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authorSatoshi Taoka <taoka@FreeBSD.org>1999-05-07 05:12:20 +0000
committerSatoshi Taoka <taoka@FreeBSD.org>1999-05-07 05:12:20 +0000
commit54c21509a1e71935e7ece7ed6c9beb2d9516b989 (patch)
tree91252db92d288691259bb8b5ae44b48793cb1522 /biology/mopac
parentcc94c40e99696e767db7f4cf151d007b3dc7ee37 (diff)
downloadports-54c21509a1e71935e7ece7ed6c9beb2d9516b989.tar.gz
ports-54c21509a1e71935e7ece7ed6c9beb2d9516b989.zip
Notes
Diffstat (limited to 'biology/mopac')
-rw-r--r--biology/mopac/Makefile12
-rw-r--r--biology/mopac/files/patch-ad31
-rw-r--r--biology/mopac/files/patch-ae25
-rw-r--r--biology/mopac/files/rmopac3
-rw-r--r--biology/mopac/pkg-plist9
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