debian/0000775000000000000000000000000012265635564007206 5ustar debian/rules0000775000000000000000000000245512265635541010267 0ustar #!/usr/bin/make -f # -*- makefile -*- # Sample debian/rules that uses debhelper. # This file was originally written by Joey Hess and Craig Small. # As a special exception, when this file is copied by dh-make into a # dh-make output file, you may use that output file without restriction. # This special exception was added by Craig Small in version 0.37 of dh-make. # Uncomment this to turn on verbose mode. #export DH_VERBOSE=1 export CPPFLAGS := $(shell dpkg-buildflags --get CPPFLAGS) export CFLAGS := $(shell dpkg-buildflags --get CFLAGS) export CXXFLAGS := $(shell dpkg-buildflags --get CXXFLAGS) export LDFLAGS := $(shell dpkg-buildflags --get LDFLAGS) -Wl,--as-needed export AUTOHEADER = true %: dh $@ --with autoreconf --parallel override_dh_auto_clean: rm -rf lib/.libs dh_auto_clean override_dh_auto_configure: CONFIG_SHELL=/bin/bash dh_auto_configure -- \ --enable-shared \ --enable-deriv \ --enable-r12 \ --enable-debug=opt \ --prefix=/usr \ --with-cc-optflags="$(CFLAGS) $(CPPFLAGS)" \ --with-cxx-optflags="$(CXXFLAGS) $(CPPFLAGS)" \ --with-libdirs="$(LDFLAGS)" override_dh_auto_build: $(MAKE) -C doc dh_auto_build override_dh_strip: dh_strip --dbg-package=libint-dbg override_dh_install: dh_install --list-missing override_dh_installchangelogs: dh_installchangelogs updates debian/libint-dev.docs0000664000000000000000000000003011716030737012075 0ustar doc/progman/progman.pdf debian/watch0000664000000000000000000000012311734663446010233 0ustar # See uscan(1) for format version=3 http://sf.net/libint/libint-([\d.]+)\.tar\.gz debian/changelog0000664000000000000000000000273612265635557011072 0ustar libint (1.1.5-1ubuntu1) trusty; urgency=medium * Use dh-autoreconf instead of autotools-dev to also fix FTBFS on ppc64el by getting new libtool macros (still updates config.{sub,guess}). * Disable autoheader to fix FTBFS while autoreconfing. -- Logan Rosen Wed, 15 Jan 2014 20:46:55 -0500 libint (1.1.5-1) unstable; urgency=low [ Daniel Leidert ] * New upstream release. * debian/control: Dropped DM-Upload-Allowed. (Uploaders): Removed myself. (Standards-Version): Bumped to 3.9.4. (Build-Depends): Added texlive-font-utils for pslatex. * debian/copyright: Updated and rewritten in dep5 format. * debian/libint1.lintian-overrides: Added. * debian/libint-dev.doc-base: Fixed doc-base-uses-applications-section. * debian/rules: Enable hardening and parallel mode. Install changelog. (override_dh_configure): Set shell to bash. * debian/upstream: Added. * debian/watch: Fixed. * debian/patches/01_fix_doc_makefile.patch: Renamed to debian/patches/fix_doc_makefile.patch. * debian/patches/enable_hardening.patch: Added. - Fix build with hardening flags enabled. * debian/patches/fix_makefiles.patch: Added. - Enable LDFLAGS for libraries. * debian/patches/series: Adjusted. -- Debichem Team Sun, 26 May 2013 22:44:51 +0200 libint (1.1.4-1) unstable; urgency=low * Initial upload (Closes: #425039). -- Michael Banck Sun, 12 Feb 2012 22:15:45 +0100 debian/upstream0000664000000000000000000000047411776050657010776 0ustar Name: libint Homepage: http://libint.valeyev.net Contact: Edward F. Valeev Cite-As: "Libint: Machine-generated library for efficient evaluation of molecular integrals over Gaussians." Repository: http://hg.code.sf.net/p/libint/mercurial Repository-Browse: http://sourceforge.net/p/libint/mercurial/ debian/compat0000664000000000000000000000000211716030737010373 0ustar 8 debian/libint-dev.doc-base0000664000000000000000000000051312146235441012625 0ustar Document: libint-dev Title: The LIBINT Programmer's Manual Author: Edward F. Valeev Abstract: LIBINT is a collection of functions to compute two-body integrals over Gaussian functions which appear in electronic and