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svn-origin-rev: 14483
This commit is contained in:
Ole Schütt 2014-10-27 10:30:10 +00:00
parent dee5f34852
commit 498012f6e9
4 changed files with 120 additions and 3 deletions
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70
tools/package_planner/pkg_plan_force_eval.txt Normal file
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[
#============================================================================
{'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

10
tools/package_planner/pkg_plan_gpw.txt
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@ -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

6
tools/package_planner/pkg_plan_hfx.txt
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[
{ 'dirname': '', 'requires+': ["hfx",] },
{ 'dirname': 'hfx',
'requires': ["../base", "../common", "../mpiwrap", '../input', "../aobasis", "../subsys", "../dbcsrwrap"],
'files': [
@ -25,3 +28,6 @@
"input_cp2k_hfx.F",
],
},
]
#EOF

37
tools/package_planner/pkg_plan_qs_subsys.txt Normal file
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[
{'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