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authordaichi <daichi@FreeBSD.org>2003-07-08 19:50:36 +0800
committerdaichi <daichi@FreeBSD.org>2003-07-08 19:50:36 +0800
commit56efe594e96e871a85ddaf7a8b07571ae9c54f3f (patch)
treedd8c30b4f499661f88901009d8027cc7633b35f4 /biology/nab
parent9605eb871025db7a17802ba44564ff8b50b78820 (diff)
downloadfreebsd-ports-gnome-56efe594e96e871a85ddaf7a8b07571ae9c54f3f.tar.gz
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freebsd-ports-gnome-56efe594e96e871a85ddaf7a8b07571ae9c54f3f.zip
update biology/nab: 4.4 -> 4.5.1
PR: 52786 Submitted by: M. L. Dodson <bdodson@scms.utmb.EDU> (maintainer)
Diffstat (limited to 'biology/nab')
-rw-r--r--biology/nab/Makefile30
-rw-r--r--biology/nab/distinfo2
-rw-r--r--biology/nab/files/config.h16
-rw-r--r--biology/nab/files/patch-Makefile40
-rw-r--r--biology/nab/files/patch-aa32
-rw-r--r--biology/nab/files/patch-nabgrm.y11
-rw-r--r--biology/nab/files/patch-parser.y10
-rw-r--r--biology/nab/files/patch-src:database.c48
-rw-r--r--biology/nab/files/patch-tleap:database.c51
-rw-r--r--biology/nab/files/patch-unitio.c10
-rw-r--r--biology/nab/pkg-descr27
-rw-r--r--biology/nab/pkg-plist519
12 files changed, 393 insertions, 403 deletions
diff --git a/biology/nab/Makefile b/biology/nab/Makefile
index ac14470a54fb..fbed8dabae40 100644
--- a/biology/nab/Makefile
+++ b/biology/nab/Makefile
@@ -6,24 +6,28 @@
#
PORTNAME= nab
-PORTVERSION= 4.4
+PORTVERSION= 4.5.1
CATEGORIES= biology
MASTER_SITES= ftp://ftp.scripps.edu/pub/case/ \
http://www.scripps.edu/case/
MAINTAINER= bdodson@scms.utmb.edu
-COMMENT= This is nab (nucleic acid builder), a language for macromolecules
+COMMENT= \
+ "This is nab (nucleic acid builder), a language for macromolecules"
+
+BUILD_DEPENDS= ucpp:${PORTSDIR}/devel/ucpp
+
+ONLY_FOR_ARCHS= i386
MAKE_ENV+= NABHOME=${WRKSRC} ARCH= PATH=${WRKSRC}/bin:${PATH}
-USE_BISON= yes
MAN1= nab.1
MANCOMPRESSED= yes
USE_REINPLACE= yes
BINARIES= matextract matmul teLeap tss_main \
matgen nab transform tss_next \
- matmerge nab2c tss_init ucpp
+ matmerge nab2c tss_init
LIBRARIES= cifparse.a libnab.a libsym.a
@@ -44,18 +48,18 @@ pre-install:
${SETENV} PREFIX=${PREFIX} ${MAKE} beforerealinstall
do-install:
- @-mkdir -p ${PREFIX}/share/nab
- @-mkdir -p ${PREFIX}/share/nab/bin
- @-mkdir -p ${PREFIX}/share/nab/include
- @-mkdir -p ${PREFIX}/share/nab/lib
+ @-${MKDIR} ${PREFIX}/share/nab
+ @-${MKDIR} ${PREFIX}/share/nab/bin
+ @-${MKDIR} ${PREFIX}/share/nab/include
+ @-${MKDIR} ${PREFIX}/share/nab/lib
.if !defined(NOPORTDOCS)
- @cd ${WRKSRC} && (tar cf - examples test peptide suppose | \
- (cd ${PREFIX}/share/nab; tar xf -))
- @-mkdir -p ${PREFIX}/share/doc/nab
+ @cd ${WRKSRC} && (${TAR} cf - examples test peptide suppose | \
