mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-25 22:52:15 +02:00
Ninja work now /tmp/ninja/ninja -v -d explain build_all_binary!
This commit is contained in:
Thomas Applencourt
parent
091708c16b
commit
47b8ca4873
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@ -62,17 +62,11 @@ qp_run.native: $(MLFILES) $(MLIFILES) executables
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$(OCAMLBUILD) $*.native -use-ocamlfind $(PKGS)
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ln -s $*.native $*
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ezfio.ml: ${QPACKAGE_ROOT}/EZFIO/Ocaml/ezfio.ml
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cp ${QPACKAGE_ROOT}/EZFIO/Ocaml/ezfio.ml .
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qptypes_generator.byte: qptypes_generator.ml
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$(OCAMLBUILD) qptypes_generator.byte -use-ocamlfind
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Qptypes.ml: qptypes_generator.byte
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./qptypes_generator.byte > Qptypes.ml
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${QPACKAGE_ROOT}/EZFIO/Ocaml/ezfio.ml:
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$(MAKE) -C ${QPACKAGE_ROOT}/src ezfio
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clean:
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rm -rf _build Qptypes.ml $(ALL_EXE) $(ALL_TESTS)
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@ -48,7 +48,7 @@ def get_hash_key(command, input_data):
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return m.hexdigest()
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def ruun_and_save_the_data(command, path_output, path_key, is_mod):
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def run_and_save_the_data(command, path_output, path_key, is_mod):
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# Compile the file -> .o
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os.system(command)
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@ -56,40 +56,50 @@ def ruun_and_save_the_data(command, path_output, path_key, is_mod):
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# Copy the .o in database if is not a module
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if not is_mod:
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shutil.copyfile(path_output, path_key)
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try:
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shutil.copyfile(path_output, path_key)
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except:
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pass
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def main():
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def cache_utility(command):
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# Create temp directory
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try:
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os.mkdir("/tmp/qp_compiler/")
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except OSError:
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pass
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line = sys.argv[1:]
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command = " ".join(line)
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raise
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# Get the filename of the input.f.90
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# and the otput .o
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try:
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(path_input, path_output) = return_filename_to_cache(command)
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except:
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os.system(command)
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return
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raise OSError
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with open(path_input, 'r') as f:
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input_data = f.read()
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# Get the hash
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key = get_hash_key(command, input_data)
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path_key = os.path.join(TMPDIR, key)
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# Try to return the content of the .o file
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try:
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shutil.copyfile(path_key, path_output)
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except IOError:
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is_mod = mod.search(input_data.replace('\n', ' '))
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ruun_and_save_the_data(command, path_output, path_key, is_mod)
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with open(path_input, 'r') as f:
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input_data = f.read()
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# Get the hash
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key = get_hash_key(command, input_data)
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path_key = os.path.join(TMPDIR, key)
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# Try to return the content of the .o file
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try:
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shutil.copyfile(path_key, path_output)
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except IOError:
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is_mod = mod.search(input_data.replace('\n', ' '))
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run_and_save_the_data(command, path_output, path_key, is_mod)
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except:
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raise
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if __name__ == '__main__':
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main()
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line = sys.argv[1:]
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command = " ".join(line)
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try:
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cache_utility(command)
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except:
