summaryrefslogtreecommitdiff
path: root/science
diff options
context:
space:
mode:
authorMartin Wilke <miwi@FreeBSD.org>2013-03-02 06:29:42 +0000
committerMartin Wilke <miwi@FreeBSD.org>2013-03-02 06:29:42 +0000
commit3867f31f21c6baaa1f959ccdde9ff07729bd4da7 (patch)
tree1acee2906292a7f02e8c3386a6182f35ce2f498d /science
parent- Update to 435 (diff)
- Update to 0.90
PR: 176549 Submitted by: Ports Fury
Notes
Notes: svn path=/head/; revision=313207
Diffstat (limited to 'science')
-rw-r--r--science/gdis/Makefile89
-rw-r--r--science/gdis/distinfo4
-rw-r--r--science/gdis/files/patch-crystal_graph.c71
-rw-r--r--science/gdis/files/patch-file_bgf.c20
-rw-r--r--science/gdis/files/patch-file_cgf.c69
-rw-r--r--science/gdis/files/patch-grid.c20
-rw-r--r--science/gdis/files/patch-gui_monty.c37
-rw-r--r--science/gdis/files/patch-gui_siesta.c113
-rw-r--r--science/gdis/files/patch-main.c32
-rw-r--r--science/gdis/files/patch-module.c10
-rw-r--r--science/gdis/files/patch-molsurf.c22
11 files changed, 87 insertions, 400 deletions
diff --git a/science/gdis/Makefile b/science/gdis/Makefile
index 4d969a0cdd2d..012da24cc565 100644
--- a/science/gdis/Makefile
+++ b/science/gdis/Makefile
@@ -1,47 +1,88 @@
-# ex:ts=8
-# Ports collection Makefile for: gdis
-# Date created: Mar 3, 2002
-# Whom: ijliao
-#
+# Created y: ijliao
# $FreeBSD$
-#
PORTNAME= gdis
-PORTVERSION= 0.89
-PORTREVISION= 6
+PORTVERSION= 0.90
CATEGORIES= science
-MASTER_SITES= SF/${PORTNAME}/${PORTNAME}/${PORTNAME}-${PORTVERSION}
-EXTRACT_SUFX= -source.tgz
+MASTER_SITES= SF
+EXTRACT_SUFX= -src.tgz
MAINTAINER= ports@FreeBSD.org
COMMENT= Display and manipulation of isolated molecules and periodic systems
-LIB_DEPENDS= gtkglext-x11-1.0.0:${PORTSDIR}/x11-toolkits/gtkglext
+LICENSE= GPLv2 # (or later)
-USE_GL= yes
+LIB_DEPENDS= gtkglext-x11-1.0:${PORTSDIR}/x11-toolkits/gtkglext
+
+OPTIONS_DEFINE= DOCS
+
+USE_GL= glu
USE_GNOME= gtk20
USE_GMAKE= yes
-MAKEFILE= makefile
-MAKE_ARGS= CC="${CC}" CFLAGS="${CFLAGS}"
-ALL_TARGET= ${PORTNAME}
-
-CFLAGS+= -DINSTALL=\"\\\"${DATADIR}\\\"\"
+MAKEFILE= GNUmakefile
PORTDOCS= CHANGELOG README TODO
PLIST_FILES= bin/gdis %%DATADIR%%/gdis.elements %%DATADIR%%/gdis.library \
- %%DATADIR%%/gdis.manual
+ %%DATADIR%%/gdis.manual share/pixmaps/gdis.xpm
PLIST_DIRS= %%DATADIR%%
+DESKTOP_ENTRIES="GDIS" "Molecular modelling GUI" \
+ "${PREFIX}/share/pixmaps/gdis.xpm" "${PORTNAME}" "" true
+
+.include <bsd.port.options.mk>
+
+post-patch:
+ @${REINPLACE_CMD} -e \
+ 's|"\(gdis.elements\)|"../share/gdis/\1| ; \
+ s|"\(gdis.library\)|"../share/gdis/\1|' ${WRKSRC}/gdis.h
+ @${REINPLACE_CMD} -e \
+ 's|"\(gdis.manual\)|"../share/gdis/\1|' ${WRKSRC}/gui_help.c
+
+do-configure:
+ @${ECHO_CMD} -n \
+ > ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'USE_GUI=YES' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'USE_GRISU=NO' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'include makefile.src' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'CFLAGS:=$$(CFLAGS) -DWITH_GUI' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'INCS=`pkg-config --cflags gtkglext-1.0`' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'LIBS=`pkg-config --libs gtkglext-1.0`' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'OBJ=$$(SRC:.c=.o)' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'all: gdis' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} 'gdis: $$(OBJ)' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} ' $$(CC) $$(OBJ) $$(LDFLAGS) -o gdis $$(LIBS)' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} '.c.o:' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @${ECHO_CMD} ' $$(CC) $$(CFLAGS) -c $$< $$(INCS)' \
