diff options
Diffstat (limited to '')
| -rw-r--r-- | biology/mopac/Makefile | 12 | ||||
| -rw-r--r-- | biology/mopac/files/patch-ad | 31 | ||||
| -rw-r--r-- | biology/mopac/files/patch-ae | 25 | ||||
| -rw-r--r-- | biology/mopac/files/rmopac | 3 | ||||
| -rw-r--r-- | biology/mopac/pkg-plist | 9 |
5 files changed, 67 insertions, 13 deletions
diff --git a/biology/mopac/Makefile b/biology/mopac/Makefile index ea954c6dd9fb..ced53704b71e 100644 --- a/biology/mopac/Makefile +++ b/biology/mopac/Makefile @@ -28,9 +28,15 @@ pre-install: ${RM} -rf ${PREFIX}/share/doc/mopac ${MKDIR} ${PREFIX}/share/doc/mopac +do-install: + strip ${WRKDIR}/${DISTNAME}/MOPAC7 + ${INSTALL_PROGRAM} ${WRKDIR}/${DISTNAME}/MOPAC7 ${PREFIX}/bin + ${INSTALL_SCRIPT} ${WRKDIR}/${DISTNAME}/rmopac ${PREFIX}/bin + post-install: - ${INSTALL_DATA} ${FILESDIR}/h2o.dat ${PREFIX}/share/doc/mopac/ - ${INSTALL_DATA} ${WRKDIR}/mopac7-man/mopac.tex ${PREFIX}/share/doc/mopac/ - ${INSTALL_DATA} ${WRKDIR}/mopac7-man/mopac.dvi ${PREFIX}/share/doc/mopac + ${INSTALL_DATA} ${FILESDIR}/h2o.dat ${PREFIX}/share/doc/mopac + ${INSTALL_DATA} ${WRKDIR}/mopac7/test_* ${PREFIX}/share/doc/mopac + ${INSTALL_DATA} ${WRKDIR}/mopac7-man/mopac.tex ${PREFIX}/share/doc/mopac + ${INSTALL_DATA} ${WRKDIR}/mopac7-man/mopac.dvi ${PREFIX}/share/doc/mopac .include <bsd.port.mk> diff --git a/biology/mopac/files/patch-ad b/biology/mopac/files/patch-ad index 2f95df01f162..82335302788e 100644 --- a/biology/mopac/files/patch-ad +++ b/biology/mopac/files/patch-ad @@ -1,7 +1,17 @@ -*** Makefile.2 Wed Apr 23 22:14:31 1997 ---- Makefile Wed Apr 23 22:16:32 1997 +*** Makefile.orig Sun Apr 18 22:38:02 1999 +--- Makefile Sun Apr 18 22:49:30 1999 *************** -*** 15,21 **** +*** 8,13 **** +--- 8,14 ---- + # make clean Clean up disk to minimum config + # + FFLAGS = -O2 -w ++ LFLAGS = -lf2c + HDRS = SIZES + SRCS := $(shell ls *.f) + CSRCS := $(shell ls *.c) +*************** +*** 15,28 **** SIZEDEPSRC := $(shell grep -l -i ' INCLUDE ' *.f; true) SIZEDEPEND = $(SIZEDEPSRC:.f=.o) MOPAC = MOPAC7 @@ -9,7 +19,14 @@ BINDIR = /usr/local/bin OWNER = root.bin ---- 15,21 ---- + $(MOPAC): SIZES $(OBJS) + @echo -n "Loading $@ ... " +! f77 -O $(OBJS) -o $@ + @echo "done" + + clean: + $(RM) $(OBJS) *.trace core +--- 16,31 ---- SIZEDEPSRC := $(shell grep -l -i ' INCLUDE ' *.f; true) SIZEDEPEND = $(SIZEDEPSRC:.f=.o) MOPAC = MOPAC7 @@ -17,11 +34,9 @@ BINDIR = /usr/local/bin OWNER = root.bin -*************** -*** 23,28 **** ---- 23,30 ---- + $(MOPAC): SIZES $(OBJS) @echo -n "Loading $@ ... " - f77 -O $(OBJS) -o $@ +! $(FC) -O $(OBJS) $(LFLAGS) -o $@ @echo "done" + + all: $(MOPAC) diff --git a/biology/mopac/files/patch-ae b/biology/mopac/files/patch-ae new file mode 100644 index 000000000000..1cc332bf0869 --- /dev/null +++ b/biology/mopac/files/patch-ae @@ -0,0 +1,25 @@ +*** sympro.f2 Sun Apr 18 21:32:48 1999 +--- sympro.f Sun Apr 18 21:42:30 1999 +*************** +*** 170,179 **** + 50 CONTINUE + IF (ALLINT) THEN + WRITE(6,210)ISYMT(1+NENT),(ITEMP(I),I=1,NVALUE-1) +! 210 FORMAT(X,A10,I7,8I7) + ELSE + WRITE(6,220)ISYMT(1+NENT),ITEMP(1),(TEMP(I),I=2,NVALUE-1) +! 220 FORMAT(X,A10,I7,8F7.3) + ENDIF + SIGMA = 1 + IF (ITEMP(1) .LE. -3) SIGMA = -1 +--- 170,179 ---- + 50 CONTINUE + IF (ALLINT) THEN + WRITE(6,210)ISYMT(1+NENT),(ITEMP(I),I=1,NVALUE-1) +! 210 FORMAT(1X,A10,I7,8I7) + ELSE + WRITE(6,220)ISYMT(1+NENT),ITEMP(1),(TEMP(I),I=2,NVALUE-1) +! 220 FORMAT(1X,A10,I7,8F7.3) + ENDIF + SIGMA = 1 + IF (ITEMP(1) .LE. -3) SIGMA = -1 diff --git a/biology/mopac/files/rmopac b/biology/mopac/files/rmopac index 597dc35c552a..995fe210d45f 100644 --- a/biology/mopac/files/rmopac +++ b/biology/mopac/files/rmopac @@ -1,7 +1,6 @@ #!/bin/csh -f # set job = $1 -set mopacdir = /usr/local/bin set smallmopac = MOPAC7 # # Check that prior copies of files do not exist @@ -26,7 +25,7 @@ if -e core rm core if -e fort.2 rm fort.2 if -e fort.16 rm fort.16 # -time $mopacdir/$smallmopac >> $job.log +time $smallmopac >> $job.log # echo job $job is finished head -3 $job.dat diff --git a/biology/mopac/pkg-plist b/biology/mopac/pkg-plist index 11fe708abe11..a1d645f52dc9 100644 --- a/biology/mopac/pkg-plist +++ b/biology/mopac/pkg-plist @@ -3,4 +3,13 @@ bin/rmopac share/doc/mopac/mopac.tex share/doc/mopac/mopac.dvi share/doc/mopac/h2o.dat +share/doc/mopac/test_cos.dat +share/doc/mopac/test_cos.out +share/doc/mopac/test_ef_.dat +share/doc/mopac/test_ef_.out +share/doc/mopac/test_gre.dat +share/doc/mopac/test_gre.end +share/doc/mopac/test_gre.out +share/doc/mopac/test_pol.dat +share/doc/mopac/test_pol.out @dirrm share/doc/mopac |