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os.system(command)
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@ -5,10 +5,26 @@ import os
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from os.path import join
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from module_handler import module_genealogy
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qpackage_root = os.environ['QPACKAGE_ROOT']
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qpackage_root_src = join(qpackage_root, 'src')
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qpackage_root_ocaml = join(qpackage_root, 'ocaml')
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qpackage_root_ezfio = join(qpackage_root, 'EZFIO')
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ezfio_lib = join(qpackage_root_ezfio, "lib", "libezfio.a")
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from collections import namedtuple
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Path = namedtuple('Path', ['abs', 'rel'])
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EZ_config_path = namedtuple('EZ_config', ['path_in_module', 'path_in_ezfio'])
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EZ_handler = namedtuple('EZ_handler', ['ez_module', 'ez_cfg', 'ez_interface', 'ez_config', 'ez_default', 'ez_ocaml'])
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try:
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from module_handler import module_genealogy
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from cache import cache
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except ImportError:
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print "source .quantum_package.rc"
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# _
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@ -26,8 +42,7 @@ def ninja_makefile_depend_rule():
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def ninja_makefile_depend_build(l_all_needed_molule, path_module):
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l_makefile = [join(qpackage_root_src, i, "Makefile")
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for i in l_all_needed_molule]
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l_makefile = [join(i.abs, "Makefile") for i in l_all_needed_molule]
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# Build
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path_mkdepend = join(path_module.abs, "Makefile.depend")
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@ -42,13 +57,15 @@ def ninja_makefile_depend_build(l_all_needed_molule, path_module):
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return l_string
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import glob
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# _ __ _ ___ _ _
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# |_ / |_ | / \ _ _|_ _
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# |_ /_ | _|_ \_/ o (_ | (_|
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# _|
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def get_module_with_ezfio_cfg():
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def get_l_module_with_ezfio_cfg():
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from os import listdir
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from os.path import isfile, join
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qp_src = qpackage_root_src
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@ -57,39 +74,36 @@ def get_module_with_ezfio_cfg():
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def get_ezfio_config():
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return glob.glob("{0}/*/*.ezfio_config".format(qpackage_root_src))
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# Path in module
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# Path in EZFIO/config/
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# namedtuple('EZ_config', ['path_in_module', 'path_in_ezfio'])
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l = []
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cmd = "{0}/*/*.ezfio_config".format(qpackage_root_src)
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for path_in_module in glob.glob(cmd):
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name_lower = os.path.split(path_in_module)[1].lower()
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path_in_ezfio = join(qpackage_root_ezfio, "config", name_lower)
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l.append(EZ_config_path(path_in_module, path_in_ezfio))
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return l
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def get_l_ezfio_irp(l_all_needed_molule, path_module):
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l_module_abs = [join(qpackage_root_src, m) for m in l_all_needed_molule]
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l_irp = []
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for m in l_module_abs + [path_module.abs]:
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for file in os.listdir(m):
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if file.endswith(".irp.f"):
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l_irp.append(join(m, file))
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if file == "EZFIO.cfg":
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l_irp.append(join(m, "ezfio_interface.irp.f"))
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return l_irp
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@cache
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def get_l_irp_for_module(path_module_abs):
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dump = []
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for file in os.listdir(path_module_abs):
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if file.endswith(".irp.f"):
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dump.append(join(path_module_abs, file))
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if file == "EZFIO.cfg":
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dump.append(join(path_module_abs, "ezfio_interface.irp.f"))
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return dump
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def ninja_ezfio_cfg_rule():
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# Rule
