Update MacOS compile process

MacOS.patch

@@ -15,7 +15,7 @@ diff -c -r ./src/VisDrawer.cpp ../p4vasp-0.3.31/src/VisDrawer.cpp
  #include <p4vasp/Exceptions.h>
  #include <stdio.h>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
 
  const char *VisDrawer::getClassName(){return "VisDrawer";}
 
@@ -35,7 +35,7 @@ diff -c -r ./src/VisIsosurfaceDrawer.cpp ../p4vasp-0.3.31/src/VisIsosurfaceDrawe
  #include <p4vasp/VisIsosurfaceDrawer.h>
  #include <math.h>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include <stdio.h>
  #include <string.h>
  #include <p4vasp/vecutils.h>
@@ -55,7 +55,7 @@ diff -c -r ./src/VisMain.cpp ../p4vasp-0.3.31/src/VisMain.cpp
  #include <FL/Fl.H>
  #include <FL/Fl_Gl_Window.H>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include <p4vasp/VisFLWindow.h>
 
  THREAD(Vis_thread);
@@ -75,7 +75,7 @@ diff -c -r ./src/VisNavDrawer.cpp ../p4vasp-0.3.31/src/VisNavDrawer.cpp
  #include <p4vasp/VisNavDrawer.h>
  #include <FL/Fl.H>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include <p4vasp/vecutils.h>
  #include <p4vasp/Exceptions.h>
 
@@ -95,7 +95,7 @@ diff -c -r ./src/VisPrimitiveDrawer.cpp ../p4vasp-0.3.31/src/VisPrimitiveDrawer.
  #include <p4vasp/VisPrimitiveDrawer.h>
  #include <math.h>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include <stdio.h>
  #include <p4vasp/Exceptions.h>
 
@@ -115,7 +115,7 @@ diff -c -r ./src/VisStructureArrowsDrawer.cpp ../p4vasp-0.3.31/src/VisStructureA
  #include <p4vasp/VisStructureArrowsDrawer.h>
  #include <math.h>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include <stdio.h>
  #include <string.h>
  #include <p4vasp/vecutils.h>
@@ -135,7 +135,7 @@ diff -c -r ./src/VisStructureDrawer.cpp ../p4vasp-0.3.31/src/VisStructureDrawer.
  #include <p4vasp/VisStructureDrawer.h>
  #include <math.h>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include <stdio.h>
  #include <p4vasp/vecutils.h>
  #include <p4vasp/VisBackEvent.h>
@@ -183,7 +183,7 @@ diff -c -r ./src/include/p4vasp/VisFLWindow.h ../p4vasp-0.3.31/src/include/p4vas
 
  #include <FL/Fl_Gl_Window.H>
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include "VisWindow.h"
 
  class VisFLWindow : public Fl_Gl_Window{
@@ -203,7 +203,7 @@ diff -c -r ./src/include/p4vasp/VisIsosurfaceDrawer.h ../p4vasp-0.3.31/src/inclu
  #include "Chgcar.h"
  #include "threads.h"
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
 
  #ifndef VisWindow
  class VisWindow;
@@ -223,7 +223,7 @@ diff -c -r ./src/include/p4vasp/VisPrimitiveDrawer.h ../p4vasp-0.3.31/src/includ
  #include "VisDrawer.h"
  #include "threads.h"
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
 
  #ifndef VisWindow
  class VisWindow;
@@ -243,7 +243,7 @@ diff -c -r ./src/include/p4vasp/VisStructureArrowsDrawer.h ../p4vasp-0.3.31/src/
  #include "VisStructureDrawer.h"
  #include "threads.h"
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
 
  #ifndef VisWindow
  class VisWindow;
@@ -263,7 +263,7 @@ diff -c -r ./src/include/p4vasp/VisStructureDrawer.h ../p4vasp-0.3.31/src/includ
  #include "VisPrimitiveDrawer.h"
  #include "threads.h"
  #include <FL/gl.h>
-! #include <openGL/glu.h>
+! #include <OpenGL/glu.h>
  #include "AtomInfo.h"
  #include "Structure.h"
 

