BYE BYE MAKEFILE ninja !
49
Makefile
@ -1,49 +0,0 @@
|
||||
BLUE=[34m
|
||||
BLACK=(B[m
|
||||
|
||||
|
||||
.PHONY: doc src ocaml build binary
|
||||
|
||||
default:
|
||||
@echo -----------------------------------------------
|
||||
@echo To set up the environment, run
|
||||
@echo ./setup_environment.sh
|
||||
@echo
|
||||
@echo To compile everything, run
|
||||
@echo make build
|
||||
@echo
|
||||
@echo To compile a binary distribution for export, run
|
||||
@echo make binary
|
||||
@echo -----------------------------------------------
|
||||
|
||||
ifndef QPACKAGE_ROOT
|
||||
build:
|
||||
@echo -------------------- Error --------------------
|
||||
@echo QPACKAGE_ROOT undefined.
|
||||
@echo Run
|
||||
@echo ./setup_environment.sh
|
||||
@echo or
|
||||
@echo source quantum_package.rc
|
||||
@echo -----------------------------------------------
|
||||
else
|
||||
build:
|
||||
$(MAKE) -C src
|
||||
$(MAKE) -C ocaml
|
||||
endif
|
||||
|
||||
binary:
|
||||
$(QPACKAGE_ROOT)/scripts/make_binary.sh
|
||||
|
||||
doc:
|
||||
$(MAKE) -C doc
|
||||
|
||||
src:
|
||||
$(MAKE) -C src
|
||||
|
||||
ocaml:
|
||||
$(MAKE) ocaml/Qptypes.ml
|
||||
|
||||
veryclean:
|
||||
rm -rf EZFIO
|
||||
rm -rf resultsFile
|
||||
$(MAKE) -C src veryclean
|
@ -9,9 +9,9 @@ import sys
|
||||
import glob
|
||||
from os.path import join
|
||||
from collections import namedtuple
|
||||
from collections import defaultdict
|
||||
|
||||
try:
|
||||
from module_handler import file_dependency
|
||||
from module_handler import get_dict_module_boss, get_dict_genealogy_desc
|
||||
from read_compilation_cfg import get_compilation_option
|
||||
from docopt import docopt
|
||||
@ -296,32 +296,55 @@ def ninja_symlink_build(path_module, l_symlink):
|
||||
# o ._ ._ _|_ (_| / \ ._ _ _. | _
|
||||
# | | |_) | | \_/ o | | | (_| |< (/_
|
||||
# |
|
||||
def get_l_irp_for_module(path_module_abs):
|
||||
def get_l_file_for_module(path_module_abs):
|
||||
'''
|
||||
return the list of irp.f in a module
|
||||
'''
|
||||
dump = []
|
||||
l_irp = []
|
||||
l_src = []
|
||||
l_obj = []
|
||||
|
||||
l_template = []
|
||||
|
||||
for f in os.listdir(path_module_abs):
|
||||
if f.endswith(".irp.f"):
|
||||
dump.append(join(path_module_abs, f))
|
||||
if f == "EZFIO.cfg":
|
||||
dump.append(join(path_module_abs, "ezfio_interface.irp.f"))
|
||||
return dump
|
||||
if f.endswith(".template.f"):
|
||||
l_template.append(join(path_module_abs, f))
|
||||
elif f.endswith(".irp.f"):
|
||||
l_irp.append(join(path_module_abs, f))
|
||||
elif any(f.endswith("{0}".format(i)) for i in [".f",
|
||||
".f90",
|
||||
".c",
|
||||
".cpp",
|
||||
".cxx"]):
|
||||
l_src.append(join(path_module_abs, f))
|
||||
obj = '{0}.o'.format(os.path.splitext(f)[0])
|
||||
l_obj.append(join(path_module_abs, obj))
|
||||
elif f == "EZFIO.cfg":
|
||||
l_irp.append(join(path_module_abs, "ezfio_interface.irp.f"))
|
||||
|
||||
d = dict()
|
||||
d["l_irp"] = l_irp
|
||||
d["l_src"] = l_src
|
||||
d["l_obj"] = l_obj
|
||||
d["l_template"] = l_template
|
||||
|
||||
return d
|
||||
|
||||
|
||||
def get_irp_dependency(d_info_module):
|
||||
def get_file_dependency(d_info_module):
|
||||
"""
|
||||
For a module return all the irp.f90 file who depend
|
||||
"""
|
||||
d_irp = dict()
|
||||
d_irp = defaultdict(dict)
|
||||
|
||||
for module, l_children in d_info_module.iteritems():
|
||||
|
||||
dump = get_l_irp_for_module(module.abs)
|
||||
for children in l_children:
|
||||
dump.extend(get_l_irp_for_module(children.abs))
|
||||
for key, values in get_l_file_for_module(module.abs).iteritems():
|
||||
