[74467] trunk/dports/science/whatcheck
ryandesign at macports.org
ryandesign at macports.org
Sat Dec 18 00:40:07 PST 2010
Revision: 74467
http://trac.macports.org/changeset/74467
Author: ryandesign at macports.org
Date: 2010-12-18 00:40:01 -0800 (Sat, 18 Dec 2010)
Log Message:
-----------
whatcheck: update to 8.1 (#27058), ensure we're UsingTheRightCompiler (MacPorts compiler now), overhaul how the fortran compiler is specified, so as to make it easy to add compiler variants in the future
Modified Paths:
--------------
trunk/dports/science/whatcheck/Portfile
trunk/dports/science/whatcheck/files/whatcheck.patch
Modified: trunk/dports/science/whatcheck/Portfile
===================================================================
--- trunk/dports/science/whatcheck/Portfile 2010-12-18 06:59:19 UTC (rev 74466)
+++ trunk/dports/science/whatcheck/Portfile 2010-12-18 08:40:01 UTC (rev 74467)
@@ -4,7 +4,7 @@
PortSystem 1.0
name whatcheck
-version 8.0
+version 8.1
categories science
maintainers bromo.med.uc.edu:howarth
@@ -17,12 +17,14 @@
ftp://ftp.cmbi.kun.nl/pub/molbio/software/:dsspcmbi
distfiles whatcheck.tar.bz2:whatcheck \
dsspcmbi.zip:dsspcmbi
-checksums whatcheck.tar.bz2 md5 66f4398ac459a1742128209c5285de03 \
- sha1 dee7eeb6fba60749607eadda46cf89766096098d \
- rmd160 ac21b18829cd33557eec641610d8e9795e769561 \
- dsspcmbi.zip md5 718779c6c5469429994a2ca284777050 \
- sha1 de348eea9be2d67ec33f9dc6346fd966e4bb538a \
- rmd160 f65caa60735b2996b6f2ea80108ade8e88f60458
+
+checksums whatcheck.tar.bz2 \
+ sha1 1ea39eb695218643f26e80315a8d560f57b91de5 \
+ rmd160 a6d6a0abe2fc378ae795675719f36a7f4d79817e \
+ dsspcmbi.zip \
+ sha1 880538dd36cc29918584f92dbc4e094c76ca3959 \
+ rmd160 e18d010308ae2252135c72988247518cf44a8841
+
dist_subdir ${name}/${version}
worksrcdir ${name}
depends_lib port:gcc44 port:xfig
@@ -31,24 +33,28 @@
use_bzip2 yes
extract.only whatcheck.tar.bz2
+configure.compiler macports-gcc-4.4
+
+post-extract {
+ system "cd ${worksrcpath} && rm -fr *.o dbdata/fonts/.svn"
+ system "cd ${worksrcpath} && rm -fr dssp && unzip ${distpath}/dsspcmbi.zip"
+}
+
post-patch {
reinplace "s|@PREFIX@|${prefix}|g" ${worksrcpath}/Makefile_whatcheck \
${worksrcpath}/WHATIF.FIG \
${worksrcpath}/DO_WHATCHECK.COM
- reinplace "s|-O0|-O3|g" ${worksrcpath}/Makefile_whatcheck
- system "cd ${worksrcpath} && rm -fr *.o dbdata/fonts/.svn"
- system "cd ${worksrcpath} && rm -fr dssp && unzip ${distpath}/dsspcmbi.zip"
- reinplace "s|-static||g" ${worksrcpath}/dssp/DsspCompileGCC
- reinplace "s|-O|-O3|g" ${worksrcpath}/dssp/DsspCompileGCC
if {"little" != ${os.endian}} {
- reinplace "s|gfortran-mp-4.4|gfortran-mp-4.4 -fconvert=little-endian|g" ${worksrcpath}/Makefile_whatcheck
