--- abinit-5.3.4.dfsg.orig/debian/docs +++ abinit-5.3.4.dfsg/debian/docs @@ -0,0 +1,5 @@ +NEWS +README +README.ChangeLog +TODO +README.ChangeLog --- abinit-5.3.4.dfsg.orig/debian/rules +++ abinit-5.3.4.dfsg/debian/rules @@ -0,0 +1,144 @@ +#!/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 + + +# These are used for cross-compiling and for saving the configure script +# from having to guess our platform (since we know it already) +DEB_HOST_GNU_TYPE ?= $(shell dpkg-architecture -qDEB_HOST_GNU_TYPE) +DEB_BUILD_GNU_TYPE ?= $(shell dpkg-architecture -qDEB_BUILD_GNU_TYPE) + + +CFLAGS = -Wall -g + +ifneq (,$(findstring noopt,$(DEB_BUILD_OPTIONS))) + CFLAGS += -O0 + FFLAGS += -O0 +else + CFLAGS += -O2 + FFLAGS += -O2 +endif + +config.status: configure + dh_testdir + # Add here commands to configure the package. + QUILT_PATCHES=debian/patches quilt push -a || test $$? = 2 +ifneq "$(wildcard /usr/share/misc/config.sub)" "" + cp -f /usr/share/misc/config.sub config.sub +endif +ifneq "$(wildcard /usr/share/misc/config.guess)" "" + cp -f /usr/share/misc/config.guess config.guess +endif + ./configure \ + --host=$(DEB_HOST_GNU_TYPE) --build=$(DEB_BUILD_GNU_TYPE) \ + --prefix=/usr \ + --mandir=\$${prefix}/share/man \ + --infodir=\$${prefix}/share/info \ + --with-cc-optflags="-O2" \ + --with-cxx-optflags="-O2" \ + --with-fc-optflags="-O2" \ + --with-linalg-ldflags="-lblas -llapack" \ + CFLAGS="$(CFLAGS)" LDFLAGS="-Wl,-z,defs" + + +build: build-stamp + +build-stamp: config.status + dh_testdir + + # Add here commands to compile the package. + $(MAKE) + #docbook-to-man debian/abinit.sgml > abinit.1 + + touch $@ + +clean: + dh_testdir + dh_testroot + rm -f build-stamp + + # Add here commands to clean up after the build process. + QUILT_PATCHES=debian/patches quilt pop -a -R || test $$? = 2 + [ ! -f Makefile ] || $(MAKE) distclean + rm -f config.sub config.guess + + dh_clean + +install: build + dh_testdir + dh_testroot + dh_clean -k + dh_installdirs + + # Add here commands to install the package into debian/abinit. + $(MAKE) DESTDIR=$(CURDIR)/debian/abinit-tmp install + mv debian/abinit-tmp/usr/abinit/5.3/bin/* debian/abinit/usr/bin + mkdir -p debian/abinit/usr/share/man/man1 + cp debian/abinit-tmp/usr/abinit/5.3/doc/manpages/abinit.1 debian/abinit/usr/share/man/man1 + mkdir -p debian/abinit-doc/usr/share/doc/abinit-doc/ + mv debian/abinit-tmp/usr/abinit/5.3/doc/* debian/abinit-doc/usr/share/doc/abinit-doc/ + mv debian/abinit-tmp/usr/abinit/5.3/tests debian/abinit-doc/usr/share/doc/abinit-doc/ + mv debian/abinit/usr/bin/newsp debian/abinit/usr/bin/newsp.abinit + + +# Build architecture-independent files here. +binary-indep: build install +# We have nothing to do by default. + +# Build architecture-dependent files here. +binary-arch: build install + dh_testdir + dh_testroot + dh_installchangelogs ChangeLog + dh_installdocs + dh_installexamples +# dh_install +# dh_installmenu +# dh_installdebconf +# dh_installlogrotate +# dh_installemacsen +# dh_installpam +# dh_installmime +# dh_python +# dh_installinit +# dh_installcron +# dh_installinfo + dh_installman + dh_link + dh_strip + dh_compress + dh_fixperms +# dh_perl +# dh_makeshlibs + dh_installdeb + dh_shlibdeps + dh_gencontrol + dh_md5sums + dh_builddeb + +binary: binary-indep binary-arch +.PHONY: build clean binary-indep binary-arch binary install + +orig-tarball: + mkdir tmp; \ + cd tmp; \ + wget ftp://ftp.abinit.org/pub/abinitio/ABINIT_v5.3.4/abinit-5.3.4.tar.gz; \ + tar xzf abinit-5.3.4.tar.gz; \ + cd abinit-5.3.4; \ + rm doc/users/AbinitBandStructureMaker_manual.pdf doc/users/questionscheme.pdf doc/users/elphon_manual.ps doc/theory/vanderbilt-anaddb-notes.pdf doc/theory/elasticity-oganov.pdf doc/theory/Figure.png doc/theory/Figure.eps doc/theory/gwa.pdf doc/developers/strain_nonlocal/strainpert.pdf; \ + rm lib/bigdft/bigdft-0.9.tar; \ + rm lib/etsf_io/etsf_io-0.7.tar; \ + rm lib/etsf_xc/etsf_xc-0.9.tar; \ + rm lib/linalg/lapack-pre_abinit_3.2.tar; \ + rm lib/netcdf/netcdf-3.6.2.tar; \ + rm lib/xmlf90/xmlf90-1.2g.tar; \ + cd .. ; \ + tar czf ../abinit_5.3.4.dfsg.orig.tar.gz abinit-5.3.4; \ + cd ..; rm -rf tmp --- abinit-5.3.4.dfsg.orig/debian/copyright +++ abinit-5.3.4.dfsg/debian/copyright @@ -0,0 +1,82 @@ +This package was debianized by Ondrej Certik on +Fri, 27 Jul 2007 18:53:34 +0200. + +The current Debian maintainer is Debian Scientific Computing Team + +It was downloaded from ftp://ftp.abinit.org/pub/abinitio/ABINIT_v5.3.4/abinit-5.3.4.tar.gz + +The upstream tarball was unpacked and the following files removed (because +their source is not included, or are libraries, that are not necessary, or are +already in Debian) and packed again: + +doc/users/AbinitBandStructureMaker_manual.pdf +doc/users/questionscheme.pdf +doc/users/elphon_manual.ps +doc/theory/vanderbilt-anaddb-notes.pdf +doc/theory/elasticity-oganov.pdf +doc/theory/Figure.png doc/theory/Figure.eps +doc/theory/gwa.pdf +doc/developers/strain_nonlocal/strainpert.pdf +lib/bigdft/bigdft-0.9.tar +lib/etsf_io/etsf_io-0.7.tar +lib/etsf_xc/etsf_xc-0.9.tar +lib/linalg/lapack-pre_abinit_3.2.tar +lib/netcdf/netcdf-3.6.2.tar +lib/xmlf90/xmlf90-1.2g.tar + +You can use: + +debian/rules orig-tarball + +to perform all of the operations above to generate the dfsg.orig.tar.gz. + +Upstream Author: + + Prof. Xavier Gonze + Université catholique de Louvain + Lab PCPM (Physico-Chemistry and Physics of Materials) + 1, Place Croix du Sud + Louvain-la-Neuve, BELGIUM + Tel : +3210472076 Fax : +3210473452 + +Copyright and License: + + Copyright (C) 1998-2005 ABINIT group (XG,DCA,RC) + + 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, 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; see the file COPYING. If not, write to + the Free Software Foundation, Inc., 51 Franklin St, Fifth Floor, + Boston, MA 02110-1301, USA. + +The package lib/bigdft is copyright: + + Copyright (C) 2006 BigDFT Group + + 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, 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; see the file COPYING. If not, write to + the Free Software Foundation, Inc., 51 Franklin St, Fifth Floor, + Boston, MA 02110-1301, USA. + + +The Debian packaging is (C) 2007, Ondrej Certik and +is licensed under the GPL, see `/usr/share/common-licenses/GPL'. --- abinit-5.3.4.dfsg.orig/debian/README.Debian +++ abinit-5.3.4.dfsg/debian/README.Debian @@ -0,0 +1,186 @@ +abinit for Debian +----------------- + +How to run the lesson 1 from the tutorial: install the abinit-doc package, and +create the file "t1x.files": + +$ cat t1x.files +/usr/share/doc/abinit-doc/tests/tutorial/Input/t11.in +t11.out +t1xi +t1xo +t1x +/usr/share/doc/abinit-doc/tests/Psps_for_tests/01h.pspgth + +Then run abinit using: + +$ abinis < t1x.files > log + +Now test, that you got a correct result by: + +$ zcat /usr/share/doc/abinit-doc/tests/tutorial/Refs/t11.out.gz | diff t11.out - + +You should get only minor differences (different filenames, differences in +energies like 1e-10 etc.). The output on my computer is: + +2,3c2,3 +< .Version 5.3.4 of ABINIT +< .