+ (cd ${PREFIX}/share/nab; ${TAR} xf -))
+ @-${MKDIR} ${PREFIX}/share/doc/nab
${INSTALL_MAN} ${WRKSRC}/doc/NAB.pdf ${PREFIX}/share/doc/nab
.endif
- @cd ${WRKSRC} && (tar cf - dgdb reslib fd_data | \
- (cd ${PREFIX}/share/nab; tar xf -))
+ @cd ${WRKSRC} && (${TAR} cf - dgdb reslib fd_data | \
+ (cd ${PREFIX}/share/nab; ${TAR} xf -))
@(cd ${PREFIX}/share; ${CHOWN} -R ${SHAREOWN}:${SHAREGRP} nab; \
${CHMOD} -R ugo+rX-w nab)
@-(cd ${PREFIX}/share/nab && ${LN} -sf ../NDB coords)
diff --git a/biology/nab/distinfo b/biology/nab/distinfo
index 00bddf409b0e..9b854a4b868a 100644
--- a/biology/nab/distinfo
+++ b/biology/nab/distinfo
@@ -1 +1 @@
-MD5 (nab-4.4.tar.gz) = c1fe516ab9aebff74fcadd61f874d474
+MD5 (nab-4.5.1.tar.gz) = 650be5581dfe5af1b7edb6da44a221d4
diff --git a/biology/nab/files/config.h b/biology/nab/files/config.h
index 1d2f9ebab0a8..51a3556506c5 100644
--- a/biology/nab/files/config.h
+++ b/biology/nab/files/config.h
@@ -79,26 +79,26 @@ SHELL= /bin/sh
#
# For RedHat Linux 5.1 (and other linuxes?) add -DHAVE_STRERROR
#
-# For FreeBSD 4.2-STABLE, there seems to be a dependency
-# on bison. Berkeley yacc was very problematic.
-CC= cc
+#CC=
LEX= flex
-YACC= bison -y -t
+YACC= yacc
AR= ar
#
# Set the C-preprocessor. Code for a small preprocessor is in
# uccp-0.7; it gets installed as $(NABHOME)/bin/$(ARCH)/ucpp;
# this should generally *not* be changed.
+# Changed 14 Feb 2003 to use the ucpp port (FreeBSD). MLD
#
-# Again, for FreeBSD 4.2-STABLE, I had problems using the system
-# C-preprocessor.
+# For FreeBSD 4.x, I had problems using the system C-preprocessor. MLD
#
CPP= ucpp -l
#
# Use these CFLAGS if AVS = 0
#
-CFLAGS= -O -pipe
-OCFLAGS= -O -pipe
+# Pick up initial CFLAGS from /etc/make.conf instead of here
+# This is a Berkeley make- (pmake-)specific construct
+CFLAGS+=
+OCFLAGS= ${CFLAGS}
NABFLAGS=
#
# Use these CFLAGS if AVS = 1
diff --git a/biology/nab/files/patch-Makefile b/biology/nab/files/patch-Makefile
new file mode 100644
index 000000000000..039c7d0abffb
--- /dev/null
+++ b/biology/nab/files/patch-Makefile
@@ -0,0 +1,40 @@
+--- Makefile.orig Mon Oct 23 20:33:23 2000
++++ Makefile Wed Feb 12 16:33:42 2003
+@@ -1,15 +1,15 @@
+ # top-level Makefile for the NAB suite of programs
+
++all: compiler test
+ compiler:
+ -mkdir bin lib include
+- (cd ucpp-0.7; make install )
+ (cd cifparse; make install )
+ (cd src; make install )
+ (cd nss; make install )
+ (cd tleap; make install )
+- @echo
+- @echo "completed installation of NAB version 4"
+- @echo
++# @echo
++# @echo "completed installation of NAB version 4"
++# @echo
+
+ # note: "make test" needs to follow "make", since it is very hard to
+ # tell if the compiler is completely "made" or not.