Makefile.MacOS

@@ -43,9 +43,9 @@ P4V = p4v
 
 all: p4vasp
 local:
- cd install && python configure.py local
+ cd install && python2 configure.py local
 config:
- cd install && python configure.py
+ cd install && python2 configure.py
 p4vasp: p4vasp_config uninstallsh appletlist
  cd odpdom && $(MAKE) libODP.a
  cd src && $(MAKE)
@@ -67,9 +67,9 @@ launcher:
  echo "#export APPMENU_DISPLAY_BOTH=1" >>$(P4V)
  echo "export UBUNTU_MENUPROXY=0" >>$(P4V)
  echo "export P4VASP_HOME="$(P4VASP_HOME) >> $(P4V)
- echo "exec python "$(BINDIR)"/p4v.py \"\$$@\"" >>$(P4V)
+ echo "exec python2 "$(BINDIR)"/p4v.py \"\$$@\"" >>$(P4V)
 appletlist:
- cd install && python makeappletlist.py
+ cd install && python2 makeappletlist.py
 bashrc:setenvironment
  echo "" >> ~/.bashrc
  cat $(SETENVIRONMENT) >> ~/.bashrc

README

@@ -120,4 +120,3 @@ odpdom/COPYING).
 This package as well may contain other packages (in ext directory) under various open-source licenses:
 fltk (www.fltk.org), sqlite (www.sqlite.org) and pysqlite (code.google.com/p/pysqlite).
 These packages are provided for convenience only to make the installation easier.
-

README.MacOS

@@ -1,28 +1,50 @@
 p4vasp compillation in MacOS:
-(Tested on Mac OS 10.13.4, all updates installed.)
+(Tested on Mac OS 10.14.4 by Chengcheng-Xiao, all updates installed. )
+(Contact me by E-mail : iconxicon@me.com )
+( or Github : https://github.com/orest-d/p4vasp/issues/ ) 
+
 
 0) You will need X11 and the command-line tools for Xcode installed.
  For Xquratz, visit: https://www.xquartz.org/
  For command-line tools: $ xcode-select --install
+ To install header file: install /Library/Developer/CommandLineTools/Packages/macOS_SDK_headers_for_macOS_10.14.pkg by double click.
 
 
 1) For FLTK installation, we use homebrew's fltk:
  Install homebrew: $ /usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)" 
+ update homebrew: $ brew update
  Install fltk: $ brew install fltk
 
-2) Install other necessary library: $ brew install python@2 pip gcc gtk+ pygtk —with-libglade && pip install pyopengl numpy
+
+2) Install other necessary library: $ brew install python@2 
+ $ pip install pyopengl numpy
+ $ brew install gcc@7
+ $ brew install gtk+ 
+ $ brew install --build-from-source ./pygtk.rb —-with-libglade 
+
+(*)Note that homebrew team are deleting all formula options to avoid compilation. 
+(*)In one merged pull request (#35732) they deleted the libglade support.
+(*)Please use the provided formula file pygtk.rb to install pygtk.
+
 
 3) Apply patch to the sourcefile: $ patch -p0 -i MacOS.patch
 
+
 5) Copy the Makefile.MacOS to Makefile in the p4vasp root directory and in the src
  directory:
  $ cp Makefile.MacOS Makefile
  $ cp odpdom/Makefile.MacOS odpdom/Makefile
  $ cp src/Makefile.MacOS src/Makefile 
 
+
 6) Run make and install:
  make local && make && make install
 
-7) The executable should located at ~/p4vasp/bin
 
+7) The executable should located at ~/p4vasp/bin
+ you can put it in your PATH by:
+ $ export PATH=~/p4vasp/bin:$PATH
 
+Known bugs:
+(1). Close window directly can causes froze-window. FIX: Uses exit option under Files.
+(2). Buttons can be unresponsive sometimes. FIX: try wait a while.....

