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authorMaho Nakata <maho@FreeBSD.org>2007-01-09 02:37:43 +0000
committerMaho Nakata <maho@FreeBSD.org>2007-01-09 02:37:43 +0000
commit602b708bfba5c855703888c78a83861e9e466461 (patch)
treef13f71380dbbe9ad74adcb96a53d943ffec25aff /biology/psi88
parent1aefb8052d0ce6e50482f3bedc39359375fa2c0d (diff)
downloadports-602b708bfba5c855703888c78a83861e9e466461.tar.gz
ports-602b708bfba5c855703888c78a83861e9e466461.zip
Notes
Diffstat (limited to 'biology/psi88')
-rw-r--r--biology/psi88/Makefile13
-rw-r--r--biology/psi88/files/patch-aa261
2 files changed, 147 insertions, 127 deletions
diff --git a/biology/psi88/Makefile b/biology/psi88/Makefile
index 468e75454f3b..68d8d13f656d 100644
--- a/biology/psi88/Makefile
+++ b/biology/psi88/Makefile
@@ -15,9 +15,20 @@ EXTRACT_SUFX= .tar.Z
MAINTAINER= ports@FreeBSD.org
COMMENT= Plotting wavefunctions (molecular orbitals) in 3D
+.include <bsd.port.pre.mk>
+
+WANT_FORTRAN= yes #dummy
+#currently not buildable with gfortran.
+#assume FreeBSD7 won't ship with f77 nor gfortran.
+.if ${OSVERSION} >= 700000
+USE_GCC= 3.4
+.endif
+
pre-patch:
${MV} ${WRKSRC}/src/makefile ${WRKSRC}/src/Makefile
+post-patch:
+ @${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g' -e 's+%%FFLAGS%%+${FFLAGS}+g' -e 's+%%LOCALBASE%%+${LOCALBASE}+g' ${WRKSRC}/src/Makefile
pre-build:
${CP} ${FILESDIR}/Makefile.top ${WRKSRC}/Makefile
@@ -35,4 +46,4 @@ post-install:
@${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/examples/* ${PREFIX}/share/doc/psi88/examples
.endif
-.include <bsd.port.mk>
+.include <bsd.port.post.mk>
diff --git a/biology/psi88/files/patch-aa b/biology/psi88/files/patch-aa
index 3c00f318a018..0a99544babac 100644
--- a/biology/psi88/files/patch-aa
+++ b/biology/psi88/files/patch-aa
@@ -1,126 +1,135 @@
-*** 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*
-
+--- 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*
+