(sequential version, prepared for a i486_linux_UNKNOWN computer) +--- +> .Version 5.3.3 of ABINIT +> .(sequential version, prepared for a x86_64_linux_pgi computer) +17c17 +< .Starting date : Fri 27 Jul 2007. +--- +> .Starting date : Fri 23 Feb 2007. +19c19 +< - input file -> /usr/share/doc/abinit-doc/tests/tutorial/Input/t11.in +--- +> - input file -> +> /home/gonze/ABINIT/ABINITv5.3.3/abinit-release--gonze--5.3.3/tests/tutorial/Input/t11.in +21,22c21,22 +< - root for input files -> t1xi +< - root for output files -> t1xo +--- +> - root for input files -> t11i +> - root for output files -> t11o +35c35 +< P This job should need less than 7.900 Mbytes of +memory. +--- +> P This job should need less than 4.169 Mbytes of +> memory. +92,93c92,93 +< - pspini: atom type 1 psp file is +/usr/share/doc/abinit-doc/tests/Psps_for_tests/01h.pspgth +< - pspatm: opening atomic psp file +/usr/share/doc/abinit-doc/tests/Psps_for_tests/01h.pspgth +--- +> - pspini: atom type 1 psp file is +> /home/gonze/ABINIT/ABINITv5.3.3/abinit-release--gonze--5.3.3/tests/Psps_for_tests/01h.pspgth +> - pspatm: opening atomic psp file +> /home/gonze/ABINIT/ABINITv5.3.3/abinit-release--gonze--5.3.3/tests/Psps_for_tests/01h.pspgth +122c122 +< ETOT 1 -1.1013391225240 -1.101E+00 4.220E-04 8.396E+00 2.458E-02 +2.458E-02 +--- +> ETOT 1 -1.1013391225242 -1.101E+00 4.220E-04 8.396E+00 2.458E-02 +> 2.458E-02 +124c124 +< ETOT 3 -1.1037170965208 -2.313E-05 7.389E-08 1.549E-02 1.207E-03 +3.662E-02 +--- +> ETOT 3 -1.1037170965209 -2.313E-05 7.389E-08 1.549E-02 1.207E-03 +> 3.662E-02 +127c127 +< ETOT 6 -1.1037224213136 -9.039E-11 5.808E-12 3.076E-07 1.238E-06 +3.741E-02 +--- +> ETOT 6 -1.1037224213136 -9.037E-11 5.808E-12 3.076E-07 1.238E-06 +> 3.741E-02 +130c130 +< for the second time, diff in etot= 9.039E-11 < toldfe= 1.000E-06 +--- +> for the second time, diff in etot= 9.037E-11 < toldfe= 1.000E-06 +148,149c148,149 +< 1 0.374055887121 0.000000000000 0.000000000000 +< 2 -0.374055887121 0.000000000000 0.000000000000 +--- +> 1 0.374055887122 0.000000000000 0.000000000000 +> 2 -0.374055887122 0.000000000000 0.000000000000 +156,157c156,157 +< 1 -0.03740558871212 0.00000000000000 0.00000000000000 +< 2 0.03740558871212 0.00000000000000 0.00000000000000 +--- +> 1 -0.03740558871217 0.00000000000000 0.00000000000000 +> 2 0.03740558871217 0.00000000000000 0.00000000000000 +161,162c161,162 +< 1 -1.92347258370300 0.00000000000000 0.00000000000000 +< 2 1.92347258370300 0.00000000000000 0.00000000000000 +--- +> 1 -1.92347258370579 0.00000000000000 0.00000000000000 +> 2 1.92347258370579 0.00000000000000 0.00000000000000 +166c166 +< prteigrs : about to open file t1xo_EIG +--- +> prteigrs : about to open file t11o_EIG +180,182c180,182 +< Kinetic energy = 1.00347260970075E+00 +< Hartree energy = 7.18370391928635E-01 +< XC