diff --git a/scripts/compilation/qp_create_ninja.py b/scripts/compilation/qp_create_ninja.py index 0b9cfa1c..2c0c68b4 100755 --- a/scripts/compilation/qp_create_ninja.py +++ b/scripts/compilation/qp_create_ninja.py @@ -475,6 +475,7 @@ def ninja_readme_rule(): """ l_string = ["rule build_readme", " command = cd $module_abs ; update_README.py $module_root", + " description = update_README $module_rel", " generator = 1", ""] return l_string @@ -485,9 +486,10 @@ def ninja_readme_build(path_module, d_irp, dict_root_path): Rule for creation the readme """ path_readme = join(path_module.abs, "README.rst") - l_depend = d_irp[path_module]["l_depend"] root_module = dict_root_path[module] + l_depend = d_irp[path_module]["l_depend"] + [join(root_module.abs, "tags")] + l_string = ["build {0}: build_readme {1}".format(path_readme, " ".join(l_depend)), " module_root = {0}".format(root_module.abs), @@ -669,7 +671,7 @@ def ninja_dot_tree_rule(): def ninja_dot_tree_build(path_module, l_module): path_tree = join(path_module.abs, "tree_dependency.png") - l_dep = [path.abs for path in l_module] + l_dep = [join(path.abs, "NEEDED_CHILDREN_MODULES") for path in l_module] l_string = ["build {0}: build_dot_tree {1}".format(path_tree, " ".join(l_dep)), " module_abs = {0}".format(path_module.abs), " module_rel = {0}".format(path_module.rel), ""] diff --git a/scripts/module/module_handler.py b/scripts/module/module_handler.py index ddaf976d..9a9910f6 100755 --- a/scripts/module/module_handler.py +++ b/scripts/module/module_handler.py @@ -250,3 +250,14 @@ if __name__ == '__main__': os.remove(os.path.join(module_abs,f)) except: pass + + for f in os.listdir(module_abs): + + def is_exe(fpath): + return os.path.isfile(fpath) and os.access(fpath, os.X_OK) + + if is_exe(f): + try: + os.remove(os.path.join(module_abs, f)) + except: + pass diff --git a/scripts/module/update_README.py b/scripts/module/update_README.py index b55c932a..8cc102c3 100755 --- a/scripts/module/update_README.py +++ b/scripts/module/update_README.py @@ -24,15 +24,13 @@ try: except: ROOT_module = os.getcwd() -if ROOT_module != os.getcwd: +if ROOT_module != os.getcwd(): change = True else: change = False MODULE_NAME = os.path.basename(os.getcwd()) -print MODULE_NAME -print ROOT_module header = """ .. Do not edit this section. It was auto-generated from the diff --git a/src/Determinants/README.rst b/src/Determinants/README.rst index 44ab99d7..2d01ebb6 100644 --- a/src/Determinants/README.rst +++ b/src/Determinants/README.rst @@ -492,10 +492,6 @@ Documentation Maximum degree of excitation in the wf -`mo_label `_ - o_label - - `mono_elec_ref_bitmask_energy `_ Energy of the reference bitmask used in Slater rules diff --git a/src/Ezfio_files/README.rst b/src/Ezfio_files/README.rst index db63d6c8..b1342fca 100644 --- a/src/Ezfio_files/README.rst +++ b/src/Ezfio_files/README.rst @@ -30,159 +30,79 @@ Documentation .br -`output_aos `_ - Output file for AOs +`output_ao_basis `_ + Output file for AO_Basis `output_bitmask `_ Output file for Bitmask -`output_cas_sd `_ - Output file for CAS_SD - - -`output_cid `_ - Output file for CID - - -`output_cid_sc2_selected `_ - Output file for CID_SC2_selected - - -`output_cid_selected `_ - Output file for CID_selected - - -`output_cis `_ - Output file for CIS - - -`output_cisd `_ - Output file for CISD - - -`output_cisd_sc2_selected `_ - Output file for CISD_SC2_selected - - -`output_cisd_selected `_ - Output file for CISD_selected - - `output_cpu_time_0 `_ Initial CPU and wall times when printing in the output files -`output_ddci_selected `_ - Output file for DDCI_selected - - -`output_densityfit `_ - Output file for DensityFit - - -`output_densitymatrix `_ - Output file for DensityMatrix - - -`output_determinants `_ +`output_determinants `_ Output file for Determinants -`output_electrons `_ +`output_electrons `_ Output file for Electrons -`output_ezfio_files `_ +`output_ezfio_files `_ Output file for Ezfio_files -`output_fcidump `_ - Output file for FCIdump - - -`output_full_ci `_ +`output_full_ci `_ Output file for Full_CI -`output_generators_cas `_ - Output file for Generators_CAS - - -`output_generators_full `_ +`output_generators_full `_ Output file for Generators_full -`output_generators_restart `_ - Output file for Generators_restart - - -`output_hartree_fock `_ +`output_hartree_fock `_ Output file for Hartree_Fock -`output_integrals_bielec `_ +`output_integrals_bielec `_ Output file for Integrals_Bielec -`output_integrals_monoelec `_ +`output_integrals_monoelec `_ Output file for Integrals_Monoelec -`output_moguess `_ +`output_mo_basis `_ + Output file for MO_Basis + + +`output_moguess `_ Output file for MOGuess -`output_molden `_ - Output file for Molden - - -`output_mos `_ - Output file for MOs - - -`output_mp2 `_ - Output file for MP2 - - -`output_mrcc `_ - Output file for MRCC - - -`output_nuclei `_ +`output_nuclei `_ Output file for Nuclei -`output_perturbation `_ +`output_perturbation `_ Output file for Perturbation -`output_properties `_ +`output_properties `_ Output file for Properties -`output_pseudo `_ +`output_pseudo `_ Output file for Pseudo -`output_qmcchem `_ - Output file for QmcChem - - -`output_selectors_full `_ +`output_selectors_full `_ Output file for Selectors_full -`output_selectors_no_sorted `_ - Output file for Selectors_no_sorted - - -`output_singlerefmethod `_ - Output file for SingleRefMethod - - -`output_utils `_ +`output_utils `_ Output file for Utils