+ >> ${WRKSRC}/${MAKEFILE}
+ @(cd ${WRKSRC} && ${SED} -e 's|logo_right_81|gdis|' \
+ < logo_right.xpm > gdis.xpm)
+
do-install:
- ${INSTALL_PROGRAM} ${WRKSRC}/gdis ${PREFIX}/bin
+ (cd ${WRKSRC} && ${INSTALL_PROGRAM} gdis ${PREFIX}/bin)
+ (cd ${WRKSRC} && ${INSTALL_DATA} gdis.xpm ${PREFIX}/share/pixmaps)
@${MKDIR} ${DATADIR}
-.for file in gdis.elements gdis.library gdis.manual
- ${INSTALL_DATA} ${WRKSRC}/${file} ${DATADIR}
+.for i in gdis.elements gdis.library gdis.manual
+ (cd ${WRKSRC} && ${INSTALL_DATA} ${i} ${DATADIR})
.endfor
-.if !defined(NOPORTDOCS)
+.if ${PORT_OPTIONS:MDOCS}
@${MKDIR} ${DOCSDIR}
-.for file in CHANGELOG README TODO
- ${INSTALL_DATA} ${WRKSRC}/${file} ${DOCSDIR}
+.for i in ${PORTDOCS}
+ (cd ${WRKSRC} && ${INSTALL_DATA} ${i} ${DOCSDIR})
.endfor
.endif
diff --git a/science/gdis/distinfo b/science/gdis/distinfo
index f90d1a96b7de..dc355e7cf3cd 100644
--- a/science/gdis/distinfo
+++ b/science/gdis/distinfo
@@ -1,2 +1,2 @@
-SHA256 (gdis-0.89-source.tgz) = 594e9c199d1911e2b3d4da0a704e8cf14e7813c099e1bfdde294abb4895dfcec
-SIZE (gdis-0.89-source.tgz) = 829113
+SHA256 (gdis-0.90-src.tgz) = bbf9de62dc978199d8e13e10d009b03753cee1172dcb7f9ee54c8f96b652d890
+SIZE (gdis-0.90-src.tgz) = 1895353
diff --git a/science/gdis/files/patch-crystal_graph.c b/science/gdis/files/patch-crystal_graph.c
deleted file mode 100644
index d1f76909f64e..000000000000
--- a/science/gdis/files/patch-crystal_graph.c
+++ /dev/null
@@ -1,71 +0,0 @@
---- crystal_graph.c.orig Thu Nov 24 15:07:31 2005
-+++ crystal_graph.c Thu Nov 2 00:00:23 2006
-@@ -110,6 +110,9 @@
- gdouble run_gulp(GSList *cores, gchar *species)
- {
- struct model_pak *new_model, *result_model;
-+ gchar *cmd;
-+ gdouble result;
-+
- new_model = g_malloc(sizeof(struct model_pak));
- result_model = g_malloc(sizeof(struct model_pak));
-
-@@ -128,13 +131,13 @@
- new_model->periodic = 0;
-
- write_gulp(new_model->gulp.temp_file, new_model);
-- gchar * cmd = g_strdup_printf("%s < %s > %s", sysenv.gulp_path,
-+ cmd = g_strdup_printf("%s < %s > %s", sysenv.gulp_path,
- new_model->gulp.temp_file, new_model->gulp.out_file);
- system(cmd);
- g_free(cmd);
-
- read_gulp_output(new_model->gulp.out_file, result_model);
-- gdouble result = result_model->gulp.energy;
-+ result = result_model->gulp.energy;
- model_free(new_model);
- model_free(result_model);
-
-@@ -156,6 +159,9 @@
- gint b_images =(gint) model->monty.image_y + 0.5;
- gint c_images =(gint) model->monty.image_z + 0.5;
-
-+ gint nr_molecules;
-+ gdouble * single_energies;
-+
- /* checks */
- g_return_val_if_fail(sysenv.gulp_path != NULL, 4);
- g_return_val_if_fail(model != NULL, 1);
-@@ -165,7 +171,7 @@
- gui_text_show(ERROR, "Can not calculate a crystal graph for non crystalline models");
- return 3;
- }
-- gint nr_molecules = g_slist_length(model->moles);
-+ nr_molecules = g_slist_length(model->moles);
- /* initialize the key chunk to hold the maximum number of */
