From 498012f6e911c9064ecc7d08a72cdae32a8de083 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= <ole.schuett@cp2k.org>
Date: Mon, 27 Oct 2014 10:30:10 +0000
Subject: [PATCH] More package plans

svn-origin-rev: 14483
---
 tools/package_planner/pkg_plan_force_eval.txt | 70 +++++++++++++++++++
 tools/package_planner/pkg_plan_gpw.txt        | 10 ++-
 tools/package_planner/pkg_plan_hfx.txt        |  6 ++
 tools/package_planner/pkg_plan_qs_subsys.txt  | 37 ++++++++++
 4 files changed, 120 insertions(+), 3 deletions(-)
 create mode 100644 tools/package_planner/pkg_plan_force_eval.txt
 create mode 100644 tools/package_planner/pkg_plan_qs_subsys.txt

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