diff -Nru debichem-0.0.10/debian/changelog debichem-0.0.11/debian/changelog --- debichem-0.0.10/debian/changelog 2020-01-12 12:59:53.000000000 +0000 +++ debichem-0.0.11/debian/changelog 2021-02-07 22:42:29.000000000 +0000 @@ -1,3 +1,24 @@ +debichem (0.0.11) unstable; urgency=medium + + * Team upload. + + [ Andreas Tille ] + * DEP5 copyright + + [ Filippo Rusconi ] + * tasks/analytical-biochemistry: Added minexpert2, xtpcpp, toppic as Depends, + and libpwizlite-dev and libisospec++-dev as Suggests. + * tasks/analytical-biochemistry: Update description. + + [ Michael Banck ] + * tasks/cheminformatics: Added libopenchemlib-java. + * tasks/development: Added libopenmm-dev and libsymspg-dev. + * tasks/input-generation-output-processing: Addedd c2x and python3-pycifrw. + * tasks/molecular-modelling: Added mmb and openstructure. + * tasks/periodic-abinitio: Added wannier90. + + -- Michael Banck Sun, 07 Feb 2021 23:42:29 +0100 + debichem (0.0.10) unstable; urgency=medium * Team upload. diff -Nru debichem-0.0.10/debian/control debichem-0.0.11/debian/control --- debichem-0.0.10/debian/control 2020-01-12 12:59:53.000000000 +0000 +++ debichem-0.0.11/debian/control 2021-02-07 22:39:06.000000000 +0000 @@ -32,6 +32,8 @@ Recommends: libmstoolkit-tools, libpwiz-tools, lutefisk, + massxpert, + minexpert2, openms, python3-pymzml, r-cran-maldiquant, @@ -43,10 +45,13 @@ r-other-curvefdp, r-other-iwrlars, r-other-nitpick, - tandem-mass + tandem-mass, + toppic, + xtpcpp Suggests: biceps, + libisospec++-dev, libpwiz-dev, - massxpert, + libpwizlite-dev, mmass Description: DebiChem Analytical BioChemistry This metapackage will install packages which enable you to: @@ -55,7 +60,9 @@ - edit biopolymer sequences; - elaborate complex mass spectrometry workflows; - perform protein database searches using tandem-ms data; - - view and mine mass spectrometric data; + - visualize and explore mass spectrometric data; + - simulate isotopic clusters; + - implement proteomics workflows. Package: debichem-cheminformatics Section: metapackages @@ -63,12 +70,13 @@ Depends: ${misc:Depends}, debichem-tasks (= ${source:Version}) Recommends: libcdk-java, + libopenchemlib-java, libopsin-java, openbabel, + python3-indigo, python3-openbabel, python3-rdkit -Suggests: python3-cinfony, - python3-indigo +Suggests: python3-cinfony Description: DebiChem Cheminformatics This metapackage will install cheminformatics packages useful for chemists. @@ -101,9 +109,11 @@ libint2-dev, liblapack-dev, libmadness-dev, + libopenmm-dev, libpsi3-dev, libsc-dev, libscalapack-mpi-dev, + libsymspg-dev, libtiledarray-dev, libxc-dev, mpi-default-dev @@ -117,15 +127,17 @@ Depends: ${misc:Depends}, debichem-tasks (= ${source:Version}) Recommends: ase, + avogadro, ballview, + c2x, cclib, gabedit, gausssum, jmol, + python3-pycifrw, travis, viewmol, xcrysden -Suggests: avogadro Description: DebiChem input preparation and output processing This metapackage will install graphical frontends and input generators/output processors for computational chemistry packages which might be useful for @@ -172,11 +184,13 @@ Architecture: all Depends: ${misc:Depends}, debichem-tasks (= ${source:Version}) -Recommends: ballview, +Recommends: avogadro, + ballview, ghemical, + mmb, + openstructure, pymol -Suggests: avogadro, - nmoldyn +Suggests: nmoldyn Description: DebiChem 3D Molecular Modelling and Visualization This metapackage will install 3D Molecular Modelling and Visualization which might be useful for chemists. @@ -191,7 +205,8 @@ gpaw, nwchem, openmx, - quantum-espresso + quantum-espresso, + wannier90 Description: DebiChem Periodic Ab Initio Calculations This metapackage will install packages doing periodic ab initio calculations which might be useful for chemists. @@ -229,6 +244,7 @@ Depends: ${misc:Depends}, debichem-tasks (= ${source:Version}) Recommends: adun.app, + avogadro, ballview, cclib, drawxtl, @@ -249,7 +265,6 @@ xbs, xcrysden, xmakemol -Suggests: avogadro Description: DebiChem 3D Viewers This metapackage will install 3D Viewers which might be useful for chemists. diff -Nru debichem-0.0.10/debian/copyright debichem-0.0.11/debian/copyright --- debichem-0.0.10/debian/copyright 2019-12-22 12:50:45.000000000 +0000 +++ debichem-0.0.11/debian/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -1,25 +1,20 @@ -This package was written by Andreas Tille -Mon, 19 Jul 2010 22:44:13 +0200 - -Upstream Author: Debichem Team - -Copyright: © 2008-2010 Michael Banck , - Andreas Tille - -License: +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 This package 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; version 2 dated June, 1991. - + . 