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	v1_0:1.1.1.1
	MIYAMOTO:1.1.1;
locks; strict;
comment	@# @;


1.3
date	2007.01.09.02.37.43;	author maho;	state Exp;
branches;
next	1.2;

1.2
date	99.06.19.10.23.07;	author cpiazza;	state Exp;
branches;
next	1.1;

1.1
date	99.05.06.08.22.13;	author taoka;	state Exp;
branches
	1.1.1.1;
next	;

1.1.1.1
date	99.05.06.08.22.13;	author taoka;	state Exp;
branches;
next	;


desc
@@


1.3
log
@* Add dummy knob WANT_FORTRAN for future gfortran
  migration. currently it is not buildable with gfrotran42.
* Honor FC and FFLAGS.
@
text
@--- src/Makefile.orig	Sat May 25 04:04:15 1991
+++ src/Makefile	Tue Jan  9 11:30:09 2007
@@@@ -27,11 +27,11 @@@@
 # level and when it is working, increase the optimization level.  So far
 # optimization has never caused problems with this program.
 #
-# SGI 4D series flags
+# FreeBSD
 #
-f77 = f77
-FFLAGS = -w0 -O4 -G 64
-LFLAGS = -lfastm -lfpe -s
+FC = %%FC%%
+FFLAGS = %%FFLAGS%%
+#LFLAGS = -lfastm -lfpe -s
 #
 # SUN Sparc series flags version 1.3 or later compiler
 #
@@@@ -60,12 +60,12 @@@@
 #  Place your G88/G90 util library definition here if you wish to 
 #  compile chk2psi
 #
-G90LIB = /usr/people/frisch/g90/libg90.a
+#G90LIB = /usr/people/frisch/g90/libg90.a
 #
 # define the directory where the executables will reside
 # usually /usr/local/bin or ~/bin to put it in your own directory
 #
-BIN = /usr/local/bin
+BIN = %%PREFIX%%/bin
 #  
 #**** Add PSI2 to this and the install lists if you have a user defined
 #     Plotting library to plot to the screen, also remove any which you 
@@@@ -84,13 +84,15 @@@@
 #######################################################################
 #
 
- all:  PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
+# all:  PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
+ all:  PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS)
 
 #
 # Install in the executable directory - may need to be superuser
 # depending on where you decide to put it (/usr/local/bin for instance)
 #
-install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
+#install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
+install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS)
 	mv PSI1 $(BIN)
 	chmod +rx $(BIN)/PSI1
 	mv PSICON $(BIN)
@@@@ -99,71 +101,71 @@@@
 	chmod +rx $(BIN)/PREPLOT
 	mv PSI2* $(BIN)
 	chmod +rx $(BIN)/PSI2*
-	mv chk2psi $(BIN)
-	chmod +rx $(BIN)/chk2psi
+#	mv chk2psi $(BIN)
+#	chmod +rx $(BIN)/chk2psi
 
 #
 # This is the Density matrix generation program (PSI1/88)
 #
  PSI1: psi1.f 
-	f77 $(FFLAGS) psi1.f -o PSI1 $(LFLAGS)
+	%%FC%% $(FFLAGS) psi1.f -o PSI1 $(LFLAGS)
 
 #
 # This is the contour generation program (PSICON/88)
 # 
  PSICON: psicon.f
-	f77 $(FFLAGS) psicon.f -o PSICON $(LFLAGS)
+	%%FC%% $(FFLAGS) psicon.f -o PSICON $(LFLAGS)
 
 #
 # This is for the plotting routine (PSI2/88) to a user defined graphics lib
 #
  PSI2: psi2.f
-	f77 $(FFLAGS) psi2.f -o PSI2 $(GRLIBS) $(LFLAGS)
+	%%FC%% $(FFLAGS) psi2.f -o PSI2 $(GRLIBS) $(LFLAGS)
 
 #
 #  This is for the plotting routine set up to plot to a GKS device
 #  gksplot.f is a gks library that SHOULD work on any machine.....
 #
  PSI2GKS: psi2.f gksplot.f
-	f77 $(FFLAGS) psi2.f gksplot.f -o PSI2GKS $(LFLAGS) $(GKSLIB)
+	%%FC%% $(FFLAGS) psi2.f gksplot.f -o PSI2GKS $(LFLAGS) $(GKSLIB)
 
 #
 #  This is for the plotting routine set up to plot to a ChemText Metafile
 #
  PSI2CT: psi2.f ctplot.f
-	f77 $(FFLAGS) psi2.f ctplot.f -o PSI2CT $(LFLAGS)
+	%%FC%% $(FFLAGS) psi2.f ctplot.f -o PSI2CT $(LFLAGS)
 
 #
 #  This is for the plotting routine set up to plot to a PostScript device
 #  psplot.f is a postscript library that SHOULD work on any machine.....
 #
  PSI2PS: psi2.f psplot.f
-	f77 $(FFLAGS) psi2.f psplot.f -o PSI2PS $(LFLAGS)
+	%%FC%% $(FFLAGS) psi2.f psplot.f -o PSI2PS $(LFLAGS)
 
 #
 #  This is for the plotting routine set up to plot to a HP plotter
 #  hpplot.f is a HP plotter library that SHOULD work on any machine.....
 #
  PSI2HP: psi2.f hpplot.f
-	f77 $(FFLAGS) psi2.f hpplot.f -o PSI2HP $(LFLAGS)
+	%%FC%% $(FFLAGS) psi2.f hpplot.f -o PSI2HP $(LFLAGS)
 
