Import libint_1.2.1-1.debian.tar.xz

[dgit import tarball libint 1.2.1-1 libint_1.2.1-1.debian.tar.xz]

diff --git a/changelog b/changelog
new file mode 100644 (file)
index 0000000..ff46a0d
--- /dev/null
+++ b/changelog
@@ -0,0 +1,74 @@
+libint (1.2.1-1) unstable; urgency=medium
+
+  * New upstream release.
+
+  [ Michael Banck ]
+  * debian/control (Vcs-Browser, Vcs-Svn): Updated. 
+  * debian/watch: Updated to Github.
+  * debian/copyright: Update to GPL-3+.
+  * debian/control (Build-Depends): Added cmake.
+  * debian/rules: Build using cmake as well, needed in order to ship .cmake
+    files in libint-dev.
+  * debian/libint-dev.install: Install cmake files.
+  * debian/rules (override_dh_installchangelogs): Update changelog name.
+  * debian/control (libint-dbg): Remove package.
+  * debian/rules (override_dh_strip): Remove target.
+
+ -- Michael Banck <mbanck@debian.org>  Sat, 06 Jan 2018 15:48:17 +0100
+
+libint (1.1.6-2) unstable; urgency=medium
+
+  * debian/control (Build-Depends): Added dh-autoreconf.
+  * debian/rules: Use --with autoreconf instead of --with autotools_dev as dh
+    option.
+  * debian/rules (AUTOHEADER): New variable; set to true to skip running
+    autoheader during dh_autoreconf.
+
+ -- Michael Banck <mbanck@debian.org>  Thu, 06 Oct 2016 09:18:33 +0200
+
+libint (1.1.6-1) unstable; urgency=medium
+
+  * New upstream release.
+  * debian/patches/enable_hardening.patch: Removed, applied upstream.
+  * debian/rules (override_dh_auto_configure): Decrease libint-max-am to 5 for
+    CP2K compatibility. 
+
+ -- Michael Banck <mbanck@debian.org>  Thu, 06 Oct 2016 00:34:31 +0200
+
+libint (1.1.5-2) unstable; urgency=medium
+
+  * debian/rules (override_dh_auto_configure): Increase libint-max-am to 6,
+    libderiv-max-am1 to 4 and libderiv-max-am2 to 3.
+
+ -- Michael Banck <mbanck@debian.org>  Thu, 01 Oct 2015 17:52:38 +0200
+
+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 <debichem-devel@lists.alioth.debian.org>  Sun, 26 May 2013 22:44:51 +0200
+
+libint (1.1.4-1) unstable; urgency=low
+
+  * Initial upload (Closes: #425039).
+
+ -- Michael Banck <mbanck@debian.org>  Sun, 12 Feb 2012 22:15:45 +0100

diff --git a/compat b/compat
new file mode 100644 (file)
index 0000000..45a4fb7
--- /dev/null
+++ b/compat
@@ -0,0 +1 @@
+8

diff --git a/control b/control
new file mode 100644 (file)
index 0000000..5a6bc33
--- /dev/null
+++ b/control
@@ -0,0 +1,59 @@
+Source: libint
+Section: science
+Priority: optional
+Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
+Uploaders: Michael Banck <mbanck@debian.org>
+Build-Depends: autotools-dev (>> 20100122.1~),
+               cmake,
+               debhelper (>> 8),
+               dh-autoreconf,
+               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://anonscm.debian.org/viewvc/debichem/unstable/libint/
+Vcs-Svn: svn://anonscm.debian.org/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.

diff --git a/copyright b/copyright
new file mode 100644 (file)
index 0000000..74411d8
--- /dev/null
+++ b/copyright
@@ -0,0 +1,33 @@
+Format: http://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
+Upstream-Name: libint
+Upstream-Contact: Edward F. Valeev <edward.valeev@chemistry.gatech.edu>
+Source: http://sourceforge.net/p/libint/
+
+Files: *
+Copyright: Copyright (C) 1996-2013 Edward F. Valeev and Justin T. Fermann
+License: GPL-3+
+
+Files: debian/*
+Copyright: 2007-2013, The debichem team <debichem-devel@lists.alioth.debian.org>
+Comment:
+ This package was debianized by Daniel Leidert <daniel.leidert@wgdd.de> on
+ Sun, 10 Jun 2007 03:35:40 +0200.
+License: GPL-3+
+
+License: GPL-3+
+ 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".

