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Diffstat (limited to 'science/gdis/files/patch-gui_siesta.c')
-rw-r--r--science/gdis/files/patch-gui_siesta.c113
1 files changed, 0 insertions, 113 deletions
diff --git a/science/gdis/files/patch-gui_siesta.c b/science/gdis/files/patch-gui_siesta.c
deleted file mode 100644
index 39450b620bf8..000000000000
--- a/science/gdis/files/patch-gui_siesta.c
+++ /dev/null
@@ -1,113 +0,0 @@
---- gui_siesta.c.orig Mon Oct 16 10:59:37 2006
-+++ gui_siesta.c Thu Nov 2 00:30:56 2006
-@@ -58,10 +58,10 @@
- /*************************/
- void gui_siesta_dialog(void)
- {
-- siestafileWRITE = FALSE;
- GtkWidget *window;
- gpointer dialog;
- struct model_pak *model;
-+ siestafileWRITE = FALSE;
-
- model = sysenv.active_model;
-
-@@ -797,6 +797,8 @@
- struct model_pak * model;
- struct core_pak *core_i;
- struct core_pak *core_j;
-+GtkWidget *hbox, *vbox, *vbox2, *window;
-+GtkWidget *dialog, *frame;
-
-
- model = sysenv.active_model;
-@@ -826,8 +828,6 @@
-
- num_lines = 3*2*num_atoms*num_atoms;
-
-- GtkWidget *hbox, *vbox, *vbox2, *window;
-- GtkWidget *dialog, *frame;
- /* Create the widgets */
-
- /* request a dialog */
-@@ -844,6 +844,10 @@
- FILE *fp, *matout;
-
- gchar * modelFCname, *modelFCnameCSV;
-+ gdouble correction;
-+ gint temp_int;
-+ gdouble freq_i, freq_ii;
-+ gint sizeofeig;
-
- modelFCname = g_strdup_printf("%s/%s.FC", sysenv.cwd, model->basename);
- modelFCnameCSV = g_strdup_printf("%s.csv", modelFCname);
-@@ -1102,7 +1106,6 @@
- // enddo
- // enddo
-
-- gdouble correction;
- for (i=0; i<num_atoms; i++)
- {
- for (j=0; j<num_atoms; j++)
-@@ -1219,13 +1222,11 @@
- model->siesta.sorted_eig_values[i] = i;
- }
-
-- gint temp_int;
-- gdouble freq_i, freq_ii;
-
- /*
- gint sizeofeig = model->siesta.eigen_values->dim;
- */
-- gint sizeofeig = mesch_dim_get(model->siesta.eigen_values);
-+ sizeofeig = mesch_dim_get(model->siesta.eigen_values);
-
-
- for (j=sizeofeig-1; j>1; j--)
-@@ -1350,10 +1351,10 @@
- {
- //evil active model call - evil evil evil
- struct model_pak *model;
-- model = sysenv.active_model;
--
- gchar *buff;
-
-+ model = sysenv.active_model;
-+
- buff = g_strdup(gtk_entry_get_text(GTK_ENTRY(GTK_COMBO(data)->entry)));
- if (g_ascii_strncasecmp("Verlet", buff, 6) == 0)
- model->siesta.md_type_of_run = VERLET_MDRUN;
-@@ -1747,6 +1748,9 @@
-
- for (i=0; i<total_files; i++)
- {
-+ //grab current grid_config_pak
-+ struct grid_config_pak * grid_pak;
-+
- //set the range for md_fc_first, and md_fc_last
- model->siesta.md_fc_first = i* model->siesta.atoms_per_job + 1;
- model->siesta.md_fc_last = i * model->siesta.atoms_per_job + model->siesta.atoms_per_job;
-@@ -1763,9 +1767,6 @@
- // call the fdf save bit....
- file_save_as(filename, model);
-
-- //grab current grid_config_pak
-- struct grid_config_pak * grid_pak;
--
- //get job directory
- siesta_make_runscript(model->basename, sysenv.cwd, grid_pak);
-
-@@ -1851,12 +1852,11 @@
- int i, jobID;
- int total_files;
- gchar * filename, * orig_basename, *queuepath, *jobID_string;
-+ struct grid_config_pak * grid_pak;
-
- total_files = model->num_atoms / model->siesta.atoms_per_job +1;
-
- orig_basename = g_strdup(model->basename);
--
-- struct grid_config_pak * grid_pak;
-
- //default jobstorage dir??
- //"$homedir/.gdis_jobs/ ?