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l_string = ["rule build_ezfio_interface"]
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l_string += [" command = ei_handler.py --path_module $sub_module --irpf90"]
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l_string += [""]
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return l_string
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def ninja_ezfio_interface_config_rule():
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# Rule
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l_string = ["rule build_ezfio_interface_config"]
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l_string += [" command = ei_handler.py --path_module $sub_module --ezfio_config"]
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l_string += [" command = ei_handler.py --path_module $sub_module"]
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l_string += [""]
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return l_string
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@ -104,66 +118,120 @@ def ninja_ezfio_config_rule():
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return l_string
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def ninja_ezfio_cfg_build(l_module_with_ezfio_cfg):
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def get_children_of_ezfio_cfg(l_module_with_ezfio_cfg):
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# Build
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l_string = []
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import re
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p = re.compile(ur'interface:\s+input')
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config_folder = join(qpackage_root_ezfio, "config")
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default_folder = join(qpackage_root, "data", "ezfio_defaults")
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l_util = dict()
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for m in l_module_with_ezfio_cfg:
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ez_interface = join(m, "ezfio_interface.irp.f")
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ez_cfg = join(m, "EZFIO.cfg")
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l_string += ["build {0}: build_ezfio_interface {1}".format(ez_interface,
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ez_cfg)]
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l_string += [" sub_module = {0}".format(m)]
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l_string += [""]
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name_module = os.path.split(m)[1]
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name_module_lower = name_module.lower()
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rel = name_module
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abs_ = m
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ez_module = Path(abs_, rel)
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rel = "EZFIO.cfg"
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abs_ = join(m, "EZFIO.cfg")
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ez_cfg = Path(abs_, rel)
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rel = "ezfio_interface.irp.f"
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abs_ = join(m, rel)
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ez_interface = Path(abs_, rel)
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rel = "{0}.ezfio_interface_config".format(name_module_lower)
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abs_ = join(config_folder, rel)
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ez_config = Path(abs_, rel)
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with open(ez_cfg.abs, 'r') as file_:
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if p.search(file_.read()):
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rel = "{0}.ezfio_interface_default".format(name_module_lower)
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abs_ = join(default_folder, rel)
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ez_default = Path(abs_, rel)
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rel = "Input_{0}.ml".format(name_module_lower)
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abs_ = join(qpackage_root_ocaml, rel)
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ez_ocaml = Path(abs_, rel)
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else:
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ez_default = None
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ez_ocaml = None
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l_util[ez_module.rel] = EZ_handler(ez_module,
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ez_cfg,
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ez_interface,
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ez_config,
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ez_default, ez_ocaml)
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return l_util
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def ninja_ezfio_cfg_build(l_util):
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l_string = []
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for m in l_util.itervalues():
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try:
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str_ = "build {1} {2} {3} {4}: build_ezfio_interface {0}"
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l_string += [str_.format(m.ez_cfg.abs,
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m.ez_interface.abs,
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m.ez_config.abs,
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m.ez_default.abs,
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m.ez_ocaml.abs)]
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except AttributeError:
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str_ = "build {1} {2}: build_ezfio_interface {0}"
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l_string += [str_.format(m.ez_cfg.abs,
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m.ez_interface.abs,
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m.ez_config.abs)]
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finally:
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l_string += [" sub_module = {0}".format(m.ez_module.abs)]
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l_string += [""]