diff --git a/libint-dev.dirs b/libint-dev.dirs
new file mode 100644 (file)
index 0000000..4418816
--- /dev/null
+++ b/libint-dev.dirs
@@ -0,0 +1,2 @@
+usr/lib
+usr/include

diff --git a/libint-dev.doc-base b/libint-dev.doc-base
new file mode 100644 (file)
index 0000000..fb9fc3f
--- /dev/null
+++ b/libint-dev.doc-base
@@ -0,0 +1,12 @@
+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
+

diff --git a/libint-dev.docs b/libint-dev.docs
new file mode 100644 (file)
index 0000000..7fad2df
--- /dev/null
+++ b/libint-dev.docs
@@ -0,0 +1 @@
+doc/progman/progman.pdf

diff --git a/libint-dev.install b/libint-dev.install
new file mode 100644 (file)
index 0000000..103f8eb
--- /dev/null
+++ b/libint-dev.install
@@ -0,0 +1,4 @@
+usr/include/*
+usr/lib/lib*.a
+usr/lib/lib*.so
+usr/share/cmake

diff --git a/libint1.dirs b/libint1.dirs
new file mode 100644 (file)
index 0000000..6845771
--- /dev/null
+++ b/libint1.dirs
@@ -0,0 +1 @@
+usr/lib

diff --git a/libint1.install b/libint1.install
new file mode 100644 (file)
index 0000000..d0dbfd1
--- /dev/null
+++ b/libint1.install
@@ -0,0 +1 @@
+usr/lib/lib*.so.*

diff --git a/libint1.links b/libint1.links
new file mode 100644 (file)
index 0000000..1b8b38e
--- /dev/null
+++ b/libint1.links
@@ -0,0 +1,3 @@
+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

diff --git a/libint1.lintian-overrides b/libint1.lintian-overrides
new file mode 100644 (file)
index 0000000..a2bbfe8
--- /dev/null
+++ b/libint1.lintian-overrides
@@ -0,0 +1,4 @@
+# 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

diff --git a/patches/fix_doc_makefile.patch b/patches/fix_doc_makefile.patch
new file mode 100755 (executable)
index 0000000..335e25a
--- /dev/null
+++ b/patches/fix_doc_makefile.patch
@@ -0,0 +1,15 @@
+## 01_fix_doc_makefile.dpatch by Daniel Leidert (dale) <daniel.leidert@wgdd.de>
+##
+## 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

diff --git a/patches/fix_makefiles.patch b/patches/fix_makefiles.patch
new file mode 100644 (file)
index 0000000..3b14912
--- /dev/null
+++ b/patches/fix_makefiles.patch
@@ -0,0 +1,23 @@
+Author: Daniel Leidert <dleidert@debian.org>
+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

diff --git a/patches/series b/patches/series
new file mode 100644 (file)
index 0000000..a0d1fa6
--- /dev/null
+++ b/patches/series
@@ -0,0 +1,2 @@
+fix_makefiles.patch
+fix_doc_makefile.patch

diff --git a/rules b/rules
new file mode 100755 (executable)
index 0000000..0c58153
--- /dev/null
+++ b/rules
@@ -0,0 +1,58 @@
+#!/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 $@ --with autoreconf --parallel
+
+override_dh_auto_clean:
+       rm -rf lib/.libs
+       dh_auto_clean
+       dh_auto_clean --buildsystem=cmake
+
+override_dh_auto_configure:
+       CONFIG_SHELL=/bin/bash dh_auto_configure -- \
+               --enable-shared \
+               --enable-deriv \
+               --enable-r12 \
+               --enable-debug=opt \
+               --with-libint-max-am=5 \
+               --with-libderiv-max-am1=4 \
+               --with-libderiv-max-am2=3 \
+               --prefix=/usr \
+               --with-cc-optflags="$(CFLAGS) $(CPPFLAGS)" \
+               --with-cxx-optflags="$(CXXFLAGS) $(CPPFLAGS)" \
+               --with-libdirs="$(LDFLAGS)"
+       dh_auto_configure --buildsystem=cmake --        \
+               -DCMAKE_BUILD_TYPE=RelWithDebInfo       \
+               -DCMAKE_INSTALL_LIBDIR=lib              \
+               -DMAX_AM_ERI=4
+
+override_dh_auto_build:
+       $(MAKE) -C doc
+       dh_auto_build
+       dh_auto_build --buildsystem=cmake
+
+override_dh_auto_install:
+       dh_auto_install
+       dh_auto_install --buildsystem=cmake
+
+override_dh_install:
+       dh_install --list-missing
+
+override_dh_installchangelogs:
+       dh_installchangelogs CHANGES

diff --git a/source/format b/source/format
new file mode 100644 (file)
index 0000000..163aaf8
--- /dev/null
+++ b/source/format
@@ -0,0 +1 @@
+3.0 (quilt)

diff --git a/upstream b/upstream
new file mode 100644 (file)
index 0000000..8ce278e
--- /dev/null
+++ b/upstream
@@ -0,0 +1,6 @@
+Name: libint
+Homepage: http://libint.valeyev.net
+Contact: Edward F. Valeev <evaleev@vt.edu>
+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/

diff --git a/watch b/watch
new file mode 100644 (file)
index 0000000..784c292
--- /dev/null
+++ b/watch
@@ -0,0 +1,5 @@
+# See uscan(1) for format
+
+version=3
+opts=uversionmangle=s/(\d+)-(\d+)-(\d+)/$1.$2.$3/ \
+https://github.com/evaleev/libint/releases .*/archive/release-([\d.-]+)\.tar\.(?:bz2|gz)