+@@ -18,17 +18,14 @@
+ (cd nss; make test )
+
+ clean:
+- (cd ucpp-0.7; make clean )
+ (cd cifparse; make clean )
+ (cd src; make clean )
+ (cd nss; make clean )
+ (cd tleap; make clean )
+
+ uninstall:
+- (cd ucpp-0.7; make uninstall )
+ (cd cifparse; make uninstall )
+ (cd src; make uninstall )
+ (cd nss; make uninstall )
+ (cd tleap; make uninstall )
+ -/bin/rm config.h
+-
diff --git a/biology/nab/files/patch-aa b/biology/nab/files/patch-aa
deleted file mode 100644
index a04b27361f18..000000000000
--- a/biology/nab/files/patch-aa
+++ /dev/null
@@ -1,32 +0,0 @@
-*** Makefile.orig Mon Oct 23 20:01:09 2000
---- Makefile Sun Jan 28 13:36:22 2001
-***************
-*** 1,5 ****
---- 1,6 ----
- # top-level Makefile for the NAB suite of programs
-
-+ all: compiler test
- compiler:
- -mkdir bin lib include
- (cd ucpp-0.7; make install )
-***************
-*** 7,15 ****
- (cd src; make install )
- (cd nss; make install )
- (cd tleap; make install )
-! @echo
-! @echo "completed installation of NAB version 4"
-! @echo
-
- # note: "make test" needs to follow "make", since it is very hard to
- # tell if the compiler is completely "made" or not.
---- 8,16 ----
- (cd src; make install )
- (cd nss; make install )
- (cd tleap; make install )
-! # @echo
-! # @echo "completed installation of NAB version 4"
-! # @echo
-
- # note: "make test" needs to follow "make", since it is very hard to
- # tell if the compiler is completely "made" or not.
diff --git a/biology/nab/files/patch-nabgrm.y b/biology/nab/files/patch-nabgrm.y
deleted file mode 100644
index 78ff31d21884..000000000000
--- a/biology/nab/files/patch-nabgrm.y
+++ /dev/null
@@ -1,11 +0,0 @@
---- src/nabgrm.y.orig Tue Oct 29 13:04:56 2002
-+++ src/nabgrm.y Tue Oct 29 13:40:29 2002
-@@ -244,7 +244,7 @@
- expr_stmt : expr SYM_SEMICOLON
- { CG_genmain(); CG_genexpr( $1 );
- CG_genop( NULL, SYM_SEMICOLON ); } ;
--if_stmt : if_hdr stmt ;
-+if_stmt : if_hdr stmt
- | if_hdr stmt SYM_ELSE
- { CG_genrword( SYM_ELSE ); } stmt ;
- for_stmt : for_hdr stmt ;
diff --git a/biology/nab/files/patch-parser.y b/biology/nab/files/patch-parser.y
deleted file mode 100644
index bdf23a785552..000000000000
--- a/biology/nab/files/patch-parser.y
+++ /dev/null
@@ -1,10 +0,0 @@
---- tleap/parser.y.orig Tue Oct 29 13:46:35 2002
-+++ tleap/parser.y Tue Oct 29 13:48:18 2002
-@@ -220,6 +220,7 @@
- {
- return;
- }
-+ ;
-
- line : LENDOFCOMMAND
- | instruct
diff --git a/biology/nab/files/patch-src:database.c b/biology/nab/files/patch-src:database.c
index fc36828b3bfd..34b3f2851083 100644
--- a/biology/nab/files/patch-src:database.c
+++ b/biology/nab/files/patch-src:database.c
@@ -1,32 +1,16 @@
-*** src/database.c.orig Wed Nov 15 19:46:50 2000
---- src/database.c Sun Jun 2 12:57:50 2002
-***************
-*** 67,72 ****
---- 67,79 ----
-
-
-
-+ #if (defined(__unix__) || defined(unix)) && !defined(USG)
-+ #include <sys/param.h>
-+ #endif
-+
-+ #if defined(BSD)
-+ #include <math.h>
-+ #endif
-
-
- #include "stdio.h"
-***************
-*** 979,985 ****
---- 986,996 ----
-
- sDBRemoveLeadingSpaces( sLine );
- sDBRemoveFirstString( sLine, sHead );
-+ #if defined (linux) || defined(BSD)
-+ sscanf( sHead, "%lg", dPDbl );
-+ #else
- sscanf( sHead, "%lG", dPDbl );
-+ #endif
-
- }
-
+--- src/database.c.orig Thu Nov 16 15:37:11 2000
++++ src/database.c Fri Feb 14 12:15:53 2003
+@@ -64,6 +64,13 @@
+ * The TOTAL database name MUST NEVER be longer than
+ * can be contained in the String object.
