[Debichem-commits] r1551 - in /experimental/mopac7/debian: changelog control copyright libmopac7-1gf.install libmopac7-dev.install mopac7-bin.install patches/ rules run_mopac7.1
dleidert-guest at users.alioth.debian.org
dleidert-guest at users.alioth.debian.org
Mon Nov 24 15:08:44 UTC 2008
Author: dleidert-guest
Date: Mon Nov 24 15:08:44 2008
New Revision: 1551
URL: http://svn.debian.org/wsvn/debichem/?sc=1&rev=1551
Log:
- This now builds from the FORTRAN sources directly, so we don't need
f2c/g2c anymore.
* debian/control:
(Uploaders): Removed LI Daobing (thanks for your work!).
(Build-Depends): Removed dpatch and libf2c2-dev.
(Standards-Version): Bumped to 3.8.0.
(Vcs-Svn): Set to experimental location.
* debian/copyright: Updated.
* debian/mopac7-bin.install: Adjusted for --sourcedir=debian/tmp.
* debian/libmopac7-1gf: Ditto.
* debian/libmopac7-dev.install: Ditto. Removed .la files.
* debian/run_mopac7.1: Small GROFF source improvements.
* debian/rules: Commented dpatch rules. Set FFLAGS. Call dh_install with
--sourcedir=debian/tmp and list missing files.
(binary-fixup/mopac7-bin): Adjusted.
* debian/patches/01_undefined_symbol_in_so.dpatch: Removed (applied
upstream).
* debian/patches/03_fix_FORTRAN_source.dpatch: Ditto.
* debian/patches/: Removed. No patches to apply ATM.
Removed:
experimental/mopac7/debian/patches/
Modified:
experimental/mopac7/debian/changelog
experimental/mopac7/debian/control
experimental/mopac7/debian/copyright
experimental/mopac7/debian/libmopac7-1gf.install
experimental/mopac7/debian/libmopac7-dev.install
experimental/mopac7/debian/mopac7-bin.install
experimental/mopac7/debian/rules
experimental/mopac7/debian/run_mopac7.1
Modified: experimental/mopac7/debian/changelog
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/changelog?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/changelog (original)
+++ experimental/mopac7/debian/changelog Mon Nov 24 15:08:44 2008
@@ -2,6 +2,26 @@
* NOT RELEASED YET
* New upstream release 1.14.
+ - This now builds from the FORTRAN sources directly, so we don't need
+ f2c/g2c anymore.
+
+ * debian/control:
+ (Uploaders): Removed LI Daobing (thanks for your work!).
+ (Build-Depends): Removed dpatch and libf2c2-dev.
+ (Standards-Version): Bumped to 3.8.0.
+ (Vcs-Svn): Set to experimental location.
+ * debian/copyright: Updated.
+ * debian/mopac7-bin.install: Adjusted for --sourcedir=debian/tmp.
+ * debian/libmopac7-1gf: Ditto.
+ * debian/libmopac7-dev.install: Ditto. Removed .la files.
+ * debian/run_mopac7.1: Small GROFF source improvements.
+ * debian/rules: Commented dpatch rules. Set FFLAGS. Call dh_install with
+ --sourcedir=debian/tmp and list missing files.
+ (binary-fixup/mopac7-bin): Adjusted.
+ * debian/patches/01_undefined_symbol_in_so.dpatch: Removed (applied
+ upstream).
+ * debian/patches/03_fix_FORTRAN_source.dpatch: Ditto.
+ * debian/patches/: Removed. No patches to apply ATM.
-- Daniel Leidert (dale) <daniel.leidert at wgdd.de> Fri, 14 Mar 2008 16:25:14 +0100
Modified: experimental/mopac7/debian/control
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/control?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/control (original)
+++ experimental/mopac7/debian/control Mon Nov 24 15:08:44 2008
@@ -2,14 +2,13 @@
Priority: optional
Section: science
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
-Uploaders: LI Daobing <lidaobing at gmail.com>,
- Daniel Leidert (dale) <daniel.leidert at wgdd.de>,
+Uploaders: Daniel Leidert (dale) <daniel.leidert at wgdd.de>,
Michael Banck <mbanck at debian.org>
-Build-Depends: debhelper (>= 5), cdbs, dpatch, gfortran, libf2c2-dev
-Standards-Version: 3.7.3
+Build-Depends: debhelper (>= 5), cdbs, gfortran
+Standards-Version: 3.8.0
Homepage: http://sourceforge.net/projects/mopac7
Vcs-Browser: http://svn.debian.org/wsvn/debichem/
-Vcs-Svn: svn+ssh://svn.debian.org/svn/debichem/unstable/mopac7/
+Vcs-Svn: svn+ssh://svn.debian.org/svn/debichem/experimental/mopac7/
DM-Upload-Allowed: yes
Package: libmopac7-dev
Modified: experimental/mopac7/debian/copyright
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/copyright?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/copyright (original)
+++ experimental/mopac7/debian/copyright Mon Nov 24 15:08:44 2008
@@ -1,39 +1,38 @@
This package was debianized by Michael Banck <mbanck at debian.org> on
Fri, 1 Jul 2005 21:38:37 +0200.
