diff --git a/TODO b/TODO index 8356d545..d90e87de 100644 --- a/TODO +++ b/TODO @@ -1,6 +1,6 @@ # qp_module -* Mettre les fichiers de test dans le directory source +* Change travis test * Mettre le fichier LIB # Web/doc @@ -52,7 +52,7 @@ # Programmers doc: - * Example : Simple Hartree-Fock program from scratch + * Example : Simple Hartree-Fock program from scratch * Examples : subroutine example_module # Config file for Cray diff --git a/data/module_gitignore b/data/module_gitignore index 3f4d78b6..edc32208 100644 --- a/data/module_gitignore +++ b/data/module_gitignore @@ -1,32 +1,30 @@ -# Automatically created by $QP_ROOT/scripts/module/module_handler.py -.ninja_deps -.ninja_log -/home/scemama/quantum_package/src/tools/diagonalize_h -/home/scemama/quantum_package/src/tools/fcidump -/home/scemama/quantum_package/src/tools/four_idx_transform -/home/scemama/quantum_package/src/tools/molden -/home/scemama/quantum_package/src/tools/save_natorb -/home/scemama/quantum_package/src/tools/save_ortho_mos -/home/scemama/quantum_package/src/tools/write_integrals_erf -IRPF90_man -IRPF90_temp +IRPF90_temp/ +IRPF90_man/ +irpf90.make +ezfio_interface.irp.f +irpf90_entities +tags Makefile -Makefile.depend ao_basis ao_one_e_integrals ao_two_e_integrals +becke_numerical_grid bitmask +cis +cisd davidson +davidson_dressed davidson_undressed determinants +dressing +dummy electrons ezfio_files -ezfio_interface.irp.f fci +generators_cas generators_full hartree_fock -irpf90.make -irpf90_entities +integrals_bielec iterations mo_basis mo_guess @@ -39,9 +37,11 @@ perturbation pseudo psiref_cas psiref_utils -scf_utils +selectors_cassd selectors_full selectors_utils -tags +single_ref_method +slave +tools utils -zmq \ No newline at end of file +zmq diff --git a/scripts/module/module_handler.py b/scripts/module/module_handler.py index 16f00649..8256d14c 100755 --- a/scripts/module/module_handler.py +++ b/scripts/module/module_handler.py @@ -6,7 +6,6 @@ Module utilitary Usage: module_handler.py print_descendant [...] module_handler.py clean [ --all | ...] - module_handler.py create_git_ignore [...] Options: print_descendant Print the genealogy of the needed modules @@ -225,7 +224,7 @@ if __name__ == '__main__': for module in l_module: print " ".join(sorted(m.l_descendant_unique([module]))) - if arguments["clean"] or arguments["create_git_ignore"]: + if arguments["clean"]: l_dir = ['IRPF90_temp', 'IRPF90_man'] l_file = ["irpf90_entities", "tags", "irpf90.make", "Makefile", @@ -263,14 +262,4 @@ if __name__ == '__main__': except: pass - if arguments["create_git_ignore"]: - - path = os.path.join(module_abs, ".gitignore") - - with open(path, "w+") as f: - f.write("# Automatically created by {0} \n".format(__file__).replace(QP_ROOT,"$QP_ROOT")) - l_text = l_dir + l_file + l_symlink + l_exe - l_text.sort() - f.write("\n".join(l_text)) -