- key_chunk = g_mem_chunk_create(gint,
- nr_molecules * nr_molecules *(2*a_images+1)*(2*b_images+1)*(2*c_images+1),
-@@ -180,7 +186,7 @@
- type_dreiding_gasteiger(model, DREIDING);
-
- /* calculate the single energies */
-- gdouble * single_energies = g_new0(gdouble, nr_molecules);
-+ single_energies = g_new0(gdouble, nr_molecules);
-
- for (mol_iter = model->moles; mol_iter; mol_iter = mol_iter->next)
- {
-@@ -218,12 +224,13 @@
- if (pair != NULL)
- {
- gdouble *key_ptr;
-+ gchar * combination;
- key_ptr = g_chunk_new(gdouble, key_chunk);
- *key_ptr = run_gulp(pair, model->gulp.species);
- *key_ptr *= 96.48474; //eV --> kJ / mol
- *key_ptr -= single_energies[m1];
- *key_ptr -= single_energies[m2];
-- gchar * combination = g_strdup_printf(" %i - %i [ %i %i %i ]", m1+1, m2+1, x,y,z);
-+ combination = g_strdup_printf(" %i - %i [ %i %i %i ]", m1+1, m2+1, x,y,z);
- g_tree_insert(tree, key_ptr, combination);
- }
- }
diff --git a/science/gdis/files/patch-file_bgf.c b/science/gdis/files/patch-file_bgf.c
deleted file mode 100644
index 634868ed7248..000000000000
--- a/science/gdis/files/patch-file_bgf.c
+++ /dev/null
@@ -1,20 +0,0 @@
---- file_bgf.c.orig Thu Nov 24 13:58:48 2005
-+++ file_bgf.c Thu Nov 2 00:04:15 2006
-@@ -140,7 +140,7 @@
- gint read_bgf(gchar *filename, struct model_pak *data)
- {
- gint n=0, w, i, num_tokens;
-- gchar **buff, **buff2, line[LINELEN];
-+ gchar **buff, **buff2, line[LINELEN], *species_string;
- struct core_pak *core, *core_bond_to;
-
- GHashTable * atom_types_and_labels = g_hash_table_new_full(g_str_hash, g_str_equal, g_free, g_free);
-@@ -278,7 +278,7 @@
- }
-
- /* allocate 25 characters for each species line, that should be enough */
-- gchar * species_string = g_new(gchar, g_hash_table_size(atom_types_and_labels) * 25 );
-+ species_string = g_new(gchar, g_hash_table_size(atom_types_and_labels) * 25 );
- /* get all species from the hash table */
- g_hash_table_foreach(atom_types_and_labels, species_line_from_hash_table, &species_string);
-
diff --git a/science/gdis/files/patch-file_cgf.c b/science/gdis/files/patch-file_cgf.c
deleted file mode 100644
index 3ba1b617f06f..000000000000
--- a/science/gdis/files/patch-file_cgf.c
+++ /dev/null
@@ -1,69 +0,0 @@
---- file_cgf.c.orig Thu Nov 24 13:58:48 2005
-+++ file_cgf.c Thu Nov 2 00:10:25 2006
-@@ -188,7 +188,7 @@
- GSList *core_iter, *bond_iter;//,
- GSList *primary_cores = NULL;
- FILE *fp;
-- gint nr_primary_cores = 0, max_bonds = 0, bond_counter = 0, num_tokens = 0, offset_counter = 0;
-+ gint nr_primary_cores = 0, max_bonds = 0, bond_counter = 0, num_tokens = 0, offset_counter = 0, total_bonds = 0;
-
- gint *nr_bonds = g_new(gint, g_slist_length(data->cores));
-
-@@ -197,6 +197,9 @@
-
- gchar **buff;
-
-+ gdouble *bond_strengths;
-+ gint *bond_to_values, *bond_offsets;
-+
- /* checks and open file */
- g_return_val_if_fail(data != NULL, 1);
- fp = fopen(filename, "wt");
-@@ -208,8 +211,6 @@
- fprintf(fp, "alpha= %3.5f beta= %3.5f gamma= %3.5f\n", data->pbc[3] * R2D, data->pbc[4] * R2D, data->pbc[5] * R2D);
- fprintf(fp, "Spacegroup information: SPGR = %-24s OPT = %i\n", data->sginfo.spacename, data->sginfo.cellchoice);
-
-- gint total_bonds = 0;
--
- for (core_iter = data->cores; core_iter; core_iter = core_iter->next)
- {
