debian/0000775000000000000000000000000012262450216007170 5ustar debian/rules0000775000000000000000000000037012262450117010250 0ustar #!/usr/bin/make -f # -*- makefile -*- #export DH_VERBOSE=1 export FCCPP=/lib/cpp -C -ansi -ffreestanding %: dh $@ --with autoreconf override_dh_auto_configure: dh_auto_configure -- --enable-shared override_dh_auto_test: -dh_auto_test -- -k debian/changelog0000664000000000000000000000051012262450202011031 0ustar libxc (2.0.2-1ubuntu1) trusty; urgency=medium * Use dh-autoreconf to get new libtool macros for ppc64el. -- Logan Rosen Mon, 06 Jan 2014 01:42:51 -0500 libxc (2.0.2-1) unstable; urgency=low * Initial release (Closes: #602110). -- Michael Banck Mon, 29 Jul 2013 10:57:27 +0200 debian/upstream0000664000000000000000000000107612175423412010760 0ustar Name: LibXC Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc Repository: http://www.tddft.org/svn/octopus/trunk/libxc/ Repository-Browse: http://www.tddft.org/svn/octopus/trunk/libxc/ Reference: - Author: M. A. L. Marques and M. J. T. Oliveira and and Tobias Burnus Title: "Libxc: a library of exchange and correlation functionals for density functional theory" Journal: Comp. Phys. Comm. Year: 2012 Volume: 183 Pages: 2272-2281 DOI: 10.1016/j.cpc.2012.05.007 URL: http://www.sciencedirect.com/science/article/pii/S0010465512001750 debian/compat0000664000000000000000000000000212170015763010370 0ustar 8 debian/copyright0000664000000000000000000000476212175263755011151 0ustar This work was packaged for Debian by: Michael Banck on Fri, 12 Jul 2013 00:47:49 +0200 It was downloaded from: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc:download Upstream Authors: Miguel A. L. Marques, Micael Oliveira, Tobias Burnus, Georg Madsen and Xavier Andrade Copyright: src/*: Copyright (C) 2006-2009 M. A. L. Marques src/gga_x_airy.c,src/gga_x_pbea.c: Copyright (C) 2008 Georg Madsen src/libxc_master.F90: Copyright (C) 2003-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch src/mgga_x_2d_prhg07.c: Copyright (C) 2006-2009 J.I.J. Ojajarvi src/integrate.c: Copyright (C) 2001-2004 the R Development Core Team License: This package is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This package 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 Lesser General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see . On Debian systems, the complete text of the GNU Lesser General Public License can be found in "/usr/share/common-licenses/LGPL-3". src/string_f.h: Copyright (C) 2003 M. Marques, A. Castro, A. Rubio, G. Bertsch License: This package is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This package 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 Lesser General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see . On Debian systems, the complete text of the GNU Lesser General Public License can be found in "/usr/share/common-licenses/LGPL-2". The Debian packaging is: Copyright (C) 2013 Michael Banck and is licensed under the same LGPLv3+ license as the upstream code. debian/source/0000775000000000000000000000000012170015763010472 5ustar debian/source/format0000664000000000000000000000001412170015763011700 0ustar 3.0 (quilt) debian/libxc1.install0000664000000000000000000000002412170015763011740 0ustar /usr/lib/libxc.so.* debian/libxc-dev.install0000664000000000000000000000011412174201170012424 0ustar /usr/lib/libxc.a /usr/lib/libxc.so /usr/lib/pkgconfig/libxc.pc /usr/include debian/control0000664000000000000000000000364212262450214010576 0ustar Source: libxc Section: science Priority: optional Maintainer: Ubuntu Developers XSBC-Original-Maintainer: Debichem Team Uploaders: Michael Banck Build-Depends: debhelper (>> 8), dh-autoreconf, gfortran Standards-Version: 3.9.4 Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc Vcs-Browser: http://svn.debian.org/wsvn/debichem/unstable/libxc/ Vcs-Svn: svn://svn.debian.org/svn/debichem/unstable/libxc/ Package: libxc1 Architecture: any Section: libs Depends: ${shlibs:Depends}, ${misc:Depends} Description: Library of Exchange-Correlation Functionals LibXC is a library of exchange-correlation (XC) functionals for density-functional theory (DFT). The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by other codes. Supported XC functionals include: . * Local Density Approximation (LDA) functionals including Slater exchange, and VWN, Perdew-Zunger or PADE correlation. * Generalized Gradient Approximation (GGA) XC functionals including PBE, PW91, BLYP, HCTH93, HCTH120, HCTH147, HCTH407, as well as B88 exchange and LYP or P86 correlation. * Hybrid XC functionals including B3LYP, PBE0, B97, X3LYP, BHANDH, HSE03 and HSE06. * Meta-GGA XC functionals including TPSS, M05 and M06. Package: libxc-dev Architecture: any Section: libdevel Depends: libxc1 (= ${binary:Version}), ${shlibs:Depends}, ${misc:Depends} Description: Library of Exchange-Correlation Functionals (development files) LibXC is a library of exchange-correlation (XC) functionals for density-functional theory (DFT). The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by other codes. . This package contains the static library, the C headers and the Fortran modules necessary for developers. debian/docs0000664000000000000000000000002112170015763010036 0ustar NEWS README TODO debian/patches/0000775000000000000000000000000012174202153010614 5ustar debian/patches/series0000664000000000000000000000003712174202153012031 0ustar testsuite_support_tmpdir.patch debian/patches/testsuite_support_tmpdir.patch0000664000000000000000000000161012174202115017035 0ustar --- libxc-2.0.2.orig/testsuite/xc-run_testsuite +++ libxc-2.0.2/testsuite/xc-run_testsuite @@ -6,6 +6,12 @@ if [ -n "$SKIP_CHECK" ]; then exit 0 fi +if [ -n "$TMPDIR" ]; then + tmpdir=$TMPDIR +else + tmpdir=/tmp +fi + if [ -z "$srcdir" ]; then srcdir="./" fi @@ -17,14 +23,14 @@ fi ok=0 echo -e "\033[33;1mComparing against reference data\033[0m" for i in `ls $srcdir/regression/*.data.bz2 | sort`; do - bunzip2 -c $i >/tmp/$$.data_ref func=`basename $i .data.bz2` fname=`printf '%-30s' $func` + bunzip2 -c $i >$tmpdir/$func.data_ref echo -ne "\033[0m :: Testing \033[35;1m$fname" - $builddir/xc-regression $func >/tmp/$$data_test + $builddir/xc-regression $func >$tmpdir/$func.data_test - res=`diff -q /tmp/$$.data_ref /tmp/$$data_test` + res=`diff -q $tmpdir/$func.data_ref $tmpdir/$func.data_test` if [ "x$res" = "x" ]; then echo -e "\033[32;1mOK" else