mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 04:43:50 +01:00
New Working (maybe?) makefile
This commit is contained in:
Thomas Applencourt
parent
6e182577e3
commit
538dfff980
@ -5,13 +5,14 @@ Welcom the ei_handler.
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We will create all the ezfio related stuff from a EZFIO.cfg file.
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Usage:
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ei_handler.py [--path] [--irpf90] [--ezfio_config] [--ocaml] [--ezfio_default] [--global]
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ei_handler.py [--recursif] [--irpf90] [--ezfio_config] [--ocaml] [--ezfio_default]
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ei_handler.py ocaml_global
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By default all the option are executed.
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Options:
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-h --help
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--path The path of the `EZFIO.cfg`, by default will look in the ${pwd}
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--recursif Folow the dependancy of the module
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--irpf90 Create the `ezfio_interface.irpf90`
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which contains all the providers needed
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(aka all with the `interface: input` parameter)
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@ -23,7 +24,7 @@ Options:
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--ezfio_default Create the `${module_lower}_ezfio_interface_default` in
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`${QPACKAGE_ROOT}/data/ezfio_defaults` needed by
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the ocaml
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--global Create all the stuff who need all the EZFIO.cfg
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ocaml_global Create the qp_edit
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Format specification :
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[provider_name] | the name of the provider in irp.f90
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@ -62,9 +63,12 @@ import ConfigParser
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from collections import defaultdict
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from collections import namedtuple
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from cache import cache
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from os import listdir
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from os.path import isdir, join, exists, islink
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Type = namedtuple('Type', 'fancy ocaml fortran')
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@ -632,9 +636,6 @@ def get_l_module_lower():
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# L _ f o l d e r #
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# ~#~#~#~#~#~#~#~ #
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from os import listdir
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from os.path import isdir, join, exists
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l_folder = [f for f in listdir(mypath) if isdir(join(mypath, f))]
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# ~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
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@ -738,42 +739,10 @@ def save_ocaml_qp_edit(str_ocaml_qp_edit):
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f.write(str_ocaml_qp_edit)
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if __name__ == "__main__":
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arguments = docopt(__doc__)
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# ___
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# | ._ o _|_
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# _|_ | | | |_
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#
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def code_generation(arguments, dict_ezfio_cfg, m):
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if not arguments["--global"]:
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if not arguments["--path"]:
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config_file_path = "EZFIO.cfg"
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if "EZFIO.cfg" not in os.listdir(os.getcwd()):
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sys.exit(0)
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else:
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config_file_path = arguments["path"]
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# Get the full path
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config_file_path = os.path.expanduser(config_file_path)
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config_file_path = os.path.expandvars(config_file_path)
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config_file_path = os.path.abspath(config_file_path)
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# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
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# G e t _ m o d u l e _ d i r #
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# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
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path_dirname = os.path.dirname(config_file_path)
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module = [i for i in path_dirname.split("/") if i][-1]
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module_lower = module.lower()
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# Because we only authorise this right now!
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ezfio_dir = module_lower
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dict_ezfio_cfg = get_dict_config_file(config_file_path, ezfio_dir)
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# _
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# / _ _| _ _ _ ._ _ ._ _. _|_ o _ ._
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# \_ (_) (_| (/_ (_| (/_ | | (/_ | (_| |_ | (_) | |
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# _|
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module_lower = m.lower
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path_dirname = m.path.replace("/EZFIO.cfg", "")
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# ~#~#~#~#~#~#~#~#~#~ #
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# W h a t _ t o _ d o #
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@ -822,11 +791,61 @@ if __name__ == "__main__":
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str_ezfio_default = create_ezfio_default(dict_ezfio_cfg)
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save_ezfio_default(module_lower, str_ezfio_default)
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# ~#~#~#~#~#~#~#~#~#~#~#~#~ #
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# e z f i o _ d e f a u l t #
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# ~#~#~#~#~#~#~#~#~#~#~#~#~ #
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if do_all:
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if __name__ == "__main__":
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arguments = docopt(__doc__)
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# ___
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# | ._ o _|_
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# _|_ | | | |_
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#
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if arguments["ocaml_global"]:
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str_ocaml_qp_edit, str_ocaml_input_auto = create_ocaml_input_global()
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save_ocaml_input_auto(str_ocaml_input_auto)
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save_ocaml_qp_edit(str_ocaml_qp_edit)
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sys.exit(0)
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# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
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# G e t _ m o d u l e _ d i r #
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# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
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path_dirname = os.getcwd()
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root_module = [i for i in path_dirname.split("/") if i][-1]
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# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
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# G e t _ l _ d i c t _ e z f i o _ c f g #
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# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
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if arguments["--recursif"]:
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def true_link(f):
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return islink(join(path_dirname, f))
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l_symlink = [f for f in listdir(path_dirname) if true_link(f)]
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else:
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l_symlink = []
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l_module = [root_module] + l_symlink
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def check_ezfio(f):
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return exists()
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qpackage_root_src = join(os.environ['QPACKAGE_ROOT'], "src")
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l_module_with_ezfio = []
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Module = namedtuple('Module', 'path lower')
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for f in l_module:
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path = join(qpackage_root_src, f, "EZFIO.cfg")
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if exists(path):
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l_module_with_ezfio.append(Module(path, f.lower()))
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l_dict_ezfio_cfg = [(get_dict_config_file(m.path, m.lower), m) for m in l_module_with_ezfio]
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# _
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# / _ _| _ _ _ ._ _ ._ _. _|_ o _ ._
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# \_ (_) (_| (/_ (_| (/_ | | (/_ | (_| |_ | (_) | |
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# _|
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for (dict_ezfio_cfg, m) in l_dict_ezfio_cfg:
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code_generation(arguments, dict_ezfio_cfg, m)
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@ -9,7 +9,7 @@ echo "=-=-=-=-=-=-=-=-=-=-=-"
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for dir in ${QPACKAGE_ROOT}/src/*/
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do
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cd $dir || exit -1
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${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py
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${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py --ezfio_config --ezfio_default
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done
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# For old-style directories. Will be removed some day...
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@ -18,15 +18,6 @@ do
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cd ${MODULE}
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echo ${MODULE}
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# Update Makefile.depend
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${QPACKAGE_ROOT}/scripts/module/check_module.sh
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# Update EZFIO interface (create the irp.f90 and the ocaml)
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${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py --irpf90 --ocaml
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# Create symlink
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${QPACKAGE_ROOT}/scripts/module/module_handler.py create_symlick
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if [[ $# -eq 1 ]]
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then
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env make -j ${NPROC} all
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@ -40,14 +31,6 @@ Build failed for module $MODULE
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"
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fi
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fi
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# Create gitignore
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${QPACKAGE_ROOT}/scripts/module/create_gitignore.sh
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# Create png
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${QPACKAGE_ROOT}/scripts/module/module_handler.py create_png
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# Create png
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${QPACKAGE_ROOT}/scripts/module/update_README.py
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cd ${OLDPWD}
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done
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@ -9,7 +9,7 @@ of a NEEDED_CHILDREN_MODULES file
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Usage:
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module_handler.py print_genealogy [<NEEDED_CHILDREN_MODULES>]
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module_handler.py save_makefile_depend
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module_handler.py create_symlick [<NEEDED_CHILDREN_MODULES>]
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module_handler.py create_symlink [<NEEDED_CHILDREN_MODULES>]
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module_handler.py create_png [<NEEDED_CHILDREN_MODULES>]
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Options:
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@ -249,7 +249,7 @@ if __name__ == '__main__':
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get_list_depend(l_all_needed_molule)
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if arguments['create_symlick']:
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if arguments['create_symlink']:
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src = os.getcwd()
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for link_name in module_genealogy(path) + ["include"]:
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@ -17,7 +17,7 @@ import subprocess
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header = """
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.. Do not edit this section. It was auto-generated from the
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.. NEEDED_MODULES file.
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.. update_README.py.
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"""
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@ -74,7 +74,7 @@ def update_assumptions(data):
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def update_needed(data):
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"""Read the NEEDED_MODULES file, and replace the data with it.
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"""Read the NEEDED_CHILDREN_MODULES file, and replace the data with it.
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Create the links to the GitHub pages."""
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file = open('NEEDED_CHILDREN_MODULES', 'r')
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@ -24,11 +24,16 @@ function check_current_dir_is_src()
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function check_current_dir_is_module()
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{
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if [[ "$(dirname $PWD)" == "${QPACKAGE_ROOT}/src" ]]
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# If the prefix ${QPACKAGE_ROOT}/src/ can be removed from $PWD, it means that
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# $PWD is somewhere below ${QPACKAGE_ROOT}/src/ so it is a module.
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# If the prefix ${QPACKAGE_ROOT}/src/ can not be removed from $PWD, then
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# "${PWD##${QPACKAGE_ROOT}/src/}" == "$PWD".