+ */
++#if (defined(__unix__) || defined(unix)) && !defined(USG)
++#include <sys/param.h>
++#endif
++
++#if defined(BSD)
++#include <math.h>
++#endif
+
+
+
diff --git a/biology/nab/files/patch-tleap:database.c b/biology/nab/files/patch-tleap:database.c
index bdb35b202fa7..c6004d1d9a24 100644
--- a/biology/nab/files/patch-tleap:database.c
+++ b/biology/nab/files/patch-tleap:database.c
@@ -1,35 +1,16 @@
-*** tleap/database.c.orig Wed Mar 27 15:41:01 2002
---- tleap/database.c Sun Jun 2 12:59:14 2002
-***************
-*** 97,102 ****
---- 97,109 ----
-
-
-
-+ #if (defined(__unix__) || defined(unix)) && !defined(USG)
-+ #include <sys/param.h>
-+ #endif
-+
-+ #if defined(BSD)
-+ #include <math.h>
-+ #endif
-
-
- #include "basics.h"
-***************
-*** 563,569 ****
-
- sRemoveLeadingSpaces( sLine );
- sRemoveFirstString( sLine, sHead );
-! #ifdef linux
- sscanf( sHead, "%lg", dPDbl );
- #else
- sscanf( sHead, "%lG", dPDbl );
---- 570,576 ----
-
- sRemoveLeadingSpaces( sLine );
- sRemoveFirstString( sLine, sHead );
-! #if defined(linux) || defined(BSD)
- sscanf( sHead, "%lg", dPDbl );
- #else
- sscanf( sHead, "%lG", dPDbl );
+--- tleap/database.c.orig Sat Nov 9 18:36:58 2002
++++ tleap/database.c Wed Jan 29 09:56:46 2003
+@@ -185,6 +185,13 @@
+ }
+
+
++#if (defined(__unix__) || defined(unix)) && !defined(USG)
++#include <sys/param.h>
++#endif
++
++#if defined(BSD)
++#include <math.h>
++#endif
+
+
+
diff --git a/biology/nab/files/patch-unitio.c b/biology/nab/files/patch-unitio.c
new file mode 100644
index 000000000000..8b3048548a01
--- /dev/null
+++ b/biology/nab/files/patch-unitio.c
@@ -0,0 +1,10 @@
+--- tleap/unitio.c.orig Sat Nov 9 18:37:02 2002
++++ tleap/unitio.c Fri Feb 14 12:20:38 2003
+@@ -5958,6 +5958,7 @@
+ *TODO: Add CAP information
+ */
+ #define AMBERINDEX(i) 3*(i-1)
++#undef INTFORMAT
+ #define INTFORMAT "%6d"
+ #define DBLFORMAT "%16.8lE"
+ #define LBLFORMAT "%-4s"
diff --git a/biology/nab/pkg-descr b/biology/nab/pkg-descr
index 6b5bb0463a4b..b4fcfcb34f6a 100644
--- a/biology/nab/pkg-descr
+++ b/biology/nab/pkg-descr
@@ -1,20 +1,23 @@
-This is version 4.4 of nab (nucleic acid builder), a computer language that
-is intended for use in creating, describing and modifying macromolecules,
-especially nucleic acids. Programs written in nab are translated into C,
-which in turn is compiled into machine code.
+This is version 4.5 of nab (nucleic acid builder), a computer
+language that is intended for use in creating, describing and
+modifying macromolecules, especially nucleic acids. Programs
+written in nab are translated into C, which in turn is compiled
+into machine code.
Further general information can be obtained from our web page:
WWW: http://www.scripps.edu/case/
-Although we have been using this code for some time now, users should be
-aware that bugs may still exist. Please see the file COPYING for the usual
-disclaimer of liability. Further enhancements are planned, and will be
-announced on the web page.
+Although we have been using this code for some time now, users
+should be aware that bugs may still exist. Please see the file
+COPYING for the usual disclaimer of liability. Further
+enhancements are planned, and will be announced on the web page.
-Please send comments and suggestions to Tom Macke (macke@scripps.edu) and/or
-to Dave Case (case@scripps.edu). If you find the program useful, please
-send us a note outlining your applications.