README.md

@@ -113,11 +113,11 @@ Installation (MacOS)
  $ brew install fltk
 ```
 
-3) Install other necessary library: 
+3) Install other necessary library:
 ```
  $ brew install python@2 pip gcc gtk+ pygtk —with-libglade && pip install pyopengl numpy
 ```
-4) Apply patch to the sourcefile: 
+4) Apply patch to the sourcefile:
 ```
  $ patch -p0 -i MacOS.patch
 ```
@@ -134,7 +134,14 @@ Installation (MacOS)
 7) The executable should located at `~/p4vasp/bin`
 
 
-
+VASP (version 5.4.4+) update
+--------------------------
+In VASP version 5.4.4, the projection label `dx2` for dx2-y2 orbital changed to `x2-y2`.
+(0) Apply patch to the source files:
+```
+ $ patch -p0 -i 544_update.patch
+```
+Note: This fix is not backward compatible.
 
 Starting:
 --------------------------
@@ -160,5 +167,3 @@ odpdom/COPYING).
 This package as well may contain other packages (in ext directory) under various open-source licenses:
 [fltk](www.fltk.org), [sqlite](www.sqlite.org) and [pysqlite](code.google.com/p/pysqlite).
 These packages are provided for convenience only to make the installation easier.
-
-

odpdom/Makefile.MacOS

@@ -9,7 +9,7 @@ FLAGS = -DPY_DOMEXC_MODULE="\"xml.dom.\""
 # -DNO_POS_CACHE
 # -DNO_THROW
 
-PYINCLUDE=`python -c "import sys;import os.path;print os.path.join(sys.prefix,\"include\",\"python\"+sys.version[:3])"`
+PYINCLUDE=`python2 -c "import sys;import os.path;print os.path.join(sys.prefix,\"include\",\"python\"+sys.version[:3])"`
 CFLAGS += -fpic -g $(FLAGS) -I$(PYINCLUDE) -Iinclude
 
 SWIGFLAGS = -python -c++ $(FLAGS)

pygtk.rb

@@ -0,0 +1,41 @@
+class Pygtk < Formula
+ desc "GTK+ bindings for Python"
+ homepage "http://www.pygtk.org/"
+ url "https://download.gnome.org/sources/pygtk/2.24/pygtk-2.24.0.tar.bz2"
+ sha256 "cd1c1ea265bd63ff669e92a2d3c2a88eb26bcd9e5363e0f82c896e649f206912"
+ revision 2
+
+ bottle do
+ cellar :any
+ sha256 "6aa04785bcbf9c1e79a268b27263ce61dbfa64cb21023c426b70ead3b6671689" => :mojave
+ sha256 "228a919cbba58afc99747e9b5dc6d01013ef8463de2ede5d81c20103afccbb9f" => :high_sierra
+ sha256 "fce76d2bf1e1748ac110aede98a622e5f8b737390a3a5e22f56872834b73c033" => :sierra
+ sha256 "fd1cef5484267e02971c4daa1eda42e3a66c77786923b0f76b496007282b10a1" => :el_capitan
+ end
+
+ depends_on "pkg-config" => :build
+ depends_on "atk"
+ depends_on "glib"
+ depends_on "gtk+"
+ depends_on "py2cairo"
+ depends_on "pygobject"
+ depends_on "libglade" => :optional
+
+ def install
+ ENV.append "CFLAGS", "-ObjC"
+ system "./configure", "--disable-dependency-tracking",
+ "--prefix=#{prefix}"
+ system "make", "install"
+
+ # Fixing the pkgconfig file to find codegen, because it was moved from
+ # pygtk to pygobject. But our pkgfiles point into the cellar and in the
+ # pygtk-cellar there is no pygobject.
+ inreplace lib/"pkgconfig/pygtk-2.0.pc", "codegendir=${datadir}/pygobject/2.0/codegen", "codegendir=#{HOMEBREW_PREFIX}/share/pygobject/2.0/codegen"
+ inreplace bin/"pygtk-codegen-2.0", "exec_prefix=${prefix}", "exec_prefix=#{Formula["pygobject"].opt_prefix}"
+ end
+
+ test do
+ (testpath/"codegen.def").write("(define-enum asdf)")
+ system "#{bin}/pygtk-codegen-2.0", "codegen.def"
+ end
+end