+ configure.f77-append -fconvert=little-endian
}
+ reinplace "s|@F77@|${configure.f77}|g" ${worksrcpath}/Makefile_whatcheck \
+ ${worksrcpath}/scatter/Makefile
}
build {
- system "cd ${worksrcpath} && touch * && make -f Makefile_whatcheck"
- system "cd ${worksrcpath}/scatter && export FC=gfortran-mp-4.4 && make clean && make"
- system "cd ${worksrcpath}/dssp && ./DsspCompileGCC"
+ system "cd ${worksrcpath}/scatter && make clean"
+ system "cd ${worksrcpath} && touch * && make -f Makefile_whatcheck CC=${configure.cc}"
+ system "cd ${worksrcpath}/dssp && CC=${configure.cc} ./DsspCompileGCC"
}
destroot {
Modified: trunk/dports/science/whatcheck/files/whatcheck.patch
===================================================================
--- trunk/dports/science/whatcheck/files/whatcheck.patch 2010-12-18 06:59:19 UTC (rev 74466)
+++ trunk/dports/science/whatcheck/files/whatcheck.patch 2010-12-18 08:40:01 UTC (rev 74467)
@@ -1,10 +1,33 @@
---- Makefile_whatcheck.orig 2009-09-04 04:33:14.000000000 -0400
-+++ Makefile_whatcheck 2009-10-31 19:26:56.000000000 -0400
-@@ -3,10 +3,10 @@
+--- dssp/DsspCompileGCC.orig 2006-04-04 06:53:36.000000000 -0500
++++ dssp/DsspCompileGCC 2010-12-18 02:16:10.000000000 -0600
+@@ -1,10 +1,10 @@
+ echo "Running script to compile the CMBI version of DSSP, please wait..."
+-gcc -c -O -Wall -DGCC AccSurf.c
+-gcc -c -O -Wall -DGCC CalcAccSurf.c
+-gcc -c -O -Wall -DGCC Contacts.c
+-gcc -c -O -Wall -DGCC Date.c
+-gcc -c -O -Wall -DGCC DsspCMBI.c
+-gcc -c -O -Wall -DGCC Vector.c
+-gcc -c -O -Wall -DGCC p2clib.c
+-gcc -static -o dsspcmbi DsspCMBI.o p2clib.o Date.o Vector.o AccSurf.o CalcAccSurf.o Contacts.o -lm
++${CC} -c -O3 -Wall -DGCC AccSurf.c
++${CC} -c -O3 -Wall -DGCC CalcAccSurf.c
++${CC} -c -O3 -Wall -DGCC Contacts.c
++${CC} -c -O3 -Wall -DGCC Date.c
++${CC} -c -O3 -Wall -DGCC DsspCMBI.c
++${CC} -c -O3 -Wall -DGCC Vector.c
++${CC} -c -O3 -Wall -DGCC p2clib.c
++${CC} -o dsspcmbi DsspCMBI.o p2clib.o Date.o Vector.o AccSurf.o CalcAccSurf.o Contacts.o -lm
+ echo "Type dsspcmbi PDBSourcefile DSSPDestinationfile to run the program..."
+--- Makefile_whatcheck.orig 2010-08-10 07:40:36.000000000 -0500
++++ Makefile_whatcheck 2010-12-18 02:16:10.000000000 -0600
+@@ -2,13 +2,13 @@
+ # Automatically created by DO_INSTALL.SH
DEFINES=-DUNIX -DCTEXT -DF2C -DGLX11 -DX11 -DDX4 -DLITE -DWHATCHECK
- OPTFLAGS=-O0
+-OPTFLAGS=-O2 -Wall -m32 -Wsurprising
-LIBS= -L/usr/X11R6/lib -lX11 -lm -lcrypt
++OPTFLAGS=-O3 -Wall -Wsurprising
+LIBS= -L at PREFIX@/lib -lX11 -lm
ANSICC=cc
KRCC=cc
@@ -12,10 +35,12 @@
-F77=g77 -xf77-cpp-input -Wsurprising
-LD=g77
+INCLUDES= -I at PREFIX@/include -I.