molecular structure theories. Section: Programming Format: PDF Files: /usr/share/doc/libint-dev/progman.pdf.gz debian/copyright0000664000000000000000000000256512146235441011135 0ustar Format: http://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ Upstream-Name: libint Upstream-Contact: Edward F. Valeev Source: http://sourceforge.net/p/libint/ Files: * Copyright: Copyright (C) 1996-2013 Edward F. Valeev and Justin T. Fermann License: GPL-2+ Files: debian/* Copyright: 2007-2013, The debichem team Comment: This package was debianized by Daniel Leidert on Sun, 10 Jun 2007 03:35:40 +0200. License: GPL-2+ License: GPL-2+ This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. . This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. . You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Comment: On Debian systems, the complete text of the GNU General Public License version 2 can be found in "/usr/share/common-licenses/GPL-2". debian/source/0000775000000000000000000000000012150472137010472 5ustar debian/source/format0000664000000000000000000000001411716030737011703 0ustar 3.0 (quilt) debian/libint1.links0000664000000000000000000000022511716030737011600 0ustar usr/lib/libderiv-stable.so.1 usr/lib/libderiv.so.1 usr/lib/libint-stable.so.1 usr/lib/libint.so.1 usr/lib/libr12-stable.so.1 usr/lib/libr12.so.1 debian/libint-dev.dirs0000664000000000000000000000002411716030737012111 0ustar usr/lib usr/include debian/libint-dev.install0000664000000000000000000000005511716030737012622 0ustar usr/include/* usr/lib/lib*.a usr/lib/lib*.so debian/libint1.lintian-overrides0000664000000000000000000000030412146235441014111 0ustar # there is no split into separate library packages planned libint1: package-name-doesnt-match-sonames # there symlinks do not fully match the library names libint1: dev-pkg-without-shlib-symlink debian/libint1.dirs0000664000000000000000000000001011716030737011411 0ustar usr/lib debian/control0000664000000000000000000000734612265635053010614 0ustar Source: libint Section: science Priority: optional Maintainer: Ubuntu Developers XSBC-Original-Maintainer: Debichem Team Uploaders: Michael Banck Build-Depends: dh-autoreconf, debhelper (>> 8), perl, texlive-base-bin, texlive-font-utils, texlive-latex-base Standards-Version: 3.9.4 Homepage: http://sourceforge.net/p/libint/home/ Vcs-Browser: http://svn.debian.org/wsvn/debichem/unstable/libint/ Vcs-Svn: svn://svn.debian.org/svn/debichem/unstable/libint/ Package: libint1 Section: libs Architecture: any Depends: ${misc:Depends}, ${shlibs:Depends} Description: Evaluate the integrals in modern atomic and molecular theory The LIBINT library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. The idea of the library is to let computer write optimized code for computing such integrals. There are two primary advantages to this: much less human effort is required to write code for computing new integrals, and code can be optimized specifically for a particular computer architecture (e.g., vector processor). . LIBINT has been utilized to implement methods such as Hartree-Fock (HF) and Kohn-Sham density functional theory (KS DFT), second-order Moeller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD) method, as well as explicitly correlated R12 methods. . This package contains the shared library. Package: libint-dev Section: libdevel Architecture: any Depends: libint1 (= ${binary:Version}), ${misc:Depends} Description: Evaluate the integrals in modern atomic and molecular theory (devel) The LIBINT library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. The idea of the library is to let computer write optimized code for computing such integrals. There are two primary advantages to this: much less human effort is required to write code for computing new integrals, and code can be optimized specifically for