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return l_string
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def ninja_ezfio_config_build(l_module_with_ezfio_cfg,l_ezfio_config):
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def ninja_ezfio_config_build(l_ezfio_config):
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# Build
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l_string = []
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l_file_create = []
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ezfio_folder = join(qpackage_root, "EZFIO/config")
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for m in l_module_with_ezfio_cfg:
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file_source = join(m, "EZFIO.cfg")
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name = "{0}.ezfio_interface_config".format(os.path.split(m)[1].lower())
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file_create = join(ezfio_folder, name)
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l_file_create.append(file_create)
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l_string += ["build {0}: build_ezfio_interface_config {1}".format(file_create, file_source)]
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l_string += [" sub_module = {0}".format(m)]
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l_string += [""]
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for m in l_ezfio_config:
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file_source = m
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name = os.path.split(m)[1].lower()
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file_create = join(ezfio_folder, name)
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file_source = m.path_in_module
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file_create = m.path_in_ezfio
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l_file_create.append(file_create)
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l_string += ["build {0}: build_ezfio_config {1}".format(file_create, file_source)]
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l_string += [""]
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return l_string, l_file_create
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return l_string
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def ninja_ezfio_rule():
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# Rule
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l_string = ["rule build_ezfio"]
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ezfio_folder = join(qpackage_root, "EZFIO")
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l_string += [" command = cd {0}; make ; cd -".format(ezfio_folder)]
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l_string += [" command = cd {0}; make ; cd -".format(qpackage_root_ezfio)]
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l_string += [" description = Make ezfio"]
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return l_string
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def ninja_ezfio_build(l_file_create):
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def ninja_ezfio_build(l_ezfio_config, l_util):
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# Rule
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ezfio_lib = join(qpackage_root, "EZFIO", "lib", "libezfio.a")
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str_ = " ".join(l_file_create)
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ezfio_ocam_lib = join(qpackage_root, "EZFIO", "Ocaml", "ezfio.ml")
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l_string = ["build {0}: build_ezfio {1}".format(ezfio_lib, str_)]
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l = [i.path_in_ezfio for i in l_ezfio_config]
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str_ = " ".join(l + [i.ez_config.abs for i in l_util.itervalues()])
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l_string = ["build {0} {1}: build_ezfio {2}".format(ezfio_lib,
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ezfio_ocam_lib,
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str_)]
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l_string += [""]
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return l_string
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@ -174,12 +242,10 @@ def ninja_ezfio_build(l_file_create):
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# __) \/ | | | | | | | |<
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# /
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def get_source_destination(l_all_needed_molule, path_module):
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l_all_needed_molule_include = l_all_needed_molule + ["include"]
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l_source = [join(qpackage_root_src, m)
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for m in l_all_needed_molule_include]
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l_destination = [join(qpackage_root_src, path_module.rel, m)
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for m in l_all_needed_molule_include]
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l_source = [m.abs for m in l_all_needed_molule]
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l_destination = [join(qpackage_root_src, path_module.rel, m.rel)
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for m in l_all_needed_molule]
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return l_source, l_destination
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@ -187,21 +253,26 @@ def get_source_destination(l_all_needed_molule, path_module):
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def ninja_symlink_rule():
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# Rule
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l_string = ["rule build_symlink"]
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l_string += [" command = ln -s $module_source $module_destination"]
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l_string += [" command = ln -sf $in $out"]
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l_string += [""]
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return l_string
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def ninja_symlink_build(l_source, l_destination):