-Download location:
+It was downloaded from:
- The MOPAC7 package used as a base for this work was obtained from
+ http://bioinformatics.org/ghemical/download/
+ http://www.uku.fi/~thassine/projects/download/
+ http://downloads.sourceforge.net/mopac7/ (older version(s))
+ ftp://esca.atomki.hu/mopac7/LINUX/ (much older version(s))
- http://bioinformatics.org/ghemical/download/current/
-
- Older versions can be obtained from
-
- http://downloads.sourceforge.net/mopac7/
- ftp://esca.atomki.hu/mopac7/LINUX/mopac-7.01-4.tar.gz
-
-Upstream Authors:
+Authors:
MOPAC7 originally is a work of James J. P. Stewart and co-workers.
-
+
Changes made by Tommi Hassinen, University of Kuopio, Finland, April 2001.
email <thassine at messi.uku.fi>. See the README file for a detailed
breakdown of the changes.
-Copyright and License: Public Domain:
-C
-C Notice of Public Domain nature of MOPAC
-C
-C 'This computer program is a work of the United States
-C Government and as such is not subject to protection by
-C copyright (17 U.S.C. # 105.) Any person who fraudulently
-C places a copyright notice or does any other act contrary
-C to the provisions of 17 U.S. Code 506(c) shall be subject
-C to the penalties provided therein. This notice shall not
-C be altered or removed from this software and is to be on
-C all reproductions.'
-C
+Copyright and License: Public Domain
-Changes made to MOPAC7 code in this work may be used/distributed under the
-same rules as the original MOPAC7 package; this work is in Public Domain.
+ Notice of Public Domain nature of MOPAC
+
+ 'This computer program is a work of the United States
+ Government and as such is not subject to protection by
+ copyright (17 U.S.C. # 105.) Any person who fraudulently
+ places a copyright notice or does any other act contrary
+ to the provisions of 17 U.S. Code 506(c) shall be subject
+ to the penalties provided therein. This notice shall not
+ be altered or removed from this software and is to be on
+ all reproductions.'
+
+ Changes made to MOPAC7 code in this work may be used/distributed under the
+ same rules as the original MOPAC7 package; this work is in Public Domain.
+
+ For the build system: Copyright (C) 2003- Tommi Hassinen, Jean Brefort,
+ Michael Banck, Daniel Leidert.
+
Modified: experimental/mopac7/debian/libmopac7-1gf.install
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/libmopac7-1gf.install?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/libmopac7-1gf.install (original)
+++ experimental/mopac7/debian/libmopac7-1gf.install Mon Nov 24 15:08:44 2008
@@ -1,1 +1,1 @@
-debian/tmp/usr/lib/lib*.so.*
+usr/lib/lib*.so.*
Modified: experimental/mopac7/debian/libmopac7-dev.install
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/libmopac7-dev.install?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/libmopac7-dev.install (original)
+++ experimental/mopac7/debian/libmopac7-dev.install Mon Nov 24 15:08:44 2008
@@ -1,5 +1,4 @@
-debian/tmp/usr/include/*
-debian/tmp/usr/lib/lib*.a
-debian/tmp/usr/lib/lib*.so
-debian/tmp/usr/lib/pkgconfig/*
-debian/tmp/usr/lib/*.la
+usr/include/*
+usr/lib/lib*.a
+usr/lib/lib*.so
+usr/lib/pkgconfig/*
Modified: experimental/mopac7/debian/mopac7-bin.install
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/mopac7-bin.install?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/mopac7-bin.install (original)
+++ experimental/mopac7/debian/mopac7-bin.install Mon Nov 24 15:08:44 2008
@@ -1,2 +1,2 @@
-src/.libs/mopac7 /usr/lib/mopac7/