a particular computer architecture (e.g., vector processor). . LIBINT has been utilized to implement methods such as Hartree-Fock (HF) and Kohn-Sham density functional theory (KS DFT), second-order Moeller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD) method, as well as explicitly correlated R12 methods. . This package contains the development header files. Package: libint-dbg Section: debug Priority: extra Architecture: any Depends: libint1 (= ${binary:Version}), ${misc:Depends} Description: Evaluate the integrals in modern atomic and molecular theory (debug) The LIBINT library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. The idea of the library is to let computer write optimized code for computing such integrals. There are two primary advantages to this: much less human effort is required to write code for computing new integrals, and code can be optimized specifically for a particular computer architecture (e.g., vector processor). . LIBINT has been utilized to implement methods such as Hartree-Fock (HF) and Kohn-Sham density functional theory (KS DFT), second-order Moeller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD) method, as well as explicitly correlated R12 methods. . This package contains the detached debugging symbols. debian/patches/0000775000000000000000000000000012265635527010634 5ustar debian/patches/fix_doc_makefile.patch0000775000000000000000000000112712146235441015116 0ustar ## 01_fix_doc_makefile.dpatch by Daniel Leidert (dale) ## ## All lines beginning with `## DP:' are a description of the patch. ## DP: No description. diff -urNad libint~/doc/progman/Makefile libint/doc/progman/Makefile --- libint~/doc/progman/Makefile 2007-08-29 19:01:47.000000000 +0200 +++ libint/doc/progman/Makefile 2007-08-30 01:27:52.000000000 +0200 @@ -8,5 +8,5 @@ -include $(TOPDIR)/doc/MakeVars -include $(TOPDIR)/doc/MakeRules --include $(TOPDIR)/doc/MakeSuffixRules +include $(SRCDIR)/$(TOPDIR)/lib/MakeSuffixRules include $(SRCDIR)/$(TOPDIR)/lib/MakeRules debian/patches/enable_hardening.patch0000664000000000000000000000115612146235441015112 0ustar Author: Daniel Leidert Description: Fix build enabling hardening flags. --- a/src/bin/libint/build_libint.c +++ b/src/bin/libint/build_libint.c @@ -219,7 +219,7 @@ void punt(char* str) { - printf(str); + printf("%s",str); exit(1); } --- a/src/bin/libderiv/build_libderiv.c +++ b/src/bin/libderiv/build_libderiv.c @@ -289,7 +289,7 @@ void punt(char* str) { - printf(str); + printf("%s",str); exit(1); } --- a/src/bin/libr12/build_libr12.c +++ b/src/bin/libr12/build_libr12.c @@ -195,7 +195,7 @@ void punt(char* str) { - printf(str); + printf("%s",str); exit(1); } debian/patches/fix_makefiles.patch0000664000000000000000000000157712150466523014464 0ustar Author: Daniel Leidert Description: Enable LDFLAGS and disable rpath. Fix SHELL setting. For some reason `/bin/sh path/to/libtool' fails if /bin/sh is a symlink to dash. --- a/src/lib/MakeVars.in +++ b/src/lib/MakeVars.in @@ -36,12 +36,12 @@ ENABLESHARED = @ENABLESHARED@ ifeq ($(ENABLESHARED),yes) - LIBTOOL = $(SHELL) $(TOPDIR)/libtool + LIBTOOL = /bin/bash $(TOPDIR)/libtool LTLINK = $(LIBTOOL) --mode=link ifneq ($(BUILDID),) - LTLINKLIBOPTS = -rpath $(libdir) -release $(BUILDID) -version-info $(LIBINT_SO_VERSION) + LTLINKLIBOPTS = -rpath $(libdir) -release $(BUILDID) -version-info $(LIBINT_SO_VERSION) $(LDFLAGS) else - LTLINKLIBOPTS = -rpath $(libdir) -version-info $(LIBINT_SO_VERSION) + LTLINKLIBOPTS = -rpath $(libdir) -version-info $(LIBINT_SO_VERSION) $(LDFLAGS) endif LTLINKBINOPTS = LTCOMP = $(LIBTOOL) --mode=compile debian/patches/series0000664000000000000000000000010212146235441012027 0ustar fix_makefiles.patch fix_doc_makefile.patch enable_hardening.patch debian/libint1.install0000664000000000000000000000002211716030737012121 0ustar usr/lib/lib*.so.*