-+F77=gfortran-mp-4.4 -xf77-cpp-input -Wsurprising -fbackslash
-+LD=gfortran-mp-4.4
++F77=@F77@ -xf77-cpp-input -Wsurprising -fbackslash
++LD=@F77@
-@@ -55,10 +55,10 @@
+ # End-Of-Configuration: Do not delete this line!!!
+
+@@ -56,10 +56,10 @@
@echo please ignore error message and re-execute make
exit 3
@@ -28,26 +53,26 @@
sed -r "s/^[Cc].+//" $< | g77 -xf77-cpp-input -E $(DEFINES) - | sed -r "s/^#.+//" > $@
%.INC: ../whatif/src/%.INC
-@@ -68,7 +68,7 @@
+@@ -69,7 +69,7 @@
cat $(DSTFILES) > obfuscated.f
support.o: support.c
- gcc $(DEFINES) -c -o $@ $<
-+ gcc -O3 -I /usr/include $(DEFINES) -c -o $@ $<
++ $(CC) -O3 -I /usr/include $(DEFINES) -c -o $@ $<
version.f: $(OBJECTS)
./mkversion
---- WHATIF.FIG.orig 2008-03-10 15:09:12.000000000 -0400
-+++ WHATIF.FIG 2008-04-10 21:23:06.000000000 -0400
+--- WHATIF.FIG.orig 2009-11-03 09:59:07.000000000 -0600
++++ WHATIF.FIG 2010-12-18 02:16:10.000000000 -0600
@@ -1,4 +1,4 @@
--/home/vriend/whatcheck/dbdata/
+-/home/vriend/whatif/dbdata/
+ at PREFIX@/share/whatcheck/dbdata/
YES DATABASE
--/home/vriend/whatcheck/qualty/
+-/home/vriend/whatif/qualty/
+ at PREFIX@/share/whatcheck/qualty/
IRIF FFTFFFTFFFFFFFTFFFFF
---- scatter/support.c.orig 2007-07-26 09:13:28.000000000 -0400
-+++ scatter/support.c 2008-04-10 21:23:52.000000000 -0400
+--- scatter/support.c.orig 2007-07-26 08:13:28.000000000 -0500
++++ scatter/support.c 2010-12-18 02:16:10.000000000 -0600
@@ -15,7 +15,8 @@
#endif
#if !defined(ESV)
@@ -58,21 +83,23 @@
#else
#include "/usr/include/unistd.h"
#endif
---- scatter/Makefile.orig 2008-04-11 19:31:50.000000000 -0400
-+++ scatter/Makefile 2008-04-11 19:32:32.000000000 -0400
-@@ -5,8 +5,8 @@
+--- scatter/Makefile.orig 2010-07-15 07:03:43.000000000 -0500
++++ scatter/Makefile 2010-12-18 02:16:43.000000000 -0600
+@@ -5,8 +5,10 @@
OBJS = data.o general_fit.o figfile.o lines.o\
polyno.o recipes.o scatter.o tools.o support.o
-FFLAGS = -O2 #-automatic
-CFLAGS = -O2 #-DF2C
++F77 = @F77@
++FC = $(F77)
+FFLAGS = -std=legacy -O3 #-automatic
+CFLAGS = -O3 #-DF2C
LIBS= #-lf2c
---- DO_WHATCHECK.COM.orig 2008-04-12 10:36:17.000000000 -0400
-+++ DO_WHATCHECK.COM 2008-04-12 10:38:23.000000000 -0400
+--- DO_WHATCHECK.COM.orig 2008-04-07 11:21:27.000000000 -0500
++++ DO_WHATCHECK.COM 2010-12-18 02:16:10.000000000 -0600
@@ -1,5 +1,5 @@
#!/bin/sh
-DIR=/home/vriend/whatcheck
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