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def ninja_symlink_build(l_source, l_destination, path_module):
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# Rule
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l_string = []
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for source, destination in zip(l_source, l_destination):
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l_string += ["build {0}: build_symlink".format(destination)]
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l_string += [" module_source = {0}".format(source)]
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l_string += [" module_destination = {0}".format(destination)]
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l_string += ["build {0}: build_symlink {1}".format(destination,
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source)]
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l_string += [""]
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out = "l_symlink_{0}".format(path_module.rel)
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dep = " ".join(l_destination)
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l_string += ["build {0} : phony {1}".format(out, dep)]
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l_string += [""]
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return l_string
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@ -209,6 +280,34 @@ def ninja_symlink_build(l_source, l_destination):
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# o ._ ._ _|_ (_| / \ ._ _ _. | _
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# | | |_) | | \_/ o | | | (_| |< (/_
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# |
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def dict_needed_modules(l_module_to_compile):
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d = dict()
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for module_rel in l_module_to_compile:
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module_abs = join(qpackage_root_src, module_rel)
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path_neeeded_module = join(module_abs, "NEEDED_CHILDREN_MODULES")
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d[Path(module_abs, module_rel)] = [Path(join(qpackage_root_src, m_children), m_children) for m_children in module_genealogy(path_neeeded_module)]
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return d
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def get_irp_dependancy(d_info_module):
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l_all_module = [m for m in d_info_module.keys()]
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for l_m_children in d_info_module.values():
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for m_children in l_m_children:
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if m_children not in l_all_module:
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l_all_module.append(m_children)
|
||||
|
||||
d_irp = dict()
|
||||
for module in l_all_module:
|
||||
d_irp[module.rel] = get_l_irp_for_module(module.abs)
|
||||
|
||||
return d_irp
|
||||
|
||||
|
||||
def ninja_irpf90_make_rule():
|
||||
# Rule
|
||||
l_string = ["pool irp_pool"]
|
||||
|
|
@ -223,15 +322,28 @@ def ninja_irpf90_make_rule():
|
|||
return l_string
|
||||
|
||||
|
||||
def ninja_irpf90_make_build(path_module,
|
||||
l_all_needed_molule_include,
|
||||
l_irp,
|
||||
l_destination):
|
||||
def ninja_create_l_irp_build(d_irp):
|
||||
|
||||
l_string = []
|
||||
for m, l_irp in d_irp.iteritems():
|
||||
|
||||
dep = " ".join(l_irp)
|
||||
l_string += ["build l_irp_{0}: phony {1}".format(m, dep)]
|
||||
l_string += [""]
|
||||
|
||||
return l_string
|
||||
|
||||
|
||||
def ninja_irpf90_make_build(l_all_needed_molule,
|
||||
path_module):
|
||||
|
||||
path_irpf90_make = join(path_module.abs, "irpf90.make")
|
||||
str_l_irp_need = " ".join(l_irp)
|
||||
str_l_destination = " ".join(l_destination)
|
||||
|
||||
l_irp_need = ["l_irp_{0}".format(i.rel) for i in l_all_needed_molule]
|
||||
str_l_irp_need = " ".join(l_irp_need)
|
||||
|
||||
path_makefiledepend = join(path_module.abs, "Makefile.depend")
|
||||
str_l_destination = "l_symlink_{0}".format(path_module.rel)
|
||||
|
||||
str_depend = "{0} {1} {2}".format(str_l_irp_need,
|
||||
path_makefiledepend,
|
||||
|
|
@ -243,8 +355,8 @@ def ninja_irpf90_make_build(path_module,
|
|||
l_string += [" module = {0}".format(path_module.abs)]
|
||||
|
||||
# Option
|
||||
str_include_dir = " ".join(["-I {0}".format(m)
|
||||
for m in l_all_needed_molule_include])
|
||||
str_include_dir = " ".join(["-I {0}".format(m.rel)
|
||||
for m in l_all_needed_molule])
|
||||
|
||||
l_string += [" include_dir = {0}".format(str_include_dir)]
|
||||
l_string += [" irpf90_flag = {0}".format("--align=32 --openmp")]
|
||||
|
|
@ -253,6 +365,89 @@ def ninja_irpf90_make_build(path_module,
|
|||
return l_string
|
||||
|
||||
|
||||
# _
|
||||
# / \ _ _. ._ _ |
|
||||
# \_/ (_ (_| | | | |
|
||||
|
||||
def get_qp_file():
|
||||
qp_edit = join(qpackage_root_ocaml, "qp_edit.ml")
|
||||
l = glob.glob(join(qpackage_root_ocaml, "qp_*.ml"))
|
||||
|
||||
if qp_edit not in l:
|
||||
l.append(qp_edit)
|
||||
return l
|
||||
|
||||
|
||||
def get_ml_file(l_util, l_qp):
|
||||
"""
|
||||
Get all the ml file
|
||||
Remove the binary
|
||||
"""
|
||||
ezfio_ml = join(qpackage_root_ocaml, "ezfio.ml")
|
||||
|
||||
l_ml_auto_generated = [i.ez_ocaml.abs for i in l_util.itervalues() if i.ez_ocaml] + [ezfio_ml]
|
||||
|
||||
# .ml present
|
||||
l_ml_present = glob.glob("{0}/*.ml".format(qpackage_root_ocaml))
|
||||
l_ml = list(set(l_ml_present + l_ml_auto_generated))
|
||||
|
||||
# Return all the .ml who are not ocaml_binary
|
||||
return [ml for ml in l_ml if ml not in l_qp]
|
||||
|
||||
|
||||
def ninja_ocaml_rule():
|
||||
# Rule
|
||||
cmd = " command = cd {0} ; make -j 1 $binary ; touch $binary; cd -"
|
||||
|
||||
l_string = ["rule build_ocaml"]
|
||||
l_string += [cmd.format(qpackage_root_ocaml)]
|
||||
l_string += [""]
|
||||
|
||||
l_string += ["rule cp_input.ml"]
|
||||
l_string += [" command = cp $in $out"]
|
||||
l_string += [""]
|
||||
|
||||
l_string += ["rule build_qp_edit.ml"]
|
||||
l_string += [" command = ei_handler.py ocaml_global"]
|
||||
l_string += [""]
|
||||
|
||||
return l_string
|
||||
|
||||
|
||||
def ninja_ml_build(l_util):
|
||||
|
||||
source = join(qpackage_root_ezfio, "Ocaml", "ezfio.ml")
|
||||
dest = join(qpackage_root_ocaml, "ezfio.ml")
