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https://github.com/LCPQ/quantum_package
synced 2024-10-19 22:41:48 +02:00
Fixed gitignore
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2
TODO
2
TODO
@ -1,6 +1,6 @@
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# qp_module
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* Mettre les fichiers de test dans le directory source
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* Change travis test
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* Mettre le fichier LIB
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# Web/doc
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@ -1,32 +1,30 @@
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# Automatically created by $QP_ROOT/scripts/module/module_handler.py
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.ninja_deps
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.ninja_log
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/home/scemama/quantum_package/src/tools/diagonalize_h
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/home/scemama/quantum_package/src/tools/fcidump
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/home/scemama/quantum_package/src/tools/four_idx_transform
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/home/scemama/quantum_package/src/tools/molden
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/home/scemama/quantum_package/src/tools/save_natorb
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/home/scemama/quantum_package/src/tools/save_ortho_mos
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/home/scemama/quantum_package/src/tools/write_integrals_erf
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IRPF90_man
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IRPF90_temp
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IRPF90_temp/
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IRPF90_man/
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irpf90.make
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ezfio_interface.irp.f
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irpf90_entities
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tags
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Makefile
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Makefile.depend
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ao_basis
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ao_one_e_integrals
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ao_two_e_integrals
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becke_numerical_grid
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bitmask
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cis
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cisd
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davidson
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davidson_dressed
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davidson_undressed
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determinants
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dressing
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dummy
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electrons
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ezfio_files
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ezfio_interface.irp.f
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fci
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generators_cas
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generators_full
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hartree_fock
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irpf90.make
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irpf90_entities
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integrals_bielec
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iterations
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mo_basis
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mo_guess
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@ -39,9 +37,11 @@ perturbation
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pseudo
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psiref_cas
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psiref_utils
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scf_utils
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selectors_cassd
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selectors_full
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selectors_utils
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tags
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single_ref_method
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slave
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tools
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utils
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zmq
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@ -6,7 +6,6 @@ Module utilitary
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Usage:
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module_handler.py print_descendant [<module_name>...]
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module_handler.py clean [ --all | <module_name>...]
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module_handler.py create_git_ignore [<module_name>...]
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Options:
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print_descendant Print the genealogy of the needed modules
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@ -225,7 +224,7 @@ if __name__ == '__main__':
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for module in l_module:
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print " ".join(sorted(m.l_descendant_unique([module])))
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if arguments["clean"] or arguments["create_git_ignore"]:
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if arguments["clean"]:
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l_dir = ['IRPF90_temp', 'IRPF90_man']
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l_file = ["irpf90_entities", "tags", "irpf90.make", "Makefile",
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@ -263,14 +262,4 @@ if __name__ == '__main__':
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except:
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pass
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if arguments["create_git_ignore"]:
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path = os.path.join(module_abs, ".gitignore")
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with open(path, "w+") as f:
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f.write("# Automatically created by {0} \n".format(__file__).replace(QP_ROOT,"$QP_ROOT"))
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l_text = l_dir + l_file + l_symlink + l_exe
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l_text.sort()
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f.write("\n".join(l_text))
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