From b97e337f4bedb1a5189b38f18ead91f7d2ba4535 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Tue, 28 Jul 2015 16:45:45 +0200 Subject: [PATCH] Refortorisation of update_readme --- plugins/Full_CI/.gitignore | 1 - plugins/Full_CI/README.rst | 26 ++-- plugins/Generators_full/README.rst | 24 +-- plugins/Hartree_Fock/README.rst | 4 +- plugins/Perturbation/README.rst | 24 +-- plugins/Properties/README.rst | 22 +-- plugins/Selectors_full/README.rst | 24 +-- scripts/compilation/qp_create_ninja.py | 28 ++-- scripts/module/module_handler.py | 2 - scripts/module/qp_update_readme.py | 196 +++++++++++++++++++++++++ scripts/module/update_README.py | 188 ------------------------ src/AO_Basis/README.rst | 4 +- src/Bitmask/README.rst | 4 +- src/Determinants/README.rst | 4 +- src/Electrons/README.rst | 4 +- src/Integrals_Bielec/README.rst | 4 +- src/Integrals_Monoelec/README.rst | 4 +- src/MOGuess/README.rst | 4 +- src/MO_Basis/README.rst | 4 +- src/Nuclei/README.rst | 4 +- src/Pseudo/README.rst | 4 +- src/Utils/README.rst | 3 +- 22 files changed, 291 insertions(+), 291 deletions(-) create mode 100755 scripts/module/qp_update_readme.py delete mode 100755 scripts/module/update_README.py diff --git a/plugins/Full_CI/.gitignore b/plugins/Full_CI/.gitignore index 2d978fa6..a806bcbc 100644 --- a/plugins/Full_CI/.gitignore +++ b/plugins/Full_CI/.gitignore @@ -22,7 +22,6 @@ Properties Pseudo Selectors_full Utils -exc_degree ezfio_interface.irp.f full_ci full_ci_no_skip diff --git a/plugins/Full_CI/README.rst b/plugins/Full_CI/README.rst index d94675eb..853b82e3 100644 --- a/plugins/Full_CI/README.rst +++ b/plugins/Full_CI/README.rst @@ -4,10 +4,22 @@ Full_CI Module Performs a perturbatively selected Full-CI. +Needed Modules +============== + +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. + +.. image:: tree_dependency.png + +* `Perturbation `_ +* `Selectors_full `_ +* `Generators_full `_ + Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `full_ci `_ @@ -153,15 +165,3 @@ Documentation `var_pt2_ratio_run `_ Undocumented -Needed Modules -============== - -.. Do not edit this section. It was auto-generated from the -.. by the `update_README.py` script. - -.. image:: tree_dependency.png - -* `Perturbation `_ -* `Selectors_full `_ -* `Generators_full `_ - diff --git a/plugins/Generators_full/README.rst b/plugins/Generators_full/README.rst index dc6965e8..2a1d22df 100644 --- a/plugins/Generators_full/README.rst +++ b/plugins/Generators_full/README.rst @@ -5,10 +5,21 @@ Generators_full Module All the determinants of the wave function are generators. In this way, the Full CI space is explored. +Needed Modules +============== + +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. + +.. image:: tree_dependency.png + +* `Determinants `_ +* `Hartree_Fock `_ + Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `degree_max_generators `_ @@ -37,14 +48,3 @@ Documentation `size_select_max `_ Size of the select_max array -Needed Modules -============== - -.. Do not edit this section. It was auto-generated from the -.. by the `update_README.py` script. - -.. image:: tree_dependency.png - -* `Determinants `_ -* `Hartree_Fock `_ - diff --git a/plugins/Hartree_Fock/README.rst b/plugins/Hartree_Fock/README.rst index 28b3aec1..2fdb630a 100644 --- a/plugins/Hartree_Fock/README.rst +++ b/plugins/Hartree_Fock/README.rst @@ -7,7 +7,7 @@ From the 140 molecules of the G2 set, only LiO, ONa don't converge well. Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -18,7 +18,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `ao_bi_elec_integral_alpha `_ diff --git a/plugins/Perturbation/README.rst b/plugins/Perturbation/README.rst index 9162e94b..7e468907 100644 --- a/plugins/Perturbation/README.rst +++ b/plugins/Perturbation/README.rst @@ -67,10 +67,21 @@ Assumptions pt2_.... +Needed Modules +============== + +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. + +.. image:: tree_dependency.png + +* `Properties `_ +* `Hartree_Fock `_ + Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `do_pt2_end `_ @@ -350,14 +361,3 @@ Documentation The selection process stops when the energy ratio variational/(variational+PT2) is equal to var_pt2_ratio -Needed Modules -============== - -.. Do not edit this section. It was auto-generated from the -.. by the `update_README.py` script. - -.. image:: tree_dependency.png - -* `Properties `_ -* `Hartree_Fock `_ - diff --git a/plugins/Properties/README.rst b/plugins/Properties/README.rst index 5e5ab1cc..ffe67574 100644 --- a/plugins/Properties/README.rst +++ b/plugins/Properties/README.rst @@ -2,10 +2,20 @@ Properties Module ================= +Needed Modules +============== + +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. + +.. image:: tree_dependency.png + +* `Determinants `_ + Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `ao_integrated_delta_rho_all_points `_ @@ -142,13 +152,3 @@ Documentation `z_one_point `_ z point on which the integrated delta rho is calculated -Needed Modules -============== - -.. Do not edit this section. It was auto-generated from the -.. by the `update_README.py` script. - -.. image:: tree_dependency.png - -* `Determinants `_ - diff --git a/plugins/Selectors_full/README.rst b/plugins/Selectors_full/README.rst index 33cbaf16..7d5cd0e8 100644 --- a/plugins/Selectors_full/README.rst +++ b/plugins/Selectors_full/README.rst @@ -2,10 +2,21 @@ Selectors_full Module ===================== +Needed Modules +============== + +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. + +.. image:: tree_dependency.png + +* `Determinants `_ +* `Hartree_Fock `_ + Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `coef_hf_selector `_ @@ -175,14 +186,3 @@ Documentation `psi_selectors_size `_ Undocumented -Needed Modules -============== - -.. Do not edit this section. It was auto-generated from the -.. by the `update_README.py` script. - -.. image:: tree_dependency.png - -* `Determinants `_ -* `Hartree_Fock `_ - diff --git a/scripts/compilation/qp_create_ninja.py b/scripts/compilation/qp_create_ninja.py index 114a2b0e..0ff96f7e 100755 --- a/scripts/compilation/qp_create_ninja.py +++ b/scripts/compilation/qp_create_ninja.py @@ -23,12 +23,11 @@ except ImportError: "..", "..", "quantum_package.rc")) - print """ -Error: - source %s -""" % f + + print "\n".join(["", "Error:", "source %s" % f, ""]) sys.exit(1) + # __ # /__ | _ |_ _. | _. ._ o _. |_ | _ _ # \_| | (_) |_) (_| | \/ (_| | | (_| |_) | (/_ _> @@ -516,7 +515,7 @@ def ninja_readme_rule(): For not dealted the readme when ninja -t clean and the generator option """ l_string = ["rule build_readme", - " command = cd $module_abs ; update_README.py $module_root", + " command = qp_update_readme.py $module_abs --root_module $module_root", " description = update_README $module_rel", " generator = 1", ""] @@ -552,7 +551,8 @@ def ninja_readme_build(path_module, d_irp, dict_root_path): # / def get_binaries(path_module): """ - Return the list of binaries (Path= namedtuple('Path', ['abs', 'rel']) for a module + Return the list of binaries + (Path= namedtuple('Path', ['abs', 'rel']) for a module """ import subprocess @@ -729,7 +729,7 @@ def ninja_dot_tree_build(path_module, l_module): # |\/| _ _| | _ # | | (_) (_| |_| | (/_ # -def create_build_ninja_module(path_module): +def save_subninja_file(path_module): l_string = ["builddir = {0}".format(os.path.dirname(ROOT_BUILD_NINJA)), ""] @@ -929,9 +929,6 @@ if __name__ == "__main__": for module_to_compile in l_module: - if arguments["--development"]: - create_build_ninja_module(module_to_compile) - # ~#~#~#~#~#~#~#~ # # S y m l i n k # # ~#~#~#~#~#~#~#~ # @@ -946,19 +943,18 @@ if __name__ == "__main__": l_string += ninja_irpf90_make_build(module_to_compile, l_children, d_irp) - if arguments["--development"]: - l_string += ninja_binaries_build(module_to_compile, l_children, - d_binaries) + l_string += ninja_binaries_build(module_to_compile, l_children, + d_binaries) - elif arguments["--production"]: - l_string += ninja_binaries_build(module_to_compile, l_children, - d_binaries) + if arguments["--development"]: l_string += ninja_module_build(module_to_compile, d_binaries) l_string += ninja_gitignore_build(module_to_compile, d_binaries, l_symlink) + save_subninja_file(module_to_compile) + # ~#~#~#~#~ # # S a v e s # # ~#~#~#~#~ # diff --git a/scripts/module/module_handler.py b/scripts/module/module_handler.py index b79e03b9..08a0b297 100755 --- a/scripts/module/module_handler.py +++ b/scripts/module/module_handler.py @@ -30,7 +30,6 @@ except ImportError: raise -# Canot cache for namedtuple are not hashable def is_module(path_module): return os.path.isfile(os.path.join(QP_SRC, path_module, "NEEDED_CHILDREN_MODULES")) @@ -290,4 +289,3 @@ if __name__ == '__main__': l_text = l_dir + l_file + l_symlink + l_exe l_text.sort() f.write("\n".join(l_text)) - diff --git a/scripts/module/qp_update_readme.py b/scripts/module/qp_update_readme.py new file mode 100755 index 00000000..682b4d60 --- /dev/null +++ b/scripts/module/qp_update_readme.py @@ -0,0 +1,196 @@ +#!/usr/bin/env python +# -*- coding: utf-8 -*- +""" +Updates the README.rst of a module +Usage: + qp_update_readme.py [...] [--root_module=] + +Options: + path_readme: All the absolute path you want to update. + By default is the cwd + --root_module: Is the path of the root module who containt the tags file. + By default is the cwd +""" + +import sys + +try: + from docopt import docopt +except: + print "Please check if you have sourced the .quantum_package.rc" + print "(`source .quantum_package.rc`)" + print sys.exit(1) + +import os +from collections import namedtuple +from collections import defaultdict + + +def header_format(str_): + return "{0}\n{1}\n".format(str_, "=" * len(str_)) + + +D_KEY = {"needed_module": header_format("Needed Modules"), + "documentation": header_format("Documentation")} + + +URL = "http://github.com/LCPQ/quantum_package/tree/master/src" + +HEADER = "\n".join([".. Do not edit this section It was auto-generated", + ".. by the `update_README.py` script."]) + +# d[Path] ={humain, needed_module, documentation} +d_readme = defaultdict(dict) + + +def fetch_splitted_data(l_module_readme): + """Read the README.rst file and split it in strings: + * The documentation + * The needed modules + The result is given as a list of strings + """ + + sentinel = "@@$%&@@" + + for path_readme in l_module_readme: + with open(os.path.join(path_readme, "README.rst"), 'r') as f: + data = f.read() + + # Place sentinels + + for v in D_KEY.values(): + data = data.replace(v, sentinel + v) + + # Now Split data using the sentinels + d_readme[path_readme] = {"human": data.split(sentinel)[0]} + + +def update_needed(d_readme): + """Read the NEEDED_CHILDREN_MODULES file, and replace the data with it. + Create the links to the GitHub pages.""" + + header_image = ".. image:: tree_dependency.png" + + for path in d_readme: + + with open(os.path.join(path, 'NEEDED_CHILDREN_MODULES'), 'r') as f: + modules = f.read() + + if modules.strip(): + l_module = ['* `{0} <{1}>`_'.format(name, os.path.join(URL, name)) + for name in modules.split()] + + l_module_section = [D_KEY["needed_module"], + HEADER, '', + header_image, '', + '\n'.join(l_module), '', ''] + else: + l_module_section = "" + + d_readme[path]["needed_module"] = "\n".join(l_module_section) + + +def extract_doc(item): + """Extracts the documentation contained in IRPF90_man file""" + + path = os.path.join(ROOT_module, "IRPF90_man/%s.l" % (item)) + with open(path, 'r') as f: + l_line = f.readlines() + + result = [] + inside = False + for line in l_line: + if not inside: + inside = line.startswith(".SH Description") + else: + if line.startswith(".SH"): + break + result.append(" {0}".format(line.strip())) + + if not result: + result = [" Undocumented"] + + return "\n".join(result) + "\n" + + +def update_documentation(ROOT_module, d_readme): + """Reads the BEGIN_DOC ... END_DOC blocks and builds the documentation""" + + IRP_info = namedtuple('IRP_info', ["module", "file", "provider", "line"]) + + # If the file does not exist, don't do anything + path = os.path.join(ROOT_module, "tags") + + with open(path, 'r') as f: + dump = f.readlines() + + d_info = defaultdict(list) + + for i in dump: + # i = + # output_cpu_time_0 Ezfio_files/output.irp.f 2 + provider, irp_file_raw, ligne = i.split() + + for path in d_readme: + + if ROOT_module == path and "/" not in irp_file_raw: + d_info[path].append(IRP_info(os.path.basename(path), + irp_file_raw, + provider, + ligne)) + + elif "/" in irp_file_raw and os.path.dirname(irp_file_raw) in path: + + module, irp_file = os.path.split(irp_file_raw) + d_info[path].append(IRP_info(module, irp_file, provider, ligne)) + + for path in d_readme: + + l_doc = [] + + for irp in d_info[path]: + url = os.path.join(URL, os.path.basename(path), irp.file) + doc = extract_doc(irp.provider) + + l_doc += ["`{0} <{1}#L{2}>`_".format(irp.provider, url, irp.line), + doc, + ""] + + l_doc_section = [D_KEY["documentation"], + HEADER, '', + "\n".join(l_doc)] + + d_readme[path]["documentation"] = "\n".join(l_doc_section) + +if __name__ == '__main__': + arguments = docopt(__doc__) + + if arguments["--root_module"]: + ROOT_module = os.path.realpath(arguments["--root_module"]) + else: + ROOT_module = os.getcwd() + + if not arguments[""]: + l_module_readme = [os.path.join(os.getcwd())] + else: + l_module_readme = arguments[""] + + try: + fetch_splitted_data(l_module_readme) + except IOError: + print l_module_readme, "is not a module and/or", + print "have not a `README.rst` file inside" + print "Abort..." + sys.exit(1) + + update_needed(d_readme) + update_documentation(ROOT_module, d_readme) + + for path, d in d_readme.iteritems(): + + with open(os.path.join(path, "README.rst"), 'w') as f: + for k in ["human", + "needed_module", + "documentation"]: + + f.write(d[k]) diff --git a/scripts/module/update_README.py b/scripts/module/update_README.py deleted file mode 100755 index 8cc102c3..00000000 --- a/scripts/module/update_README.py +++ /dev/null @@ -1,188 +0,0 @@ -#!/usr/bin/env python -"""Updates the README.rst file as the include directive is disabled on GitHub.""" -__date__ = "Thu Apr 3 23:06:18 CEST 2014" -__author__ = "Anthony Scemama & TApplencourt " - -README = "README.rst" -Assum_key = "Assumptions\n===========\n" -Needed_key = "Needed Modules\n==============\n" -Doc_key = "Documentation\n=============\n" -Sentinel = "@@$%&@@" -URL = "http://github.com/LCPQ/quantum_package/tree/master/src/" - -import os -import subprocess -from collections import namedtuple -import sys - -""" -NEED to call in a module -First arg can be the root parent -""" -try: - ROOT_module = os.path.realpath(sys.argv[1]) -except: - ROOT_module = os.getcwd() - -if ROOT_module != os.getcwd(): - change = True -else: - change = False - -MODULE_NAME = os.path.basename(os.getcwd()) - - -header = """ -.. Do not edit this section. It was auto-generated from the -.. by the `update_README.py` script. - -""" - - -def fetch_splitted_data(): - """Read the README.rst file and split it in strings: - * The documentation - * The needed modules - The result is given as a list of strings - """ - - with open(README, 'r') as f: - data = f.read() - - # Place sentinels - data = data.replace(Doc_key, Sentinel + Doc_key) - data = data.replace(Needed_key, Sentinel + Needed_key) - - # Now Split data using the sentinels - result = data.split(Sentinel) - - return result - - -def update_needed(data): - """Read the NEEDED_CHILDREN_MODULES file, and replace the data with it. - Create the links to the GitHub pages.""" - - with open('NEEDED_CHILDREN_MODULES', 'r') as f: - modules = f.read() - - header_image = ".. image:: tree_dependency.png\n\n" - - if modules.strip(): - modules = ['* `{0} <{1}>`_'.format(name, os.path.join(URL, name)) - for name in modules.split()] - modules = "\n".join(modules) - modules = Needed_key + header + header_image + modules + '\n\n' - - has_modules = False - for i in range(len(data)): - if data[i].startswith(Needed_key): - has_modules = True - data[i] = modules - - if not has_modules: - data.append(modules) - - return data - - -def extract_doc(item): - """Extracts the documentation contained in IRPF90_man file""" - - path = os.path.join(ROOT_module, "IRPF90_man/%s.l" % (item)) - with open(path, 'r') as f: - l_line = f.readlines() - - result = [] - inside = False - for line in l_line: - if not inside: - inside = line.startswith(".SH Description") - else: - if line.startswith(".SH"): - break - result.append(" {0}".format(line.strip())) - - if not result: - result = [" Undocumented"] - - return "\n".join(result) + '\n' - - -def update_documentation(data): - """Reads the BEGIN_DOC ... END_DOC blocks and builds the documentation""" - - IRP_info = namedtuple('IRP_info', ["name", "file", "line"]) - - # If the file does not exist, don't do anything - - path = os.path.join(ROOT_module, "tags") - - with open(path, 'r') as f: - dump = f.readlines() - - l_info = [] - for i in dump: - name, f, ligne = i.split() - - if not change and "/" not in i: - l_info.append(IRP_info(name, f, ligne)) - elif change and MODULE_NAME in i: - l_info.append(IRP_info(name, f.split("/")[-1], ligne)) - - l_line = [] - - for irp in l_info: - url = os.path.join(URL, MODULE_NAME, irp.file) - doc = extract_doc(irp.name) - - l_line += ["`{0} <{1}#L{2}>`_".format(irp.name, url, irp.line), doc, - ""] - - documentation = Doc_key + header + "\n".join(l_line) - - has_doc = False - for i in range(len(data)): - if data[i].startswith(Doc_key): - has_doc = True - data[i] = documentation - - if not has_doc: - data.append(documentation) - - return data - - -def git_add(): - """Executes: - git add README.rst - throw an error if git is not precent""" - - try: - # pipe output to /dev/null for silence - null = open("/dev/null", "w") - subprocess.Popen("git add README.rst", stdout=null, stderr=null) - null.close() - - except OSError: - raise - - -def main(): - data = fetch_splitted_data() - - data = update_documentation(data) - data = update_needed(data) - output = ''.join(data) - - with open(README, 'w') as f: - f.write(output) - - try: - git_add() - except OSError: - pass - - -if __name__ == '__main__': - main() diff --git a/src/AO_Basis/README.rst b/src/AO_Basis/README.rst index 4a1aa1ef..b174f41c 100644 --- a/src/AO_Basis/README.rst +++ b/src/AO_Basis/README.rst @@ -33,7 +33,7 @@ Assumptions Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -43,7 +43,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `ao_coef `_ diff --git a/src/Bitmask/README.rst b/src/Bitmask/README.rst index f8d44248..d42457be 100644 --- a/src/Bitmask/README.rst +++ b/src/Bitmask/README.rst @@ -37,7 +37,7 @@ Assumptions Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -47,7 +47,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `bitstring_to_hexa `_ diff --git a/src/Determinants/README.rst b/src/Determinants/README.rst index 823cdd39..f3eb596f 100644 --- a/src/Determinants/README.rst +++ b/src/Determinants/README.rst @@ -29,7 +29,7 @@ Assumptions Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -40,7 +40,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `a_operator `_ diff --git a/src/Electrons/README.rst b/src/Electrons/README.rst index 5c785e4e..a087908d 100644 --- a/src/Electrons/README.rst +++ b/src/Electrons/README.rst @@ -21,7 +21,7 @@ Assumptions Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -31,7 +31,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `elec_alpha_num `_ diff --git a/src/Integrals_Bielec/README.rst b/src/Integrals_Bielec/README.rst index eed456c4..1fa66a1b 100644 --- a/src/Integrals_Bielec/README.rst +++ b/src/Integrals_Bielec/README.rst @@ -13,7 +13,7 @@ MO integral, use ``get_mo_bielec_integral(i,j,k,l,mo_integrals_map)`` or Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -24,7 +24,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `add_integrals_to_map `_ diff --git a/src/Integrals_Monoelec/README.rst b/src/Integrals_Monoelec/README.rst index 98ec1331..ed7af931 100644 --- a/src/Integrals_Monoelec/README.rst +++ b/src/Integrals_Monoelec/README.rst @@ -1,7 +1,7 @@ Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -12,7 +12,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `ao_deriv2_x `_ diff --git a/src/MOGuess/README.rst b/src/MOGuess/README.rst index d10b1ef5..643e8945 100644 --- a/src/MOGuess/README.rst +++ b/src/MOGuess/README.rst @@ -5,7 +5,7 @@ MOGuess Module Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -15,7 +15,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `ao_ortho_lowdin_coef `_ diff --git a/src/MO_Basis/README.rst b/src/MO_Basis/README.rst index 5cbe0165..ee83de36 100644 --- a/src/MO_Basis/README.rst +++ b/src/MO_Basis/README.rst @@ -33,7 +33,7 @@ ASSUMPTONS Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -44,7 +44,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `ao_to_mo `_ diff --git a/src/Nuclei/README.rst b/src/Nuclei/README.rst index 9f0b15d9..13058a7f 100644 --- a/src/Nuclei/README.rst +++ b/src/Nuclei/README.rst @@ -9,7 +9,7 @@ The coordinates are expressed in atomic units. Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -20,7 +20,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `element_name `_ diff --git a/src/Pseudo/README.rst b/src/Pseudo/README.rst index 84a555da..d6890929 100644 --- a/src/Pseudo/README.rst +++ b/src/Pseudo/README.rst @@ -5,7 +5,7 @@ Pseudo Module Needed Modules ============== -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png @@ -15,7 +15,7 @@ Needed Modules Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `do_pseudo `_ diff --git a/src/Utils/README.rst b/src/Utils/README.rst index 104705a4..8ca88b1a 100644 --- a/src/Utils/README.rst +++ b/src/Utils/README.rst @@ -7,7 +7,7 @@ Contains general purpose utilities. Documentation ============= -.. Do not edit this section. It was auto-generated from the +.. Do not edit this section It was auto-generated .. by the `update_README.py` script. `a_coef `_ @@ -634,4 +634,3 @@ Documentation `write_git_log `_ Write the last git commit in file iunit. -