energy = -6.34653320022680E-01 +--- +> Kinetic energy = 1.00347260970065E+00 +> Hartree energy = 7.18370391928606E-01 +> XC energy = -6.34653320022650E-01 +184,185c184,185 +< PspCore energy = -1.92143215271888E-05 +< Loc. psp. energy= -2.34194400712442E+00 +--- +> PspCore energy = -1.92143215271889E-05 +> Loc. psp. energy= -2.34194400712430E+00 +187c187 +< >>>>>>>>> Etotal= -1.10372242131363E+00 +--- +> >>>>>>>>> Etotal= -1.10372242131361E+00 +190c190 +< Total energy(eV)= -3.00338151876361E+01 ; Band energy (Ha)= +-7.3049716750E-01 +--- +> Total energy(eV)= -3.00338151876356E+01 ; Band energy (Ha)= +> -7.3049716750E-01 +247,248c247,248 +< - Total cpu time (s,m,h): 1.8 0.03 0.001 +< - Total wall clock time (s,m,h): 1.9 0.03 0.001 +--- +> - Total cpu time (s,m,h): 1.7 0.03 0.000 +> - Total wall clock time (s,m,h): 1.8 0.03 0.001 +255,272c255,273 +< - fourwf(pot) 0.592 32.7 0.600 30.8 75 +< - timing timab 0.364 20.1 0.363 18.6 10 +< - fourdp 0.236 13.1 0.227 11.7 31 +< - invars2 0.136 7.5 0.135 6.9 1 +< - xc:pot/=fourdp 0.068 3.8 0.066 3.4 7 +< - abinit(2) 0.052 2.9 0.054 2.8 1 +< - forces 0.048 2.7 0.047 2.4 6 +< - symrhg(no FFT) 0.040 2.2 0.041 2.1 6 +< - fourwf(den) 0.028 1.5 0.026 1.3 6 +< - stress 0.016 0.9 0.018 0.9 1 +< - vtorho(4)-mkrho- 0.012 0.7 0.010 0.5 6 +< - ewald 0.012 0.7 0.012 0.6 1 +< - setsym 0.012 0.7 0.012 0.6 1 +< - vtorho (1) 0.008 0.4 0.013 0.7 6 +< - vtorho-kpt loop 0.004 0.2 0.016 0.8 6 +< - vtowfk(ssdiag) 0.000 0.0 0.077 4.0 -1 +< - status 0.000 0.0 0.141 7.2 230 +< - 49 others 0.032 1.8 0.027 1.4 +--- +> - timing timab 0.390 22.7 0.444 24.3 8 +> - fourwf(pot) 0.380 22.1 0.345 18.9 75 +> - invars2 0.260 15.1 0.269 14.7 1 +> - fourdp 0.150 8.7 0.162 8.9 31 +> - xc:pot/=fourdp 0.100 5.8 0.079 4.3 7 +> - symrhg(no FFT) 0.100 5.8 0.102 5.6 6 +> - abinit(2) 0.060 3.5 0.087 4.8 1 +> - forces 0.060 3.5 0.055 3.0 6 +> - vtorho(4)-mkrho- 0.040 2.3 0.013 0.7 6 +> - stress 0.020 1.2 0.017 0.9 1 +> - fourwf(den) 0.010 0.6 0.013 0.7 6 +> - ewald 0.010 0.6 0.011 0.6 1 +> - setsym 0.010 0.6 0.015 0.8 1 +> - vtorho-kpt loop 0.010 0.6 0.003 0.2 6 +> - ewald2 0.010 0.6 0.007 0.4 1 +> - getghc-other 0.010 0.6 0.008 0.4 -1 +> - projbd 0.010 0.6 0.009 0.5 118 +> - vtorho (1) 0.000 0.0 0.012 0.7 6 +> - 48 others 0.000 0.0 0.022 1.2 +274c275 +< - subtotal 1.660 91.8 1.885 96.8 +--- +> - subtotal 1.630 94.8 1.673 91.6 +280c281 +< +Overall time at end (sec) : cpu= 1.8 wall= 1.9 +--- +> +Overall time at end (sec) : cpu= 1.7 wall= 1.8 + + + -- Ondrej Certik Fri, 27 Jul 2007 18:53:34 +0200 --- abinit-5.3.4.dfsg.orig/debian/patches/series +++ abinit-5.3.4.dfsg/debian/patches/series @@ -0,0 +1 @@ +doc.Makefile.in.patch --- abinit-5.3.4.dfsg.orig/debian/patches/doc.Makefile.in.patch +++ abinit-5.3.4.dfsg/debian/patches/doc.Makefile.in.patch @@ -0,0 +1,98 @@ +Index: abinit-5.3.4.dfsg/doc/Makefile.in +=================================================================== +--- abinit-5.3.4.dfsg.orig/doc/Makefile.in 2008-02-05 14:05:54.144143184 +0100 ++++ abinit-5.3.4.dfsg/doc/Makefile.in 2008-02-05 14:06:17.960102149 +0100 +@@ -542,24 +542,18 @@ + ./developers/strain_nonlocal/make_metstr3.m \ + ./developers/strain_nonlocal/fort_2fix.scr \ + ./developers/strain_nonlocal/make_metintstrv.m \ +- ./developers/strain_nonlocal/strainpert.pdf \ + ./developers/strain_nonlocal/d2term1.fort \ + ./developers/strain_nonlocal/format_code.c \ + ./developers/strain_nonlocal/README \ + ./developers/strain_nonlocal/make_metintstr.m \ +- ./theory/vanderbilt-anaddb-notes.pdf \ + ./theory/1WF.pdf \ +- ./theory/elasticity-oganov.pdf \ + ./theory/noncol.tex \ + ./theory/geometry.pdf \ +- ./theory/Figure.png \ + ./theory/set_WFs.pdf \ + ./theory/geometry.tex \ + ./theory/1WF.tex \ + ./theory/README \ +- ./theory/gwa.pdf \ + ./theory/set_WFs.tex \ +- ./theory/Figure.eps \ + ./theory/noncol.pdf \ + ./presentation/presentation.pdf \ + ./presentation/reliable.tex \ +@@ -596,13 +590,11 @@ + ./users/ddbs_upgrade.txt \ + ./users/mrgddb_help.html \ + ./users/problem_report.txt \ +- ./users/questionscheme.pdf \ + ./users/cut3d_help.html \ + ./users/gwmanual.txt \ + ./users/aim_help.html \ + ./users/optic_help.html \ + ./users/spgrhead.html \ +- ./users/elphon_manual.ps \ + ./users/positronmanual.txt \ + ./users/aimhelp.tex \ + ./users/formabinit.css \ +@@ -610,7 +602,6 @@ + ./users/other_codes.txt \ + ./users/abinis_help.html \ + ./users/spacegrouphelpfile.html \ +- ./users/AbinitBandStructureMaker_manual.pdf \ + ./users/spgrdefinition.html \ + ./users/respfn_help.html \ + ./users/newsp_help.txt \ +@@ -1035,24 +1026,18 @@ + $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/make_metstr3.m' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' + $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/fort_2fix.scr' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' + $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/make_metintstrv.m' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' +- $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/strainpert.pdf' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' + $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/d2term1.fort' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' + $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/format_code.c' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' + $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/README' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' + $(INSTALL_DATA) '$(srcdir)/developers/strain_nonlocal/make_metintstr.m' '$(DESTDIR)$(abinit_docdir)/developers/strain_nonlocal' +- $(INSTALL_DATA) '$(srcdir)/theory/vanderbilt-anaddb-notes.pdf' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/1WF.pdf' '$(DESTDIR)$(abinit_docdir)/theory' +- $(INSTALL_DATA) '$(srcdir)/theory/elasticity-oganov.pdf' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/noncol.tex' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/geometry.pdf' '$(DESTDIR)$(abinit_docdir)/theory' +- $(INSTALL_DATA) '$(srcdir)/theory/Figure.png' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/set_WFs.pdf' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/geometry.tex' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/1WF.tex' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/README' '$(DESTDIR)$(abinit_docdir)/theory' +- $(INSTALL_DATA) '$(srcdir)/theory/gwa.pdf' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/set_WFs.tex' '$(DESTDIR)$(abinit_docdir)/theory' +- $(INSTALL_DATA) '$(srcdir)/theory/Figure.eps' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/theory/noncol.pdf' '$(DESTDIR)$(abinit_docdir)/theory' + $(INSTALL_DATA) '$(srcdir)/presentation/presentation.pdf' '$(DESTDIR)$(abinit_docdir)/presentation' + $(INSTALL_DATA) '$(srcdir)/presentation/reliable.tex' '$(DESTDIR)$(abinit_docdir)/presentation' +@@ -1089,13 +1074,11 @@ + $(INSTALL_DATA) '$(srcdir)/users/ddbs_upgrade.txt' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/mrgddb_help.html' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/problem_report.txt' '$(DESTDIR)$(abinit_docdir)/users' +- $(INSTALL_DATA) '$(srcdir)/users/questionscheme.pdf' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/cut3d_help.html' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/gwmanual.txt' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/aim_help.html' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/optic_help.html' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/spgrhead.html' '$(DESTDIR)$(abinit_docdir)/users' +- $(INSTALL_DATA) '$(srcdir)/users/elphon_manual.ps' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/positronmanual.txt' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/aimhelp.tex' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/formabinit.css' '$(DESTDIR)$(abinit_docdir)/users' +@@ -1103,7 +1086,6 @@ + $(INSTALL_DATA) '$(srcdir)/users/other_codes.txt' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/abinis_help.html' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/spacegrouphelpfile.html' '$(DESTDIR)$(abinit_docdir)/users' +- $(INSTALL_DATA) '$(srcdir)/users/AbinitBandStructureMaker_manual.pdf' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/spgrdefinition.html' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/respfn_help.html' '$(DESTDIR)$(abinit_docdir)/users' + $(INSTALL_DATA) '$(srcdir)/users/newsp_help.txt' '$(DESTDIR)$(abinit_docdir)/users' --- abinit-5.3.4.dfsg.orig/debian/watch +++ abinit-5.3.4.dfsg/debian/watch @@ -0,0 +1,4 @@ +version=3 +opts=downloadurlmangle=s/_/./g;s/.*?text=([\d\.]+)$/ftp:\/\/ftp\.abinit\.org\/pub\/abinitio\/ABINIT_v$1\/abinit-$1.tar.gz/,filenamemangle=s/_/./g;s/.*?text=([\d\.]+)/abinit-$1.tar.gz/ \ + http://www.abinit.org/package/?text=package \ + \.\./package/\?text=(\d+)_(\d+)_(\d+) --- abinit-5.3.4.dfsg.orig/debian/compat +++ abinit-5.3.4.dfsg/debian/compat @@ -0,0 +1 @@ +5 --- abinit-5.3.4.dfsg.orig/debian/control +++ abinit-5.3.4.dfsg/debian/control @@ -0,0 +1,50 @@ +Source: abinit +Section: science +Priority: extra +Maintainer: Debian Scientific Computing Team +Uploaders: Christophe Prud'homme , Ondrej Certik +Build-Depends: debhelper (>= 5), autotools-dev, gfortran (>= 4:4.2-1), liblapack-dev (>= 3.0.20000531a-1.1), quilt (>= 0.46-4) +Standards-Version: 3.7.3 +Homepage: http://www.abinit.org/ +XS-DM-Upload-Allowed: yes + +Package: abinit +Architecture: any +Depends: ${shlibs:Depends}, ${misc:Depends} +Suggests: abinit-doc +Description: A package for electronic structure calculations + ABINIT is a package whose main program allows one to find the total energy, + charge density and electronic structure of systems made of electrons and + nuclei (molecules and periodic solids) within Density Functional Theory (DFT), + using pseudopotentials and a planewave basis. + . + ABINIT also includes options to optimize the geometry according to