|
||||
|
||||
l_string = ["build {0}: cp_input.ml {1}".format(dest, source)]
|
||||
l_string += [""]
|
||||
|
||||
ocaml_ml = [join(qpackage_root_ocaml, i) for i in ["qp_edit.ml", "Input_auto_generated.ml"]]
|
||||
ocaml_ml_str = " ".join(ocaml_ml)
|
||||
|
||||
qp_edit_template = join(qpackage_root, "scripts", "ezfio_interface", "qp_edit_template")
|
||||
l_depend = [i.ez_ocaml.abs for i in l_util.itervalues() if i.ez_ocaml] + [qp_edit_template]
|
||||
|
||||
depend_str = " ".join(l_depend)
|
||||
l_string = ["build {0}: build_qp_edit.ml {1}".format(ocaml_ml_str, depend_str)]
|
||||
return l_string
|
||||
|
||||
|
||||
def ninja_ocaml_build(l_bin_ml, l_ml):
|
||||
|
||||
# Rule
|
||||
l_string = [""]
|
||||
str_depend = " ".join(l_ml + l_bin_ml)
|
||||
|
||||
for bin_ in [i.replace(".ml", ".native") for i in l_bin_ml]:
|
||||
binary_name = os.path.split(bin_)[1]
|
||||
l_string += ["build {0}: build_ocaml {1}".format(bin_, str_depend)]
|
||||
l_string += [" binary = {0}".format(binary_name)]
|
||||
l_string += [""]
|
||||
|
||||
return l_string
|
||||
|
||||
|
||||
# _
|
||||
# |_) o ._ _. ._
|
||||
# |_) | | | (_| | \/
|
||||
|
|
@ -271,7 +466,6 @@ def get_program(path_module):
|
|||
|
||||
|
||||
def ninja_binary_rule():
|
||||
|
||||
# Rule
|
||||
l_string = ["rule build_binary"]
|
||||
l_string += [" command = cd $module ; make -j 1 $binary ; touch $binary; cd -"]
|
||||
|
|
@ -284,21 +478,22 @@ def ninja_binary_build(l_bin, path_module):
|
|||
|
||||
# Build
|
||||
irpf90mk_path = join(path_module.abs, "irpf90.make")
|
||||
ezfio_lib = join(qpackage_root, "EZFIO", "lib", "libezfio.a")
|
||||
|
||||
l_string = []
|
||||
|
||||
l_abs_bin = [join(path_module.abs, binary) for binary in l_bin]
|
||||
|
||||
l_string = []
|
||||
for path, abs_path in zip(l_bin, l_abs_bin):
|
||||
l_string += ["build {0}: build_binary {1} {2}".format(abs_path,
|
||||
ezfio_lib,
|
||||
irpf90mk_path)]
|
||||
|
||||
l_string += [" module = {0}".format(path_module.abs)]
|
||||
l_string += [" binary = {0}".format(path)]
|
||||
|
||||
l_string += [""]
|
||||
|
||||
str_l_abs_bin = " ".join(l_abs_bin)
|
||||
ocaml_bin = [join(qpackage_root_ocaml, i) for i in ["qp_run.native", "qp_edit.native"]]
|
||||
str_l_abs_bin = " ".join(l_abs_bin + ocaml_bin)
|
||||
|
||||
l_string += ["build build_all_binary_{0}: phony {1}".format(path_module.rel,
|
||||
str_l_abs_bin)]
|
||||
|
|
@ -316,68 +511,71 @@ def ninja_all_binary_build(l_module):
|
|||
|
||||
return l_string
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
|
||||
with open(join(qpackage_root_src, "NEEDED_MODULES"), "r") as f:
|
||||
l_module_to_compile = f.read().split()
|
||||
|
||||
# _
|
||||
# |_) | _
|
||||
# | \ |_| | (/_
|
||||
#
|
||||
l_string = ninja_makefile_depend_rule()
|
||||
l_string += ninja_ezfio_cfg_rule()
|
||||
|
||||
l_string += ninja_symlink_rule()
|
||||
|
||||
l_string += ninja_irpf90_make_rule()
|
||||
|
||||
l_string += ninja_binary_rule()
|
||||
l_string += ninja_ezfio_interface_config_rule()
|
||||
|
||||
l_string += ninja_ezfio_config_rule()
|
||||
l_string += ninja_ezfio_rule()
|
||||
|
||||
from collections import namedtuple
|
||||
|
||||
# l_module_to_compile = ["AOs", "CAS_SD", "Hartree_Fock"]
|
||||
|
||||
for module_to_consider in l_module_to_compile:
|
||||
|
||||
Path = namedtuple('Path', ['abs', 'rel'])
|
||||
|
||||
path_module = Path(join(qpackage_root_src, module_to_consider),
|
||||
module_to_consider)
|
||||
|
||||
path_neeeded_module = join(path_module.abs, "NEEDED_CHILDREN_MODULES")
|
||||
l_all_needed_molule = module_genealogy(path_neeeded_module)
|
||||
|
||||
# Make.depend rule and build
|
||||
l_string += ninja_makefile_depend_build(l_all_needed_molule, path_module)
|
||||
|
||||
# EZFIO.cfg rule and build
|
||||
l_irp = get_l_ezfio_irp(l_all_needed_molule, path_module)
|
||||
|
||||
# Symlink rule and build
|
||||
l_source, l_destination = get_source_destination(l_all_needed_molule,
|
||||
path_module)
|
||||
|
||||
l_string += ninja_symlink_build(l_source, l_destination)
|
||||
|
||||
# irpf90.make
|
||||
l_string += ninja_irpf90_make_build(path_module,
|
||||
l_all_needed_molule + ["include"],
|
||||
l_irp,
|
||||
l_destination)
|
||||
# ninja_binary
|
||||
l_binary = get_program(path_module)
|
||||
l_string += ninja_binary_build(l_binary, path_module)
|
||||
|
||||
l_module = get_module_with_ezfio_cfg()
|
||||
|
||||
l_string += ninja_ezfio_cfg_build(l_module)
|
||||
l_string += ninja_ocaml_rule()
|
||||
|
||||
# _
|
||||
# |_) o | _| _ _ ._ _ ._ _. |
|
||||
# |_) |_| | | (_| (_| (/_ | | (/_ | (_| |
|
||||
# _|
|
||||
l_module_with_ezfio_cfg = get_l_module_with_ezfio_cfg()
|
||||
l_util = get_children_of_ezfio_cfg(l_module_with_ezfio_cfg)
|
||||
l_ezfio_config = get_ezfio_config()
|
||||
|
||||
l_string_dump, l_file_create = ninja_ezfio_config_build(l_module_with_ezfio_cfg=l_module,
|
||||
l_ezfio_config=l_ezfio_config)
|
||||
l_string += l_string_dump
|
||||
l_string += ninja_ezfio_cfg_build(l_util)
|
||||
l_string += ninja_ezfio_config_build(l_ezfio_config)
|
||||
l_string += ninja_ezfio_build(l_ezfio_config, l_util)
|
||||
|
||||
l_qp = get_qp_file()
|
||||
l_ml = get_ml_file(l_util, l_qp)
|
||||
|
||||
l_string += ninja_ml_build(l_util)
|
||||
l_string += ninja_ocaml_build(l_qp, l_ml)
|
||||
|
||||
# _ _
|
||||
# |_) o | _| _|_ _ ._ ._ _ _ _| | _
|
||||
# |_) |_| | | (_| | (_) | | | | (_) (_| |_| | (/_
|
||||
#
|
||||
#
|
||||
with open(join(qpackage_root_src, "NEEDED_MODULES"), "r") as f:
|
||||
l_module_to_compile = f.read().split()
|
||||
|
||||
d_info_module = dict_needed_modules(l_module_to_compile)
|
||||
|
||||
d_irp = get_irp_dependancy(d_info_module)
|
||||
l_string += ninja_create_l_irp_build(d_irp)
|
||||
|
||||
for module, l_children in d_info_module.iteritems():
|
||||
|
||||
l_source, l_destination = get_source_destination(l_children, module)
|
||||
|
||||
l_string += ninja_makefile_depend_build(l_children, module)
|
||||
|
||||
# irpf90.make
|
||||
l_string += ninja_symlink_build(l_source, l_destination, module)
|
||||
|
||||
l_string += ninja_irpf90_make_build(l_children, module)
|
||||
|
||||
# ninja_binary
|
||||
l_binary = get_program(module)
|
||||
l_string += ninja_binary_build(l_binary, module)
|
||||
|
||||
l_string += ninja_all_binary_build(l_module_to_compile)
|
||||
|
||||
l_string += ninja_ezfio_build(l_file_create)
|
||||
|
||||
print "\n".join(l_string)
|
||||
|
|
|
|||
|
|
@ -16,7 +16,6 @@ By default all the option are executed.
