xcrysden-homebrew.patch

diff -rupN xcrysden-1.5.60/F/gengeom.f myxcrysden-1.5.60/F/gengeom.f
--- xcrysden-1.5.60/F/gengeom.f	2012-02-03 18:53:05.000000000 +0800
+++ myxcrysden-1.5.60/F/gengeom.f	2018-08-03 14:41:35.000000000 +0800
@@ -905,7 +905,7 @@ C     DETERMINE HOW MENY ATOMS WILL BE I
 
       SUBROUTINE GETCCOOR(A33,B33,BROW,X,Y,Z,XC,YC,ZC,NA,NATR)
       include 'param.inc'
-      REAL*8 B33(3,4),A33(3,3),RA(3,3),COOR(3),X(NATR),Y(NATR),Z(NATR),
+      REAL*8 B33(3,*),A33(3,3),RA(3,3),COOR(3),X(NATR),Y(NATR),Z(NATR),
      *     XC(NAC,4),YC(NAC,4),ZC(NAC,4),RX(3)
       INTEGER BROW

diff -rupN xcrysden-1.5.60/Tcl/Viewer.tcl myxcrysden-1.5.60/Tcl/Viewer.tcl
--- xcrysden-1.5.60/Tcl/Viewer.tcl	2012-02-13 21:52:33.000000000 +0800
+++ myxcrysden-1.5.60/Tcl/Viewer.tcl	2018-05-01 12:35:54.000000000 +0800
@@ -480,7 +480,7 @@ proc PlaceGlobWin {type w h} {
 			 -double         true  \
 			 -depth          true  \
 			 -depthsize      1     \
-			 -accum          true  \
+			 -accum          false \
 			 -accumredsize   1     \
 			 -accumgreensize 1     \
 			 -accumbluesize  1     \
diff -rupN xcrysden-1.5.60/Tcl/fs/FS_Main.tcl myxcrysden-1.5.60/Tcl/fs/FS_Main.tcl
--- xcrysden-1.5.60/Tcl/fs/FS_Main.tcl	2012-02-14 17:58:31.000000000 +0800
+++ myxcrysden-1.5.60/Tcl/fs/FS_Main.tcl	2018-05-01 12:35:54.000000000 +0800
@@ -111,7 +111,7 @@ proc FS_GoFermi {{spin {}}} {
 		    -double         true  \
 		    -depth          true  \
 		    -depthsize      1     \
-		    -accum          true  \
+		    -accum          false \
 		    -accumredsize   1     \
 		    -accumgreensize 1     \
 		    -accumbluesize  1     \
@@ -1356,4 +1356,4 @@ proc FSbutton_SmallToolbox {button i spi
 	    FS_fsConfig $i $spin	    
 	}
     }
-}
\ No newline at end of file
+}
diff -rupN xcrysden-1.5.60/Tcl/fs/FS_Multi.tcl myxcrysden-1.5.60/Tcl/fs/FS_Multi.tcl
--- xcrysden-1.5.60/Tcl/fs/FS_Multi.tcl	2012-02-14 16:45:09.000000000 +0800
+++ myxcrysden-1.5.60/Tcl/fs/FS_Multi.tcl	2018-05-01 12:35:54.000000000 +0800
@@ -57,7 +57,7 @@ proc FS_Multi {nb {spin {}}} {
 			       -double         true  \
 			       -depth          true  \
 			       -depthsize      1     \
-			       -accum          true  \
+			       -accum          false \
 			       -accumredsize   1     \
 			       -accumgreensize 1     \
 			       -accumbluesize  1     \
diff -rupN xcrysden-1.5.60/Tcl/stereo.tcl myxcrysden-1.5.60/Tcl/stereo.tcl
--- xcrysden-1.5.60/Tcl/stereo.tcl	2012-02-03 18:53:05.000000000 +0800
+++ myxcrysden-1.5.60/Tcl/stereo.tcl	2018-05-01 12:35:54.000000000 +0800
@@ -9,7 +9,7 @@ proc check_stereo {} {
 		  -double         true  \
 		  -depth          true  \
 		  -depthsize      1     \
-		  -accum          true  \
+		  -accum          false \
 		  -accumredsize   1     \
 		  -accumgreensize 1     \
 		  -accumbluesize  1     \
@@ -33,4 +33,4 @@ proc check_stereo {} {
     }
  