- core = (struct core_pak *)core_iter->data;
-@@ -229,9 +230,9 @@
- }
- }
-
-- gdouble * bond_strengths = g_new0(gdouble, total_bonds);
-- gint * bond_to_values = g_new0(gint, total_bonds);
-- gint * bond_offsets = g_new0(gint, total_bonds * 3);
-+ bond_strengths = g_new0(gdouble, total_bonds);
-+ bond_to_values = g_new0(gint, total_bonds);
-+ bond_offsets = g_new0(gint, total_bonds * 3);
-
- fprintf(fp, "Nr of centres of mass: %i\n", nr_primary_cores);
- fprintf(fp, "Maximum connectivity: %i\n", max_bonds);
-@@ -280,6 +281,8 @@
- gint *bondto;
- gdouble *bond_offsets;
- gdouble *bond_strengths;
-+
-+ gint bondto_counter = 0, bond_offsets_counter = 0, total_bonds = 0;
-
- /* checks */
- g_return_val_if_fail(data != NULL, 1);
-@@ -366,8 +369,6 @@
- bond_offsets = g_new(gdouble, nr_bond_lines * num_gu * 15);
- //bond_strengths = g_new(gdouble, nr_bond_lines * num_gu * 5);
-
-- gint bondto_counter = 0, bond_offsets_counter = 0;
--
- /* create GUs a priori */
- for (n = 0; n < num_gu; ++n)
- {
-@@ -442,7 +443,6 @@
- fgetline(fp, line);
- }
-
-- gint total_bonds = 0;
- /* now we create new cores for each bond */
- w = 0;
- for (n = 0; n < num_gu; ++n)
diff --git a/science/gdis/files/patch-grid.c b/science/gdis/files/patch-grid.c
new file mode 100644
index 000000000000..81b00d3d591d
--- /dev/null
+++ b/science/gdis/files/patch-grid.c
@@ -0,0 +1,20 @@
+--- grid.c.orig
++++ grid.c
+@@ -58,7 +58,7 @@
+ if (grid_table)
+ g_hash_table_replace(grid_table, g_strdup(name), g_strdup(value));
+ #else
+-return(NULL);
++return;
+ #endif
+ }
+
+@@ -80,7 +80,7 @@
+ if (grid_table)
+ g_hash_table_remove(grid_table, name);
+ #else
+-return(NULL);
++return;
+ #endif
+ }
+
diff --git a/science/gdis/files/patch-gui_monty.c b/science/gdis/files/patch-gui_monty.c
deleted file mode 100644
index 84c29b055ce5..000000000000
--- a/science/gdis/files/patch-gui_monty.c
+++ /dev/null
@@ -1,37 +0,0 @@
---- gui_monty.c.orig Thu Nov 24 13:58:48 2005
-+++ gui_monty.c Thu Nov 2 00:13:29 2006
-@@ -492,6 +492,7 @@
- FILE *fp;
- struct model_pak *model = data;
- gchar *last_dirsep, *yes, *no;
-+ gchar **hkls, **supersats, **out_dirs;
- gint i;
-
- yes = g_strdup("yes");
-@@ -513,7 +514,7 @@
- g_strstrip(model->monty.hkls);
-
- /* split the string by endline characters */
-- gchar **hkls = g_strsplit(model->monty.hkls, "\n", INT_MAX);
-+ hkls = g_strsplit(model->monty.hkls, "\n", INT_MAX);
-
- /* print all hkl values to the file */
- for (i = 0; *(hkls+i); ++i)
-@@ -523,7 +524,7 @@
-
- /* remove any whitespace, this also includes trailing \n characters */
- g_strstrip(model->monty.supersaturations);
-- gchar **supersats = g_strsplit(model->monty.supersaturations, "\n", INT_MAX);
-+ supersats = g_strsplit(model->monty.supersaturations, "\n", INT_MAX);
- for (i = 0; *(supersats+i); ++i)
- {
- fprintf(fp, " -supersat %s\n", *(supersats +i));
-@@ -551,7 +552,7 @@
-
- /* remove any whitespace, this also includes trailing \n characters */
- g_strstrip(model->monty.output_dirs);
-- gchar **out_dirs = g_strsplit(model->monty.output_dirs, "\n", INT_MAX);
-+ out_dirs = g_strsplit(model->monty.output_dirs, "\n", INT_MAX);
- for (i = 0; *(out_dirs + i); ++i)
- {
- fprintf(fp, " -directory %s %s\n", *(hkls + i), *(out_dirs + i));
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/ ?
