $(phd_se_noso_nosp_nosym_src))
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phd_mi_noso_nosp_nosym_obj:=$(patsubst %.f,%.o, $(phd_mi_noso_nosp_nosym_src))
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eig_common_obj:=$(patsubst %.f,%.o, $(eig_common_src))
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eig_mi_obj:=$(patsubst %.f,%.o, $(eig_mi_src))
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eig_pw_obj:=$(patsubst %.f,%.o, $(eig_pw_src))
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objects:=$(patsubst %.f,%.o, $(objects_src))
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libs_targets := phd_se_noso_nosp_nosym.target phd_mi_noso_nosp_nosym.target eig_mi.target eig_pw.target
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@ -58,6 +64,8 @@ export COMP_OPTS
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.PHONY: clean
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truc:
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@echo $(eig_common_src)
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pybinding: $(libs_targets)
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@ -68,17 +76,17 @@ phd_se_noso_nosp_nosym.target: $(memalloc_obj) $(cluster_gen_obj) $(common_sub_o
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phd_mi_noso_nosp_nosym.target: $(memalloc_obj) $(cluster_gen_obj) $(common_sub_obj) $(renormalization_obj) $(phd_mi_noso_nosp_nosym_obj)
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@echo "building Python binding..."
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@$(F2PY) $(includes) $^ $(F2PY_OPTS) -c -m $(patsubst %.target, %, $@) phd_mi_noso_nosp_nosym/main.f
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@$(F2PY) $(includes) $^ $(F2PY_OPTS) -c -m $(patsubst %.target, %, $@) phd_mi_noso_nosp_nosym/main.f $(LINKER_FLAGS)
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@touch $@
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eig_mi.target: $(memalloc_obj) $(cluster_gen_obj) $(common_sub_obj) $(renormalization_obj) $(eig_common_obj) $(eig_mi_obj)
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@echo "building Python binding..."
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@$(F2PY) $(includes) $^ $(F2PY_OPTS) -c -m $(patsubst %.target, %, $@) eig/mi/main.f
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@$(F2PY) $(includes) $^ $(F2PY_OPTS) -c -m $(patsubst %.target, %, $@) eig/mi/main.f $(LINKER_FLAGS)
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@touch $@
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eig_pw.target: $(memalloc_obj) $(cluster_gen_obj) $(common_sub_obj) $(renormalization_obj) $(eig_common_obj) $(eig_pw_obj)
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@echo "building Python binding..."
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@$(F2PY) $(includes) $^ $(F2PY_OPTS) -c -m $(patsubst %.target, %, $@) eig/pw/main.f
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@$(F2PY) $(includes) $^ $(F2PY_OPTS) -c -m $(patsubst %.target, %, $@) eig/pw/main.f $(LINKER_FLAGS)
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@touch $@
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%.o: %.f
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