diff options
| -rw-r--r-- | biology/psi88/Makefile | 13 | ||||
| -rw-r--r-- | biology/psi88/files/patch-aa | 261 |
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* + |