-run_mopac7 /usr/bin/
+../../fortran/.libs/mopac7 usr/lib/mopac7/
+../../run_mopac7 usr/bin/
Modified: experimental/mopac7/debian/rules
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/rules?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/rules (original)
+++ experimental/mopac7/debian/rules Mon Nov 24 15:08:44 2008
@@ -3,15 +3,20 @@
include /usr/share/cdbs/1/rules/buildcore.mk
include /usr/share/cdbs/1/class/autotools.mk
include /usr/share/cdbs/1/rules/debhelper.mk
-include /usr/share/cdbs/1/rules/dpatch.mk
+#include /usr/share/cdbs/1/rules/dpatch.mk
ifeq (ia64,$(DEB_HOST_ARCH))
CFLAGS = -g -Wall -ffunction-sections
endif
LDFLAGS = -Wl,-z,defs
-DEB_CONFIGURE_SCRIPT_ENV += F77=gfortran
+FFLAGS = -Wall -g
+FFLAGS += $(DEB_OPT_FLAG)
+
+DEB_CONFIGURE_SCRIPT_ENV += F77="gfortran" FFLAGS="$(FFLAGS)"
+DEB_DH_INSTALL_SOURCEDIR := debian/tmp
+DEB_DH_INSTALL_ARGS := --list-missing
binary-fixup/mopac7-bin::
- sed -i -e 's/^\.\/src\/mopac7$$/\/usr\/lib\/mopac7\/mopac7/g' \
+ sed -i -e 's/^\.\/fortran\/mopac7$$/\/usr\/lib\/mopac7\/mopac7/g' \
$(CURDIR)/debian/mopac7-bin/usr/bin/run_mopac7
Modified: experimental/mopac7/debian/run_mopac7.1
URL: http://svn.debian.org/wsvn/debichem/experimental/mopac7/debian/run_mopac7.1?rev=1551&op=diff
==============================================================================
--- experimental/mopac7/debian/run_mopac7.1 (original)
+++ experimental/mopac7/debian/run_mopac7.1 Mon Nov 24 15:08:44 2008
@@ -1,26 +1,14 @@
-.\" Hey, EMACS: -*- nroff -*-
-.\" First parameter, NAME, should be all caps
-.\" Second parameter, SECTION, should be 1-8, maybe w/ subsection
-.\" other parameters are allowed: see man(7), man(1)
.TH "RUN_MOPAC" "1" "2007-06-19" "" "MOPAC7"
-.\" Please adjust this date whenever revising the manpage.
-.\"
-.\" Some roff macros, for reference:
-.\" .nh disable hyphenation
-.\" .hy enable hyphenation
-.\" .ad l left justify
-.\" .ad b justify to both left and right margins
-.\" .nf disable filling
-.\" .fi enable filling
-.\" .br insert line break
-.\" .sp <n> insert n+1 empty lines
-.\" for manpage-specific macros, see man(7)
+
.SH NAME
run_mopac7 \- invoke mopac7 program
+
.SH SYNOPSIS
.B run_mopac7
.I name
+
.SH DESCRIPTION
+.PP
MOPAC provides routines to solve the electronic structure of molecules on a
semi-empirical level. Available methods include MNDO, MINDO/3, AM1 and PM3.
.PP
@@ -28,9 +16,12 @@
will read input from \fIname.dat\fP and write output to \fIname.out\fP, also
write restart file to \fIname.res\fP, density matrix to \fIname.den\fP,
logfile to \fIname.log\fP and archive/summary file to \fIname.arc\fP.
+
.SH SEE ALSO
.BR mpqc (1)
+
.SH AUTHOR
+.PP
MOPAC7 originally is a work of James J. P. Stewart and co-workers.
The MOPAC7 package used as a base for this work was obtained from
@@ -41,9 +32,8 @@
\fI\%http://downloads.sourceforge.net/mopac7/\fR
\fI\%ftp://esca.atomki.hu/mopac7/LINUX/\fR
-Changes made by Tommi Hassinen, University of Kuopio, Finland, April 2001.
-email <\&thassine at messi\.uku\.fi\&>. See the README file for a detailed breakdown of
-the changes.
+Changes made by \fBTommi Hassinen\fP, University of Kuopio, Finland, April 2001.
+email <\&thassine at messi\.uku\.fi\&>.
.PP
-This manual page was written by LI Daobing <lidaobing at gmail.com>,
+This manual page was written by \fBLI Daobing\fP <\&lidaobing at gmail.com\&>,
for the Debian project (but may be used by others).
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