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if [[ "${PWD##${QPACKAGE_ROOT}/src/}" != "$PWD" ]]
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then
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return 0
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else
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echo "Current directory should be \$QPACKAGE_ROOT/src"
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echo "You are not in a submodule"
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exit -1
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fi
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}
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@ -8,7 +8,7 @@ Needed Modules
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==============
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.. Do not edit this section. It was auto-generated from the
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.. NEEDED_MODULES file.
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.. update_README.py.
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.. image:: tree_dependancy.png
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@ -19,7 +19,7 @@ Documentation
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=============
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.. Do not edit this section. It was auto-generated from the
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.. NEEDED_MODULES file.
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.. update_README.py.
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`ao_bi_elec_integral_alpha <http://github.com/LCPQ/quantum_package/tree/master/src/Hartree_Fock/Fock_matrix.irp.f#L102>`_
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Alpha Fock matrix in AO basis set
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@ -1,17 +1,5 @@
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.PHONY: default silent
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ifneq ($(IN_MAKE),1)
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default:
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@$(MAKE) -C $(QPACKAGE_ROOT)/src $$(basename $(PWD))
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veryclean:
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clean_modules.sh
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clean:
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IN_MAKE=1 make clean
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else # Called by scripts/build_module.sh
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.PHONY: default
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.SECONDARY: symlink ezfio_interface
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default: all .gitignore
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@ -21,9 +9,6 @@ include $(QPACKAGE_ROOT)/src/Makefile.config
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# Create the NEEDED_CHILDREN_MODULES variable, needed for IRPF90
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NEEDED_CHILDREN_MODULES=$(shell module_handler.py print_genealogy)
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# Check and update dependencies
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include Makefile.depend
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# Define the Makefile common variables
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EZFIO_DIR=$(QPACKAGE_ROOT)/EZFIO
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EZFIO=$(EZFIO_DIR)/lib/libezfio_irp.a
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@ -36,21 +21,47 @@ LIB+=$(EZFIO) $(MKL)
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IRPF90+=$(patsubst %, -I %, $(INCLUDE_DIRS)) $(IRPF90_FLAGS)
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# Update Makefile.depend
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Makefile.depend: $(wildcart */Makefile)
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Makefile.depend: $(wildcard */Makefile)
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${QPACKAGE_ROOT}/scripts/module/module_handler.py save_makefile_depend
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irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile.depend Makefile $(EZFIO) NEEDED_CHILDREN_MODULES $(wildcard *.py)
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- $(IRPF90)
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- update_README.py
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# Check and update dependencies
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include Makefile.depend
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# Create symlink
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symlink: $(wildcard $(QPACKAGE_ROOT)/src/*/NEEDED_CHILDREN_MODULES)
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${QPACKAGE_ROOT}/scripts/module/module_handler.py create_symlink
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# Define the EZFIO rules
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$(EZFIO): $(wildcard $(QPACKAGE_ROOT)/src/*/*.ezfio_config) $(wildcard $(QPACKAGE_ROOT)/src/*/EZFIO.cfg)
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$(QPACKAGE_ROOT)/scripts/ezfio_interface/prepare_ezfio.sh
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cd $(EZFIO_DIR);\
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export FC="$(FC)" ; export FCFLAGS="$(FCFLAGS)" ; export IRPF90="$(IRPF90)" ;\
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$(MAKE) ;\
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$(MAKE) Python
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# Update EZFIO interface (create the irp.f90 and the ocaml)
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ezfio_interface: symlink $(wildcard $(QPACKAGE_ROOT)/src/*/EZFIO.cfg)
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${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py --irpf90 --ocaml --recursif
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irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard .inc.f) Makefile.depend Makefile $(EZFIO) $(wildcard *.py) symlink ezfio_interface
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$(IRPF90)
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include irpf90.make
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endif
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# Need NEEDED_CHILDREN_MODULES and IRPMAN
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README.rst: NEEDED_CHILDREN_MODULES irpf90.make
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${QPACKAGE_ROOT}/scripts/module/update_README.py
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.gitignore:
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$(QPACKAGE_ROOT)/scripts/create/create_gitignore.sh
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tree_dependancy.png: NEEDED_CHILDREN_MODULES
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${QPACKAGE_ROOT}/scripts/module/module_handler.py create_png
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# Frequent typos
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clena: clean
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veryclena: veryclean
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vercylean: veryclean
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#Need all the executable
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.gitignore: irpf90.make
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${QPACKAGE_ROOT}/scripts/module/create_gitignore.sh
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#
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#
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# # Frequent typos
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# clena: clean
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# veryclena: roger
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# vercylean: roger
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