d_irp[module][key] = values
|
||||
|
||||
d_irp[module] = dump
|
||||
for children in l_children:
|
||||
for key, values in get_l_file_for_module(children.abs).iteritems():
|
||||
d_irp[module][key].extend(values)
|
||||
|
||||
return d_irp
|
||||
|
||||
@ -377,20 +400,22 @@ def ninja_irpf90_make_build(path_module, l_needed_molule, d_irp):
|
||||
# D e p e n d a n c y #
|
||||
# ~#~#~#~#~#~#~#~#~#~ #
|
||||
|
||||
l_irp_need = d_irp[path_module]
|
||||
l_irp_need = d_irp[path_module]["l_irp"]
|
||||
l_src = d_irp[path_module]["l_src"]
|
||||
l_obj = d_irp[path_module]["l_obj"]
|
||||
l_template = d_irp[path_module]["l_template"]
|
||||
|
||||
if l_needed_molule:
|
||||
l_destination = ["l_symlink_{0}".format(path_module.rel)]
|
||||
else:
|
||||
l_destination = []
|
||||
|
||||
str_depend = " ".join(l_irp_need + l_destination)
|
||||
str_depend = " ".join(l_irp_need + l_destination + l_src + l_template)
|
||||
|
||||
# ~#~#~#~#~#~#~#~#~#~#~ #
|
||||
# N i n j a _ b u i l d #
|
||||
# ~#~#~#~#~#~#~#~#~#~#~ #
|
||||
|
||||
l_src, l_obj = file_dependency(path_module.rel)
|
||||
l_include_dir = ["-I {0}".format(m.rel) for m in l_needed_molule]
|
||||
|
||||
l_string = [
|
||||
@ -467,9 +492,6 @@ def get_dict_binaries(mode="development"):
|
||||
Example : The module Full_CI can produce the binary SCF
|
||||
so you dont need to use at all the module Hartree-Fock
|
||||
"""
|
||||
|
||||
from collections import defaultdict
|
||||
|
||||
d_binaries = defaultdict(list)
|
||||
|
||||
# Create d_binaries
|
||||
@ -628,7 +650,7 @@ if __name__ == "__main__":
|
||||
|
||||
d_genealogy = get_dict_genealogy_desc()
|
||||
d_genealogy_path = dict_module_genelogy_path(d_genealogy)
|
||||
d_irp = get_irp_dependency(d_genealogy_path)
|
||||
d_irp = get_file_dependency(d_genealogy_path)
|
||||
|
||||
d_binaries_production = get_dict_binaries("production")
|
||||
d_binaries_development = get_dict_binaries("development")
|
||||
@ -673,5 +695,5 @@ if __name__ == "__main__":
|
||||
d_binaries_production)
|
||||
l_string += ninja_readme_build(module_to_compile)
|
||||
|
||||
with open(join(QPACKAGE_ROOT, "build.ninja"), "w+") as f:
|
||||
f.write("\n".join(l_string))
|
||||
with open(join(QPACKAGE_ROOT, "build.ninja"), "w+") as f:
|
||||
f.write("\n".join(l_string))
|
||||
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=bitmasks_module.f90
|
||||
OBJ=IRPF90_temp/bitmasks_module.o
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 91 KiB After Width: | Height: | Size: 88 KiB |
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 108 KiB After Width: | Height: | Size: 105 KiB |
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 92 KiB After Width: | Height: | Size: 88 KiB |
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 109 KiB After Width: | Height: | Size: 106 KiB |
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 59 KiB After Width: | Height: | Size: 55 KiB |
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 64 KiB After Width: | Height: | Size: 59 KiB |
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=pseudopot.f90
|
||||
OBJ=IRPF90_temp/pseudopot.o
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 38 KiB After Width: | Height: | Size: 35 KiB |
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
Before Width: | Height: | Size: 43 KiB After Width: | Height: | Size: 40 KiB |
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,53 +0,0 @@
|
||||
.PHONY: default silent
|
||||
export
|
||||
ifneq ($(IN_MAKE),1)
|
||||
|
||||
default:
|
||||
@$(MAKE) -C $(QPACKAGE_ROOT)/src $$(basename $(PWD))
|
||||
|
||||
veryclean:
|
||||
clean_modules.sh
|
||||
|
||||
clean:
|
||||
IN_MAKE=1 make clean
|
||||
|
||||
else # Called by scripts/build_module.sh
|
||||
|
||||
default: all .gitignore
|
||||
|
||||
# Include the user's config
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.config
|
||||
|
||||
# Create the NEEDED_CHILDREN_MODULES variable, needed for IRPF90
|
||||
NEEDED_CHILDREN_MODULES=$(shell module_handler.py print_genealogy)
|
||||
|
||||
# Check and update dependencies
|
||||
include Makefile.depend
|
||||
|
||||
|
||||
# Define the Makefile common variables
|
||||
EZFIO_DIR=$(QPACKAGE_ROOT)/EZFIO
|
||||
EZFIO=$(EZFIO_DIR)/lib/libezfio_irp.a
|
||||
INCLUDE_DIRS=$(NEEDED_CHILDREN_MODULES) include
|
||||
|
||||
clean_links:
|
||||
rm -f $(INCLUDE_DIRS) $$(basename $$PWD)
|
||||
|
||||
LIB+=$(EZFIO) $(MKL)
|
||||
IRPF90+=$(patsubst %, -I %, $(INCLUDE_DIRS)) $(IRPF90_FLAGS)
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile $(EZFIO) NEEDED_CHILDREN_MODULES $(wildcard *.py)
|
||||
- $(IRPF90)
|
||||
- update_README.py
|
||||
|
||||
include irpf90.make
|
||||
|
||||
endif
|
||||
|
||||
.gitignore:
|
||||
$(QPACKAGE_ROOT)/scripts/create/create_gitignore.sh
|
||||
|
||||
# Frequent typos
|
||||
clena: clean
|
||||
veryclena: veryclean
|
||||
vercylean: veryclean
|
@ -1,34 +0,0 @@
|
||||
OPENMP =1
|
||||
PROFILE =0
|
||||
DEBUG = 0
|
||||
|
||||
IRPF90_FLAGS+= --align=32
|
||||
FC = ifort -g
|
||||
#FC = cache_compile.py ifort -g # Accelerates compilation
|
||||
FCFLAGS=
|
||||
FCFLAGS+= -xHost
|
||||
#FCFLAGS+= -xAVX
|
||||
FCFLAGS+= -O2
|
||||
FCFLAGS+= -ip
|
||||
FCFLAGS+= -opt-prefetch
|
||||
FCFLAGS+= -ftz
|
||||
MKL=-mkl=parallel
|
||||
NINJA=ninja
|
||||
|
||||
ifeq ($(PROFILE),1)
|
||||
FC += -p -g
|
||||
CXX += -pg
|
||||
endif
|
||||
|
||||
ifeq ($(OPENMP),1)
|
||||
FC += -openmp
|
||||
IRPF90_FLAGS += --openmp
|
||||
CXX += -fopenmp
|
||||
endif
|
||||
|
||||
ifeq ($(DEBUG),1)
|
||||
FC += -C -traceback -fpe0
|
||||
FCFLAGS+= -axSSE2
|
||||
IRPF90_FLAGS += -a
|
||||
#FCFLAGS =-O0
|
||||
endif
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
26
src/QmcChem/.gitignore
vendored
Normal file
@ -0,0 +1,26 @@
|
||||
#
|
||||
# Do not modify this file. Add your ignored files to the gitignore
|
||||
# (without the dot at the beginning) file.
|
||||
#
|
||||
IRPF90_temp
|
||||
IRPF90_man
|
||||
irpf90.make
|
||||
tags
|
||||
Makefile.depend
|
||||
irpf90_entities
|
||||
build.ninja
|
||||
.ninja_log
|
||||
.ninja_deps
|
||||
Pseudo
|
||||
Integrals_Monoelec
|
||||
Bitmask
|
||||
Integrals_Bielec
|
||||
AOs
|
||||
MOs
|
||||
Determinants
|
||||
Electrons
|
||||
DensityFit
|
||||
Utils
|
||||
Nuclei
|
||||
Ezfio_files
|
||||
save_for_qmcchem
|
@ -1,6 +1,16 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
IRPF90 = irpf90 #-a -d
|
||||
FC = gfortran
|
||||
FCFLAGS= -O2 -ffree-line-length-none -I .
|
||||
NINJA = ninja
|
||||
AR = ar
|
||||
RANLIB = ranlib
|
||||
|
||||
SRC=
|
||||
OBJ=
|
||||
LIB=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
||||
include irpf90.make
|
||||
export
|
||||
|
||||
irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile
|
||||
$(IRPF90)
|
||||
|
BIN
src/QmcChem/tree_dependency.png
Normal file
After Width: | Height: | Size: 73 KiB |
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
SRC=
|
||||
OBJ=
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|
@ -1,6 +0,0 @@
|
||||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/constants.F
|
||||
SRC=map_module.f90
|
||||
OBJ=IRPF90_temp/map_module.o
|
||||
|
||||
include $(QPACKAGE_ROOT)/src/Makefile.common
|