diff --git a/science/gdis/files/patch-main.c b/science/gdis/files/patch-main.c
deleted file mode 100644
index 221909b316a3..000000000000
--- a/science/gdis/files/patch-main.c
+++ /dev/null
@@ -1,32 +0,0 @@
---- main.c.orig Wed Jul 26 15:15:28 2006
-+++ main.c Wed Nov 1 23:53:11 2006
-@@ -364,7 +364,7 @@
- void sys_init(gint argc, gchar *argv[])
- {
- gchar *temp;
--const gchar *ctemp;
-+const gchar *envdir, *ctemp;
- struct light_pak *light;
- FILE *fp;
-
-@@ -500,7 +500,7 @@
-
- /* setup directory and file pointers */
- sysenv.cwd = g_get_current_dir();
--const gchar *envdir = g_getenv("GDIS_START_DIR");
-+envdir = g_getenv("GDIS_START_DIR");
- if (envdir)
- sysenv.cwd = (gchar *) envdir;
-
-@@ -510,7 +510,11 @@
-
- /* generate element file full pathname */
- /* sometimes this returns the program name, and sometimes it doesn't */
-+#ifdef INSTALL
-+temp = g_strdup(INSTALL);
-+#else
- temp = g_find_program_in_path(argv[0]);
-+#endif
- /* remove program name (if attached) */
- if (g_file_test(temp, G_FILE_TEST_IS_DIR))
- sysenv.gdis_path = temp;
diff --git a/science/gdis/files/patch-module.c b/science/gdis/files/patch-module.c
deleted file mode 100644
index b47419741de7..000000000000
--- a/science/gdis/files/patch-module.c
+++ /dev/null
@@ -1,10 +0,0 @@
---- module.c.orig Tue Jun 15 16:05:21 2004
-+++ module.c Mon Jul 5 05:01:06 2004
-@@ -23,6 +23,7 @@
- #include <stdio.h>
- #include <string.h>
- #include <stdlib.h>
-+#include <sys/types.h>
- #include <gmodule.h>
-
- #include "gdis.h"
diff --git a/science/gdis/files/patch-molsurf.c b/science/gdis/files/patch-molsurf.c
deleted file mode 100644
index 3f9b741f653b..000000000000
--- a/science/gdis/files/patch-molsurf.c
+++ /dev/null
@@ -1,22 +0,0 @@
---- molsurf.c.orig Mon Jun 19 17:42:29 2006
-+++ molsurf.c Wed Nov 1 23:55:43 2006
-@@ -745,7 +745,7 @@
- gdouble Dx, Dy, Dz; /* gradient */
- gdouble temp[3]; /* the dreaded temporary variable */
- gdouble theta, sinTheta, cosTheta;
--gfloat hue, red, green, blue;
-+gfloat hue, red, green, blue, colourRange, hueStep;
- time_t jobStartTime;
-
- #if DEBUG_SHAPE
-@@ -761,9 +761,7 @@
- #endif
-
- /* setup for colours */
-- gfloat colourRange= 256;
-- gfloat hueStep;
--
-+ colourRange= 256;
- hueStep = 240/colourRange;
-
-