+Please send comments and suggestions to Tom Macke
+(macke@scripps.edu) and/or to Dave Case (case@scripps.edu). If
+you find the program useful, please send us a note outlining your
+applications.
-This port to FreeBSD by M. L. Dodson, Univ. of Texas Medical Branch, Galveston
+This port to FreeBSD by M. L. Dodson, Univ. of Texas Medical
+Branch, Galveston
bdodson@scms.utmb.edu
diff --git a/biology/nab/pkg-plist b/biology/nab/pkg-plist
index ba96f8b296ca..1d3ca0851424 100644
--- a/biology/nab/pkg-plist
+++ b/biology/nab/pkg-plist
@@ -9,7 +9,6 @@ bin/transform
bin/tss_init
bin/tss_main
bin/tss_next
-bin/ucpp
include/defreal.h
include/nab.h
include/nabcode.h
@@ -19,90 +18,17 @@ lib/libnab.a
lib/libsym.a
share/doc/nab/NAB.pdf
share/nab/bin/matextract
-share/nab/bin/matmul
-share/nab/bin/teLeap
-share/nab/bin/tss_main
share/nab/bin/matgen
-share/nab/bin/nab
-share/nab/bin/transform
-share/nab/bin/tss_next
share/nab/bin/matmerge
+share/nab/bin/matmul
+share/nab/bin/nab
share/nab/bin/nab2c
+share/nab/bin/teLeap
+share/nab/bin/transform
share/nab/bin/tss_init
-share/nab/bin/ucpp
-share/nab/examples/test.pdb
-share/nab/examples/ADE.pdb
-share/nab/examples/README
-share/nab/examples/Makefile
-share/nab/examples/program_9.nab
-share/nab/examples/gcg10.pdb
-share/nab/examples/program_8.nab
-share/nab/examples/program_7.nab
-share/nab/examples/program_6.nab
-share/nab/examples/rna_pseudoknot.pdb
-share/nab/examples/THY.pdb
-share/nab/examples/program_5.gcg.in
-share/nab/examples/program_5.nab
-share/nab/examples/getbase.nab
-share/nab/examples/program_14.nab
-share/nab/examples/program_4.ref
-share/nab/examples/program_4.nab
-share/nab/examples/acgtacgt.pdb
-share/nab/examples/program_5.tat.in
-share/nab/examples/program_3.nab
-share/nab/examples/program_12.nab
-share/nab/examples/program_2.ref
-share/nab/examples/program_2.nab
-share/nab/examples/program_13.nab
-share/nab/examples/program_5.cgc.in
-share/nab/examples/program_1.nab
-share/nab/examples/program_10.nab
-share/nab/examples/program_5.ata.in
-share/nab/examples/test.sup.pdb
-share/nab/examples/program_11.nab
-share/nab/examples/gcg10.pdb.save
-share/nab/test/get_sugar_info.nab
-share/nab/test/get_pep_info.nab
-share/nab/test/read_obs_shifts.nab
-share/nab/test/hash.out.check
-share/nab/test/ico.sym.out.check
-share/nab/test/2.pdb
-share/nab/test/sbcoil.nab
-share/nab/test/ltest.nab
-share/nab/test/prmtop
-share/nab/test/reflexive.nab
-share/nab/test/reflexive.out
-share/nab/test/duplex.in
-share/nab/test/hash.in
-share/nab/test/gbrna.prmtop
-share/nab/test/fd.nab
-share/nab/test/gbrna.out.check
-share/nab/test/d01.pdb.check
-share/nab/test/fd.pdb.check
-share/nab/test/d01.lin.check
-share/nab/test/swap_shifts.nab
-share/nab/test/shifts.h
-share/nab/test/ico.sym
-share/nab/test/gbrna.pdb
-share/nab/test/gbrna.nab
-share/nab/test/tbv.60.com.pdb.check
-share/nab/test/hash.nab
-share/nab/test/5pti.shifts.check
-share/nab/test/5pti.obs
-share/nab/test/5pti.pdb
-share/nab/test/dna.circle.nab
-share/nab/test/tbv.com.pdb
-share/nab/test/pointplane.nab
-share/nab/test/dg_gyrate.nab
-share/nab/test/getresid_from_pdb.nab