 #
 # This is a program to convert MOPAC .GPT files (using the graph keyword)
 # to PSI/88 input files.
 #
  PREPLOT: preplot.f 
-	f77 $(FFLAGS) preplot.f -o PREPLOT $(LFLAGS)
+	%%FC%% $(FFLAGS) preplot.f -o PREPLOT $(LFLAGS)
 
 #
 # This is a program to read checkpoint files - 
 #
  chk2psi: chk2psi.f $(G90LIB)
-	f77 $(FFLAGS) chk2psi.f $(G90LIB) -o chk2psi $(LFLAGS)
+	%%FC%% $(FFLAGS) chk2psi.f $(G90LIB) -o chk2psi $(LFLAGS)
 
 #
 # Clean up when done
 #
  clean :
-        touch a.out foo.o core foo.u foo.f17 foo.22
+	touch a.out foo.o core foo.u foo.f17 foo.22
 	rm -f a.out *.o core *.u *.f17 *.f2*
 
@


1.2
log
@Make the psi88 port install into PREFIX instead of a hardcoded
/usr/local.

PR:	12215
Submitted by:	Nick Hibma <nick.hibma@@jrc.it>
@
text
@d1 135
a135 126
*** src/Makefile.orig  Fri May 24 21:04:15 1991
--- src/Makefile       Mon Jun 14 23:41:50 1999
***************
*** 27,37 ****
  # level and when it is working, increase the optimization level.  So far
  # optimization has never caused problems with this program.
  #
! # SGI 4D series flags
  #
  f77 = f77
! FFLAGS = -w0 -O4 -G 64
! LFLAGS = -lfastm -lfpe -s
  #
  # SUN Sparc series flags version 1.3 or later compiler
  #
--- 27,43 ----
  # level and when it is working, increase the optimization level.  So far
  # optimization has never caused problems with this program.
  #
! # FreeBSD
  #
  f77 = f77
! FFLAGS = -O3 -Wall
! LFLAGS =
! #
! # SGI 4D series flags
! #
! #f77 = f77
! #FFLAGS = -w0 -O4 -G 64
! #LFLAGS = -lfastm -lfpe -s
  #
  # SUN Sparc series flags version 1.3 or later compiler
  #
***************
*** 60,71 ****
  #  Place your G88/G90 util library definition here if you wish to 
  #  compile chk2psi
  #
! G90LIB = /usr/people/frisch/g90/libg90.a
  #
  # define the directory where the executables will reside
  # usually /usr/local/bin or ~/bin to put it in your own directory
  #
! BIN = /usr/local/bin
  #  
  #**** Add PSI2 to this and the install lists if you have a user defined
  #     Plotting library to plot to the screen, also remove any which you 
--- 66,77 ----
  #  Place your G88/G90 util library definition here if you wish to 
  #  compile chk2psi
  #
! #G90LIB = /usr/people/frisch/g90/libg90.a
  #
  # define the directory where the executables will reside
  # usually /usr/local/bin or ~/bin to put it in your own directory
  #
! BIN = $(PREFIX)/bin
  #  
  #**** Add PSI2 to this and the install lists if you have a user defined
  #     Plotting library to plot to the screen, also remove any which you 
***************
*** 84,96 ****
  #######################################################################
  #
  
!  all:  PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
  
  #
  # Install in the executable directory - may need to be superuser
  # depending on where you decide to put it (/usr/local/bin for instance)
  #
! install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
  	mv PSI1 $(BIN)
  	chmod +rx $(BIN)/PSI1
  	mv PSICON $(BIN)
--- 90,104 ----
  #######################################################################
  #
  
! # all:  PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
!  all:  PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS)
  
  #
  # Install in the executable directory - may need to be superuser
  # depending on where you decide to put it (/usr/local/bin for instance)
  #
! #install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS)
! install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS)
  	mv PSI1 $(BIN)
  	chmod +rx $(BIN)/PSI1
  	mv PSICON $(BIN)
***************
*** 99,106 ****
  	chmod +rx $(BIN)/PREPLOT
  	mv PSI2* $(BIN)
  	chmod +rx $(BIN)/PSI2*
! 	mv chk2psi $(BIN)
! 	chmod +rx $(BIN)/chk2psi
  
  #
  # This is the Density matrix generation program (PSI1/88)
--- 107,115 ----
  	chmod +rx $(BIN)/PREPLOT
  	mv PSI2* $(BIN)
  	chmod +rx $(BIN)/PSI2*
! 
! #	mv chk2psi $(BIN)
! #	chmod +rx $(BIN)/chk2psi
  
  #
  # This is the Density matrix generation program (PSI1/88)
***************
*** 164,169 ****
  # Clean up when done
  #
   clean :
!         touch a.out foo.o core foo.u foo.f17 foo.22
  	rm -f a.out *.o core *.u *.f17 *.f2*
  
--- 173,178 ----
  # Clean up when done
  #
   clean :
! 	touch a.out foo.o core foo.u foo.f17 foo.22
  	rm -f a.out *.o core *.u *.f17 *.f2*
  
@


1.1
log
@Initial revision
@
text
@d1 2
a2 2
*** src/Makefile.orig	Sat May 25 04:04:15 1991
--- src/Makefile	Thu Nov 12 11:20:18 1998
d35 1
a35 1
*** 60,66 ****
d43 6
a48 1
--- 66,72 ----
d56 5
@


1.1.1.1
log
@Plotting wavefunctions (molecular orbitals) in 3D

PR:             ports/8696
Submitted by:   Ryo MIYAMOTO rmiya@@cc.hirosaki-u.ac.jp
@
text
@@