the DFT + forces and stresses, or to perform molecular dynamics simulations using these + forces, or to generate dynamical matrices, Born effective charges, and + dielectric tensors. Excited states can be computed within the Time-Dependent + Density Functional Theory (for molecules), or within Many-Body Perturbation + Theory (the GW approximation). In addition to the main ABINIT code, different + utility programs are provided. + . + This package contains all programs needed to perform calculations. For + documentation and tests, install the abinit-doc package. + +Package: abinit-doc +Architecture: all +Depends: ${shlibs:Depends}, ${misc:Depends} +Section: doc +Description: A package for electronic structure calculations + ABINIT is a package whose main program allows one to find the total energy, + charge density and electronic structure of systems made of electrons and + nuclei (molecules and periodic solids) within Density Functional Theory (DFT), + using pseudopotentials and a planewave basis. + . + ABINIT also includes options to optimize the geometry according to the DFT + forces and stresses, or to perform molecular dynamics simulations using these + forces, or to generate dynamical matrices, Born effective charges, and + dielectric tensors. Excited states can be computed within the Time-Dependent + Density Functional Theory (for molecules), or within Many-Body Perturbation + Theory (the GW approximation). In addition to the main ABINIT code, different + utility programs are provided. + . + This package contains documentation and tests. --- abinit-5.3.4.dfsg.orig/debian/changelog +++ abinit-5.3.4.dfsg/debian/changelog @@ -0,0 +1,44 @@ +abinit (5.3.4.dfsg-3) unstable; urgency=low + + * Add XS-DM-Upload-Allowed: yes + * shifted Build-Depends to use the new gfortran based Lapack and Blas + packages in order to phase out packages dependent on the old g2c/g77 + (Closes: #463942) + * Homepage field converted to the new style + * Standards version updated to 3.7.3 + * Old FSF address fixed in debian/copyright + * abinit-doc moved to the section doc. + * doc/Makefile.in patch moved to debian/patches managed by quilt + + -- Ondrej Certik Tue, 05 Feb 2008 14:09:20 +0100 + +abinit (5.3.4.dfsg-2) unstable; urgency=low + + [Ondrej Certik] + * Renamed /usr/bin/newsp to /usr/bin/newsp.abinit. Bug fix: "file + conflicts between packages", thanks to Michael Ablassmeier (Closes: + #442237). + + -- Christophe Prud'homme Fri, 14 Sep 2007 13:05:00 +0200 + +abinit (5.3.4.dfsg-1) unstable; urgency=low + + [Christophe Prud'homme] + * Uploaded abinit to main (Closes: #434912) + * debian/control: updated Maintainers and added Uploaders section + * debian/rules: enable optimization flags (-O2) + + [Ondrej Certik] + * Removed non-free files and unnecessary libraries from the upstream tarball + (see debian/copyright for more details) + + -- Christophe Prud'homme Sat, 28 Jul 2007 15:04:18 +0200 + +abinit (5.3.4-0oc1) unstable; urgency=low + + * Unofficial release, packages work, but are not lintian clean yet and + other small issues are still there. + * Initial release (Closes: #434912) + + -- Ondrej Certik Fri, 27 Jul 2007 18:53:34 +0200 + --- abinit-5.3.4.dfsg.orig/debian/dirs +++ abinit-5.3.4.dfsg/debian/dirs @@ -0,0 +1,2 @@ +usr/bin +usr/sbin