diff --git a/include/.empty b/include/.empty deleted file mode 100644 index e69de29b..00000000 diff --git a/lib/.empty b/lib/.empty deleted file mode 100644 index e69de29b..00000000 diff --git a/scripts/compilation/create_ninja_build.py b/scripts/compilation/create_ninja_build.py index f48c49c4..5c8b10e7 100755 --- a/scripts/compilation/create_ninja_build.py +++ b/scripts/compilation/create_ninja_build.py @@ -484,7 +484,7 @@ def get_program(path_module): return [] -def get_dict_binaries(mode="development"): +def get_dict_binaries(mode): """ Return a dict [module] = list_binaries If a the production mode is enable only header module will produce binaries @@ -578,7 +578,7 @@ def ninja_dot_tree_rule(): l_string = ["rule build_dot_tree", " command = {0}".format(" ; ".join(l_cmd)), - " description = Generate Dot Dependancies Tree of $module" + " description = Generate Dot Dependancies Tree of $module", ""] return l_string @@ -652,8 +652,8 @@ if __name__ == "__main__": d_genealogy_path = dict_module_genelogy_path(d_genealogy) d_irp = get_file_dependency(d_genealogy_path) - d_binaries_production = get_dict_binaries("production") - d_binaries_development = get_dict_binaries("development") + d_binaries_production = get_dict_binaries(mode="production") + d_binaries_development = get_dict_binaries(mode="development") # ~#~#~#~#~#~#~#~#~#~#~#~#~ # # M o d u l e _ t o _ i r p # diff --git a/src/NEEDED_MODULES b/src/NEEDED_MODULES deleted file mode 100644 index 77be07e1..00000000 --- a/src/NEEDED_MODULES +++ /dev/null @@ -1 +0,0 @@ -AOs Integrals_Bielec Bitmask CAS_SD CID CID_SC2_selected CID_selected CIS CISD CISD_SC2_selected CISD_selected DensityFit DDCI_selected Electrons Ezfio_files FCIdump Full_CI Generators_CAS Generators_full Hartree_Fock MOGuess Molden Integrals_Monoelec MOs MP2 MRCC Nuclei Pseudo Selectors_full Utils QmcChem \ No newline at end of file diff --git a/tests/HBO.out b/testing_no_regression/HBO.out similarity index 100% rename from tests/HBO.out rename to testing_no_regression/HBO.out diff --git a/tests/HBO.xyz b/testing_no_regression/HBO.xyz similarity index 100% rename from tests/HBO.xyz rename to testing_no_regression/HBO.xyz diff --git a/tests/SO2.xyz b/testing_no_regression/SO2.xyz similarity index 100% rename from tests/SO2.xyz rename to testing_no_regression/SO2.xyz diff --git a/tests/methane.xyz b/testing_no_regression/methane.xyz similarity index 100% rename from tests/methane.xyz rename to testing_no_regression/methane.xyz diff --git a/tests/unit_test/unit_test.py b/testing_no_regression/unit_test.py similarity index 96% rename from tests/unit_test/unit_test.py rename to testing_no_regression/unit_test.py index 25c8a316..6fc13696 100755 --- a/tests/unit_test/unit_test.py +++ b/testing_no_regression/unit_test.py @@ -44,9 +44,6 @@ def init_folder(geo, basis, mult=1, pseudo=False, ezfio_name=None): DO NOT CHECK IS THE EZFIO FOLDER ALREADY EXIST ''' - cmd = "cp {0}/tests/{1}.xyz .".format(qpackage_root, geo) - subprocess.check_call([cmd], shell=True) - if not ezfio_name: ezfio_name = geo @@ -58,9 +55,6 @@ def init_folder(geo, basis, mult=1, pseudo=False, ezfio_name=None): subprocess.check_call([cmd.format(basis, mult, geo, ezfio_name)], shell=True) - subprocess.call(["rm {0}.xyz".format(geo)], shell=True) - - def get_error_message(l_exepected, l_cur): l_msg = ["Need {0} get {1} error is {2}".format(i, j, abs(i - j)) for i, j in zip(l_exepected, l_cur)] @@ -335,10 +329,6 @@ def check_convert(path_out): # ~#~#~#~#~#~#~#~#~#~#~#~#~ # # S e t _ p a r a m e t e r # # ~#~#~#~#~#~#~#~#~#~#~#~#~ # - - cmd = "cp {0}/tests/{1} .".format(qpackage_root, path_out) - subprocess.check_call([cmd], shell=True) - cmd = "qp_convert_output_to_ezfio.py {0}".format(path_out) subprocess.check_call([cmd], shell=True) @@ -359,7 +349,6 @@ def check_convert(path_out): ref_e = ref_energy[path_out] if abs(cur_e - ref_e) <= precision: - subprocess.call(["rm {0}".format(path_out)], shell=True) subprocess.call(["rm -R {0}.ezfio".format(path_out)], shell=True) return True else: