Kyle
2018-05-01T02:23:09Z

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 = /usr/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 =