VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Apr 28 2020 - 11:18:49 CDT

Hi,
  With the compiler toolchain versions I have, these patches aren't
sufficient, as I still have many errors in tessel_concave.c and other
files. The majority of the Surf code needs to be corrected by
adding the function prototypes that are missing. It's easy work,
but it's a game of whack-a-mole that I don't have time for until later
in the week after other deadlines.

Best,
  John

On Tue, Apr 28, 2020 at 12:07:10PM +0200, FX wrote:
> Hi John,
>
> > The Surf code is written in K&R C (not even early 90s ANSI C) and this
> > has presented a problem for compiling the binary on MacOS X Catalina that
> > I haven't resolved yet.
>
> I can compile Surf on recent macOS (Catalina, clang from latest Xcode) simply with the attached changes to 5 prototypes, adding a couple of ???void??? where needed, and providing 3 function declarations ahead of time.
>
> FX
>

> diff -pu surf.orig/compute.c surf/compute.c
> --- surf.orig/compute.c 1994-03-22 16:18:07.000000000 +0100
> +++ surf/compute.c 2019-12-05 14:23:49.000000000 +0100
> @@ -23,6 +23,10 @@ Vector Bounding_Tetra[4];
> double Extents[3][2];
> short Neighbor_list[MAX_CONSTRAINT];
>
> +void find_tes_origin(int, Vector *);
> +void compute_components(int, Vector *);
> +void find_components(int, Vector *);
> +
> /*---------------------------------------------------------------------------------
> init_and_compute initializes the data structures and starts off the computation.
> ----------------------------------------------------------------------------------*/
> @@ -202,7 +206,7 @@ compute_bounding_tetra()
> compute_components is in some sense the central routine. This makes calls to others
> for computing the surface.
> ----------------------------------------------------------------------------------*/
> -compute_components(atom_id, constraints)
> +void compute_components(atom_id, constraints)
> int atom_id;
> Vector *constraints;
> {
> @@ -582,7 +586,7 @@ find_components identifies the arcs form
> with the extended-radius sphere of atom atom_id and accordingly makes appropriate
> calls to generates the patches.
> ----------------------------------------------------------------------------------*/
> -find_components(atom_id, cons)
> +void find_components(atom_id, cons)
> int atom_id;
> Vector *cons;
> {
> @@ -627,7 +631,7 @@ This assumes that int_pts, end_pts, etc,
> (the origin of the system is the center of the atom atom_id).
> This returns tes_origin in global coord system.
> ----------------------------------------------------------------------------------*/
> -find_tes_origin(atom_id, cons)
> +void find_tes_origin(atom_id, cons)
> int atom_id;
> Vector *cons;
> {
> diff -pu surf.orig/tessel_convex.c surf/tessel_convex.c
> --- surf.orig/tessel_convex.c 1994-03-21 10:33:09.000000000 +0100
> +++ surf/tessel_convex.c 2019-12-05 14:25:07.000000000 +0100
> @@ -15,7 +15,7 @@ gen_convex generates convex spherical pa
> regular atom surface.
> Here, p = sph_pts, q = tor_pts
> ----------------------------------------------------------------------------------*/
> -gen_convex(comp_verts, p, probe_centers, q, num_p, num_q, same_order, flip, atom_id, full_torus)
> +void gen_convex(comp_verts, p, probe_centers, q, num_p, num_q, same_order, flip, atom_id, full_torus)
> POINT *comp_verts, *probe_centers;
> VertexType *p, *q;
> int num_p, num_q;
> diff -pu surf.orig/utils.c surf/utils.c
> --- surf.orig/utils.c 1994-03-21 10:33:15.000000000 +0100
> +++ surf/utils.c 2019-12-05 14:24:32.000000000 +0100
> @@ -76,7 +76,7 @@ find_ray_sphere_int computes the inters
> uses method given in Graphics Gems I, pp 388-389.
> the direction vector of the ray need not be normalized.
> ----------------------------------------------------------------------------------*/
> -find_ray_sphere_int(int_point, ray_pt, ray_dir, center, radius)
> +void find_ray_sphere_int(int_point, ray_pt, ray_dir, center, radius)
> float int_point[3], center[3];
> float ray_pt[3], ray_dir[3];
> float radius; 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/