diff --git a/tools/package_planner/pkg_plan_force_eval.txt b/tools/package_planner/pkg_plan_force_eval.txt new file mode 100644 index 0000000000..b6fc665471 --- /dev/null +++ b/tools/package_planner/pkg_plan_force_eval.txt @@ -0,0 +1,70 @@ +[ +#============================================================================ + {'dirname':'start', 'requires+': ['../other_runs']}, + {'dirname':'other_runs', + 'requires': ["../common", "../base", "../", "../input", "../acc", "../dbcsrwrap", "../pw", "../mpiwrap", "../subsys", "../force_eval","../fm",], + 'files': ["ipi_driver.F", + "optimize_basis.F", + "cp2k_debug.F", + "optimize_input.F", + "mode_selective.F" + ] + }, + +#============================================================================ + {'dirname':'start', 'requires+': ['../force_eval']}, + {'dirname':'swarm', 'requires+': ['../force_eval']}, + {'dirname':'tmc', 'requires+': ['../force_eval']}, + {'dirname':'motion', 'requires+': ['../force_eval']}, + + {'dirname':'force_eval', + 'requires': ["../common", "../base", "../", "../input", "../acc", "../dbcsrwrap", "../pw", "../mpiwrap", "../subsys", "../fm"], + 'files': ["force_env_methods.F", + "force_env_types.F", + "force_env_utils.F", + "f77_interface.F", + "input_restart_force_eval.F", + "replica_methods.F", + "replica_types.F", + + # consequence of f77 hack + "ep_types.F", + "ep_methods.F", + "ep_f77_low.F", + + ] + }, + +#============================================================================ + {'dirname':'motion', 'requires+': ['../strain']}, + {'dirname':'force_eval', 'requires+': ['../strain']}, + + {'dirname':'strain', + 'requires': ["../common", "../base", "../", "../input", "../acc", "../dbcsrwrap", "../pw", "../mpiwrap", "../subsys"], + 'files': ["restraint.F", + "colvar_methods.F", + "constraint_clv.F", + "constraint.F", + "constraint_vsite.F", + "constraint_fxd.F", + "constraint_util.F", + "constraint_3x3.F", + "constraint_4x6.F", + ] + }, + + +#============================================================================ + {'dirname':'motion', + 'files': [ + "colvar_utils.F", + "metadynamics_utils.F", + "metadynamics.F", + "motion_utils.F", + "optimize_input.F", + "mode_selective.F", + ] + }, + +] +#EOF diff --git a/tools/package_planner/pkg_plan_gpw.txt b/tools/package_planner/pkg_plan_gpw.txt index b41ac5d358..44f20a0bb4 100644 --- a/tools/package_planner/pkg_plan_gpw.txt +++ b/tools/package_planner/pkg_plan_gpw.txt @@ -1,6 +1,9 @@ - {'dirname':'gpw', +[ + {'dirname':'', 'requires+': ["gpw", ] }, + + {'dirname':'gpw', 'requires': ["../base", "../common", "../mpiwrap", "../input", - "../pw", "../grid", "../aobasis", "../dbcsrwrap", "../subsys" ], + "../pw", "../grid", "../aobasis", "../dbcsrwrap", "../subsys", "../fm" ], 'files': [ "task_list_types.F", "cp_spline_utils.F", @@ -30,4 +33,5 @@ "task_list_methods.F", ] }, - +] +#EOF diff --git a/tools/package_planner/pkg_plan_hfx.txt b/tools/package_planner/pkg_plan_hfx.txt index 20703cd6b0..c6df0d82b3 100644 --- a/tools/package_planner/pkg_plan_hfx.txt +++ b/tools/package_planner/pkg_plan_hfx.txt @@ -1,3 +1,6 @@ +[ + { 'dirname': '', 'requires+': ["hfx",] }, + { 'dirname': 'hfx', 'requires': ["../base", "../common", "../mpiwrap", '../input', "../aobasis", "../subsys", "../dbcsrwrap"], 'files': [ @@ -25,3 +28,6 @@ "input_cp2k_hfx.F", ], }, + +] +#EOF diff --git a/tools/package_planner/pkg_plan_qs_subsys.txt b/tools/package_planner/pkg_plan_qs_subsys.txt new file mode 100644 index 0000000000..be01e7ca4b --- /dev/null +++ b/tools/package_planner/pkg_plan_qs_subsys.txt @@ -0,0 +1,37 @@ +[ + + {'dirname':'', 'requires+': ["qs_subsys"] }, + {'dirname':'motion', 'requires+': ["../qs_subsys"] }, # because of rt_propagate + + {'dirname':'qs_subsys', + 'requires':["../common", "../base", "../input", "../mpiwrap", "../aobasis", "../pw", "../fm", "../subsys"], + 'files': ["qs_subsys_types.F", + "qs_kind_types.F", + "qs_grid_atom.F", + "semi_empirical_types.F", + "scptb_types.F", + "paw_proj_set_types.F", + "qs_dftb_types.F", + "qs_harmonics_atom.F", + "soft_basis_set.F", + "qs_dispersion_types.F", + "dg_types.F", + "taper_types.F", + "semi_empirical_mpole_types.F", + "semi_empirical_expns3_types.F", + "xas_control.F", + "qs_neighbor_list_types.F", + "qs_energy_types.F", + "qs_force_types.F", + #"qs_dftb_utils.F", + #"semi_empirical_utils.F", + #"cp_control_types.F", +#cp_output_handling.F +#qmmm_ff_fist.F +#input_constants.F +#cp_output_handling.F + ], + }, + +] +#EOF