|
|||
|
||||
Options:
|
||||
-h --help
|
||||
--recursif Folow the dependancy of the module
|
||||
--irpf90 Create the `ezfio_interface.irpf90`
|
||||
which contains all the providers needed
|
||||
(aka all with the `interface: input` parameter)
|
||||
|
|
@ -437,6 +436,7 @@ def create_ezfio_stuff(dict_ezfio_cfg, config_or_default="config"):
|
|||
raise KeyError
|
||||
# Append
|
||||
result.append(s)
|
||||
result.append("\n")
|
||||
|
||||
return "\n".join(result)
|
||||
|
||||
|
|
@ -500,6 +500,7 @@ def create_ocaml_input(dict_ezfio_cfg, module_lower):
|
|||
if not l_ezfio_name:
|
||||
raise ValueError
|
||||
|
||||
|
||||
e_glob = EZFIO_ocaml(l_ezfio_name=l_ezfio_name,
|
||||
l_type=l_type,
|
||||
l_doc=l_doc)
|
||||
|
|
@ -586,7 +587,7 @@ def save_ocaml_input(module_lower, str_ocaml_input):
|
|||
f.write(str_ocaml_input)
|
||||
|
||||
|
||||
def get_l_module_lower():
|
||||
def get_l_module_with_auto_generate_ocaml_lower():
|
||||
"""
|
||||
Get all module who have EZFIO.cfg with input data
|
||||
(NB `search` in all the ligne and `match` only in one)
|
||||
|
|
@ -626,18 +627,11 @@ def get_l_module_lower():
|
|||
return l_module_lower
|
||||
|
||||
|
||||
def create_ocaml_input_global():
|
||||
def create_ocaml_input_global(l_module_with_auto_generate_ocaml_lower):
|
||||
"""
|
||||
Check for all the EZFIO.cfg get the module lower
|
||||
then create incule {module_lower}.ml
|
||||
Create the Input_auto_generated.ml and qp_edit.ml str
|
||||
"""
|
||||
|
||||
# ~#~#~#~# #
|
||||
# I n i t #
|
||||
# ~#~#~#~# #
|
||||
|
||||
l_module_lower = get_l_module_lower()
|
||||
|
||||
# ~#~#~#~#~#~#~#~# #
|
||||
# C r e a t i o n #
|
||||
# ~#~#~#~#~#~#~#~# #
|
||||
|
|
@ -650,7 +644,7 @@ def create_ocaml_input_global():
|
|||
with open(path, "r") as f:
|
||||
template_raw = f.read()
|
||||
|
||||
e = EZFIO_ocaml(l_module_lower=l_module_lower)
|
||||
e = EZFIO_ocaml(l_module_lower=l_module_with_auto_generate_ocaml_lower)
|
||||
|
||||
template = template_raw.format(keywords=e.create_qp_keywords(),
|
||||
keywords_to_string=e.create_qp_keywords_to_string(),
|
||||
|
|
@ -671,9 +665,8 @@ def save_ocaml_input_auto(str_ocaml_input_global):
|
|||
|
||||
path = "{0}/ocaml/Input_auto_generated.ml".format(os.environ['QPACKAGE_ROOT'])
|
||||
|
||||
if str_ocaml_input_global != old_output:
|
||||
with open(path, "w+") as f:
|
||||
f.write(str_ocaml_input_global)
|
||||
with open(path, "w+") as f:
|
||||
f.write(str_ocaml_input_global)
|
||||
|
||||
|
||||
def save_ocaml_qp_edit(str_ocaml_qp_edit):
|
||||
|
|
@ -684,9 +677,8 @@ def save_ocaml_qp_edit(str_ocaml_qp_edit):
|
|||
|
||||
path = "{0}/ocaml/qp_edit.ml".format(os.environ['QPACKAGE_ROOT'])
|
||||
|
||||
if str_ocaml_qp_edit != old_output:
|
||||
with open(path, "w+") as f:
|
||||
f.write(str_ocaml_qp_edit)
|
||||
with open(path, "w+") as f:
|
||||
f.write(str_ocaml_qp_edit)
|
||||
|
||||
|
||||
def code_generation(arguments, dict_ezfio_cfg, m):
|
||||
|
|
@ -750,7 +742,14 @@ if __name__ == "__main__":
|
|||
#
|
||||
|
||||
if arguments["ocaml_global"]:
|
||||
str_ocaml_qp_edit, str_ocaml_input_auto = create_ocaml_input_global()
|
||||
|
||||
# ~#~#~#~# #
|
||||
# I n i t #
|
||||
# ~#~#~#~# #
|
||||
|
||||
l_module = get_l_module_with_auto_generate_ocaml_lower()
|
||||
|
||||
str_ocaml_qp_edit, str_ocaml_input_auto = create_ocaml_input_global(l_module)
|
||||
save_ocaml_input_auto(str_ocaml_input_auto)
|
||||
save_ocaml_qp_edit(str_ocaml_qp_edit)
|
||||
sys.exit(0)
|
||||
|
|
|
|||
|
|
@ -348,6 +348,7 @@ class EZFIO_ocaml(object):
|
|||
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
|
||||
# C r e a t e _ t e m pl a t e #
|
||||
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
|
||||
l_template = ["(* Auto generate. Do not modify by Hand *)"]
|
||||
|
||||
l_template = ['open Qputils;;',
|
||||
'open Qptypes;;',
|
||||
|
|
|
|||
|
|
@ -82,8 +82,7 @@ def get_it_and_children(l_module):
|
|||
try:
|
||||
l.extend(get_it_and_children(d_ref[module]))
|
||||
except KeyError:
|
||||
print >> sys.stderr, "`{0}` in not a good submodule name".format(
|
||||
module)
|
||||
print >> sys.stderr, "`{0}` in not a good submodule name".format(module)
|
||||
print >> sys.stderr, "Check the corresponding NEEDED_CHILDREN_MODULES"
|
||||
sys.exit(1)
|
||||
|
||||
|
|
|
|||
|
|
@ -9,7 +9,7 @@ double precision function ao_bielec_integral(i,j,k,l)
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|||
double precision :: I_center(3),J_center(3),K_center(3),L_center(3)
|
||||
integer :: num_i,num_j,num_k,num_l,dim1,I_power(3),J_power(3),K_power(3),L_power(3)
|
||||
double precision :: integral
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
double precision :: P_new(0:max_dim,3),P_center(3),fact_p,pp
|
||||
double precision :: Q_new(0:max_dim,3),Q_center(3),fact_q,qq
|
||||
integer :: iorder_p(3), iorder_q(3)
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||||
|
|
@ -115,7 +115,7 @@ double precision function ao_bielec_integral_schwartz_accel(i,j,k,l)
|
|||
double precision :: I_center(3),J_center(3),K_center(3),L_center(3)
|
||||
integer :: num_i,num_j,num_k,num_l,dim1,I_power(3),J_power(3),K_power(3),L_power(3)
|
||||
double precision :: integral
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
double precision :: P_new(0:max_dim,3),P_center(3),fact_p,pp
|
||||
double precision :: Q_new(0:max_dim,3),Q_center(3),fact_q,qq
|
||||
integer :: iorder_p(3), iorder_q(3)
|
||||
|
|
|
|||
|
|
@ -1,5 +1,5 @@
|
|||
# Define here all new external source files and objects.Don't forget to prefix the
|
||||
# object files with IRPF90_temp/
|
||||
# object files with IRPF90_temp/constants.F
|
||||
SRC=map_module.f90
|
||||
OBJ=IRPF90_temp/map_module.o
|
||||
|
||||
|
|
|
|||
|
|
@ -415,7 +415,7 @@ double precision function F_integral(n,p)
|
|||
double precision :: p
|
||||
integer :: i,j
|
||||
double precision :: accu,sqrt_p,fact_ratio,tmp,fact
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
if(n < 0)then
|
||||
F_integral = 0.d0
|
||||
endif
|
||||
|
|
@ -441,7 +441,7 @@ double precision function rint(n,rho)
|
|||
! \int_0^1 dx \exp(-p x^2) x^n
|
||||
!
|
||||
END_DOC
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
double precision :: rho,u,rint1,v,val0,rint_large_n,u_inv
|
||||
integer :: n,k
|
||||
double precision :: two_rho_inv
|
||||
|
|
@ -486,7 +486,7 @@ double precision function rint_sum(n_pt_out,rho,d1)
|
|||
BEGIN_DOC
|
||||
! Needed for the calculation of two-electron integrals.
|
||||
END_DOC
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
integer, intent(in) :: n_pt_out
|
||||
double precision, intent(in) :: rho,d1(0:n_pt_out)
|
||||
double precision :: u,rint1,v,val0,rint_large_n,u_inv
|
||||
|
|
|
|||
|
|
@ -6,7 +6,7 @@ double precision function overlap_gaussian_x(A_center,B_center,alpha,beta,power_
|
|||
! \sum_{-infty}^{+infty} (x-A_x)^ax (x-B_x)^bx exp(-alpha(x-A_x)^2) exp(-beta(x-B_X)^2) dx
|
||||
!
|
||||
END_DOC
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
integer,intent(in) :: dim ! dimension maximum for the arrays representing the polynomials
|
||||
double precision,intent(in) :: A_center,B_center ! center of the x1 functions
|
||||
integer,intent(in) :: power_A, power_B ! power of the x1 functions
|
||||
|
|
@ -120,7 +120,7 @@ subroutine overlap_gaussian_xyz(A_center,B_center,alpha,beta,power_A,&
|
|||
! S = S_x S_y S_z
|
||||
!
|
||||
END_DOC
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
integer,intent(in) :: dim ! dimension maximum for the arrays representing the polynomials
|
||||
double precision,intent(in) :: A_center(3),B_center(3) ! center of the x1 functions
|
||||
double precision, intent(in) :: alpha,beta
|
||||
|
|
|
|||
|
|
@ -51,7 +51,7 @@ integer function align_double(n)
|
|||
! Compute 1st dimension such that it is aligned for vectorization.
|
||||
END_DOC
|
||||
integer :: n
|
||||
include 'include/constants.F'
|
||||
include 'constants.F'
|
||||
if (mod(n,SIMD_vector/4) /= 0) then
|
||||
align_double= n + SIMD_vector/4 - mod(n,SIMD_vector/4)
|
||||
else
|
||||
|
|
|
|||
|
|
@ -1,10 +0,0 @@
|
|||
integer, parameter :: max_dim = 255
|
||||
integer, parameter :: SIMD_vector = 32
|
||||
|
||||
double precision, parameter :: pi = dacos(-1.d0)
|
||||
double precision, parameter :: sqpi = dsqrt(dacos(-1.d0))
|
||||
double precision, parameter :: pi_5_2 = 34.9868366552d0
|
||||
double precision, parameter :: dfour_pi = 4.d0*dacos(-1.d0)
|
||||
double precision, parameter :: dtwo_pi = 2.d0*dacos(-1.d0)
|
||||
double precision, parameter :: inv_sq_pi = 1.d0/dsqrt(dacos(-1.d0))
|
||||
double precision, parameter :: inv_sq_pi_2 = 0.5d0/dsqrt(dacos(-1.d0))
|
||||
Loading…
Reference in New Issue
Block a user