-share/nab/test/get_ring_info.nab
-share/nab/test/shifts.nab
-share/nab/test/write_sander_inp.nab
-share/nab/test/duplex.nab
-share/nab/test/ltest.out.check
-share/nab/test/dg_gyrate.out.check
-share/nab/suppose/suppose.1
-share/nab/suppose/suppose.nab
+share/nab/bin/tss_main
+share/nab/bin/tss_next
+share/nab/coords
share/nab/dgdb/adna.basepair.db
share/nab/dgdb/adna.nucleotide.db
share/nab/dgdb/adna.stack.db
@@ -120,210 +46,305 @@ share/nab/dgdb/trna.stack.db
share/nab/dgdb/zdna.basepair.db
share/nab/dgdb/zdna.nucleotide.db
share/nab/dgdb/zdna.stack.db
-share/nab/peptide/peptide.nab
+share/nab/examples/ADE.pdb
+share/nab/examples/Makefile
+share/nab/examples/README
+share/nab/examples/THY.pdb
+share/nab/examples/acgtacgt.pdb
+share/nab/examples/gcg10.pdb
+share/nab/examples/gcg10.pdb.save
+share/nab/examples/getbase.nab
+share/nab/examples/program_1.nab
+share/nab/examples/program_10.nab
+share/nab/examples/program_11.nab
+share/nab/examples/program_12.nab
+share/nab/examples/program_13.nab
+share/nab/examples/program_14.nab
+share/nab/examples/program_2.nab
+share/nab/examples/program_2.ref
+share/nab/examples/program_3.nab
+share/nab/examples/program_4.nab
+share/nab/examples/program_4.ref
+share/nab/examples/program_5.ata.in
+share/nab/examples/program_5.cgc.in
+share/nab/examples/program_5.gcg.in
+share/nab/examples/program_5.nab
+share/nab/examples/program_5.tat.in
+share/nab/examples/program_6.nab
+share/nab/examples/program_7.nab
+share/nab/examples/program_8.nab
+share/nab/examples/program_9.nab
+share/nab/examples/rna_pseudoknot.pdb
+share/nab/examples/test.pdb
+share/nab/examples/test.sup.pdb
+share/nab/fd_data/abdna.dat
+share/nab/fd_data/abdna.dat.old
+share/nab/fd_data/adna.dat
+share/nab/fd_data/aprna.dat
+share/nab/fd_data/arna.dat
+share/nab/fd_data/lbdna.dat
+share/nab/fd_data/sbdna.dat
+share/nab/include/defreal.h
+share/nab/include/nab.h
+share/nab/include/nabcode.h
+share/nab/include/nabtypes.h
+share/nab/lib/cifparse.a
+share/nab/lib/libnab.a
+share/nab/lib/libsym.a
share/nab/peptide/README
-share/nab/reslib/leap.log
-share/nab/reslib/hetatm.amber94/hetatm.amber94.chi
-share/nab/reslib/hetatm.amber94/hetatm.amber94.bnd
-share/nab/reslib/hetatm.amber94/hetatm.amber94.pdb
-share/nab/reslib/hetatm.amber94/hetatm.amber94.qr
-share/nab/reslib/charlie.star.note
+share/nab/peptide/peptide.nab
+share/nab/reslib/adna.std.rlb
+share/nab/reslib/adna.std/adna.std.bnd
+share/nab/reslib/adna.std/adna.std.pdb
+share/nab/reslib/ala.off
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+@dirrm share/nab/reslib/axes
@dirrm share/nab/reslib/arna.std
@dirrm share/nab/reslib/adna.std
-@dirrm share/nab/reslib/protein.opls
-@dirrm share/nab/reslib/dna.amber94
-@dirrm share/nab/reslib/rna.amber94
-@dirrm share/nab/reslib/rna.amberua
-@dirrm share/nab/reslib/dna.amberua
-@dirrm share/nab/reslib/protein.amber94
-@dirrm share/nab/reslib/pro-dna.nmr
@dirrm share/nab/reslib
+@dirrm share/nab/peptide
+@dirrm share/nab/lib
+@dirrm share/nab/include
@dirrm share/nab/fd_data
+@dirrm share/nab/examples
+@dirrm share/nab/dgdb
+@dirrm share/nab/bin
@dirrm share/nab
+@dirrm share/doc/nab