     destroy $togl
-}
\ No newline at end of file
+}
diff -rupN xcrysden-1.5.60/system/Make.macosx-x11 myxcrysden-1.5.60/system/Make.macosx-x11
--- xcrysden-1.5.60/system/Make.macosx-x11	2014-06-25 23:02:25.000000000 +0800
+++ myxcrysden-1.5.60/system/Make.macosx-x11	2018-05-01 12:38:51.000000000 +0800
@@ -1,27 +1,6 @@
 #########################################################################
 #
-# System-dependent definitions for Mac OS X using Mesa and "unix-like"
-# Tcl/Tk.
-#
-# Mike Ford 12/03/04
-# University of Technology, Sydney
-#
-# Updated by Tone on Mon Dec 22 2008
-#
-# -----------------------------------------------------------------------
-#
-# !!! EDIT ACCORDING TO YOUR OWN NEEDS !!!
-#
-# -----------------------------------------------------------------------
-#
-# BEWARE: The Apple X11 libraries don't work, but XCrySDen still runs
-# under the Apple X11 window server. Please link with the Darwin X
-# libraries instead. 
-# See: http://ftp.xfree86.org/pub/XFree86/4.4.0/binaries/Darwin-ppc-7.x/
-# You need to download the following packages:
-#
-# Xprog.tgz ... for static X11 and OpenGL libraries
-# Xbin.tgz  ... for dynamic X11 and OpenGL libraries
+# System-dependent definitions for Mac OS X and Homebrew
 #
 ########################################################################
 
@@ -34,13 +13,13 @@ MAKE = make
 #------------------------------------------------------------------------
 # compilers & flags
 #------------------------------------------------------------------------
-CFLAGS = -funroll-loops -fPIC -DTOGL_USE_FONTS -DHAVE_NO_GETLINE
+CFLAGS = -O2 -fPIC -DTOGL_USE_FONTS -DHAVE_NO_GETLINE -DUSE_INTERP_RESULT
 CC     = gcc
 #LDLIB  = -ldl
 MATH   = -lm
 
-FFLAGS = 
-FC     = g77 -O2
+FFLAGS = -O2 
+FC     = gfortran
 
 
 #------------------------------------------------------------------------
@@ -51,7 +30,7 @@ FC     = g77 -O2
 
 # NOTE: Use the XDarwin server instead of Apple's Xserver
 
-DARWIN_X11_PREFIX = /usr/X11R6-darwin
+DARWIN_X11_PREFIX = /opt/X11
 X_LIB     = -L$(DARWIN_X11_PREFIX)/lib -lXmu -lX11 -lXext
 X_INCDIR  = -I$(DARWIN_X11_PREFIX)/include
 
@@ -60,15 +39,19 @@ X_INCDIR  = -I$(DARWIN_X11_PREFIX)/inclu
 # Libraries and include files
 #------------------------------------------------------------------------
 
+COMPILE_TCLTK = no
+COMPILE_MESA = no
+
 #
 # Libraries (use .a for static and .dylib for dynamic libraries)
 #
 # BEWARE: must use the darwin OpenGL libraries
-TCL_LIB      = -ltcl8.5.dylib
-TK_LIB       = -ltk8.5.dylib
-GLU_LIB      = -L$(DARWIN_X11_PREFIX)/lib -lGLU.dylib
-GL_LIB       = -lGL.dylib
-FFTW3_LIB    = -lfftw3.dylib
+TCL_VER      = $(shell /usr/local/bin/brew list tcl-tk-x11 --versions | sed 's/tcl-tk-x11\ \([0-9.]*\)[a-z.][0-9]*/\1/g')
+TCL_LIB      = -L/usr/local/opt/tcl-tk-x11/lib -ltcl$(TCL_VER)
+TK_LIB       = -L/usr/local/opt/tcl-tk-x11/lib -ltk$(TCL_VER)
+GLU_LIB      = -L$(DARWIN_X11_PREFIX)/lib -lGLU
+GL_LIB       = -L$(DARWIN_X11_PREFIX)/lib -lGL
+FFTW3_LIB    = -lfftw3
 # this is only used for some testing purposes
 #MESCHACH_LIB = -lmeschach.dylib
 
@@ -76,16 +59,11 @@ FFTW3_LIB    = -lfftw3.dylib
 #
 # Include directories (set accoring to your needs)
 #
-TCL_INCDIR  = \
-	-I/Library/Frameworks/Tcl.framework/Versions/8.5/Headers \
-	-I/Library/Frameworks/Tcl.framework/Versions/8.5/PrivateHeaders
-TK_INCDIR   = \
-	-I/Library/Frameworks/Tk.framework/Versions/8.5/Headers \
-	-I/Library/Frameworks/Tk.framework/Versions/8.5/PrivateHeaders
-GL_INCDIR   = \
-	-I$(DARWIN_X11_PREFIX)/include
+TCL_INCDIR  = -I/usr/local/opt/tcl-tk-x11/include
+TK_INCDIR   = -I/usr/local/opt/tcl-tk-x11/include
+GL_INCDIR   = -I$(DARWIN_X11_PREFIX)/include
 
-FFTW3_INCDIR    =
+FFTW3_INCDIR    = -I/usr/local/include
 # this is only used for some testing purposse
 #MESCHACH_INCDIR =

Hi @agiliopadua, I have tried dev version (8.7a) and system version (8.5.9) of tcl/tk for compiling, all of them successfully build, but no one works.

My attempts in my folk: xcrysden-homebrew.patch

with the same error:

5156 Segmentation fault: 11  ${XCRYSDEN_XCRYS_DIR}/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH "$@" > /dev/null

I think maybe some modification is needed for the Tcl folder.

Hi @specter119, is there any news on this? I am facing exactly the same error