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 General Public License for more details. - - You should have received a copy of the GNU General Public License - along with this package; if not, write to the Free Software - Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA - 02110-1301, USA. - -On Debian GNU/Linux systems, the complete text of the GNU General -Public License can be found in `/usr/share/common-licenses/GPL-2'. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/.debhelper/generated/debichem-tasks/installed-by-dh_install debichem-0.0.11/debian/.debhelper/generated/debichem-tasks/installed-by-dh_install --- debichem-0.0.10/debian/.debhelper/generated/debichem-tasks/installed-by-dh_install 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/.debhelper/generated/debichem-tasks/installed-by-dh_install 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +./debichem-tasks.desc diff -Nru debichem-0.0.10/debian/debhelper-build-stamp debichem-0.0.11/debian/debhelper-build-stamp --- debichem-0.0.10/debian/debhelper-build-stamp 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debhelper-build-stamp 2021-02-07 22:38:00.000000000 +0000 @@ -0,0 +1,13 @@ +debichem-tasks +debichem-analytical-biochemistry +debichem-cheminformatics +debichem-crystallography +debichem-development +debichem-input-generation-output-processing +debichem-molecular-abinitio +debichem-molecular-dynamics +debichem-molecular-modelling +debichem-periodic-abinitio +debichem-semiempirical +debichem-view-edit-2d +debichem-visualisation diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/control debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/control --- debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,20 @@ +Package: debichem-analytical-biochemistry +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 23 +Depends: debichem-tasks (= 0.0.11) +Recommends: libmstoolkit-tools, libpwiz-tools, lutefisk, openms, python3-pymzml, r-cran-maldiquant, r-cran-maldiquantforeign, r-cran-mixtools, r-cran-readbrukerflexdata, r-cran-readmzxmldata, r-other-amsmercury, r-other-curvefdp, r-other-iwrlars, r-other-nitpick, tandem-mass +Suggests: biceps, libpwiz-dev, massxpert, mmass +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem Analytical BioChemistry + This metapackage will install packages which enable you to: + . + - load and convert mass spectrometric data files; + - edit biopolymer sequences; + - elaborate complex mass spectrometry workflows; + - perform protein database searches using tandem-ms data; + - view and mine mass spectrometric data; diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/md5sums debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,5 @@ +491d7773df7c113930a92ac47ecc3fc3 usr/share/blends/tasks/debichem/analytical-biochemistry +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-analytical-biochemistry/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-analytical-biochemistry/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-analytical-biochemistry/copyright +130a22929b91f73dec112782e6fe48b4 usr/share/lintian/overrides/debichem-analytical-biochemistry diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/postinst debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/prerm debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-analytical-biochemistry/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/blends/tasks/debichem/analytical-biochemistry debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/blends/tasks/debichem/analytical-biochemistry --- debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/blends/tasks/debichem/analytical-biochemistry 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/blends/tasks/debichem/analytical-biochemistry 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Analytical Biochemistry Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/copyright debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/copyright --- debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/README.Debian debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/README.Debian --- debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/doc/debichem-analytical-biochemistry/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/lintian/overrides/debichem-analytical-biochemistry debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/lintian/overrides/debichem-analytical-biochemistry --- debichem-0.0.10/debian/debichem-analytical-biochemistry/usr/share/lintian/overrides/debichem-analytical-biochemistry 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry/usr/share/lintian/overrides/debichem-analytical-biochemistry 2020-12-29 18:02:51.000000000 +0000 @@ -0,0 +1,2 @@ +# false positive +debichem-analytical-biochemistry: using-first-person-in-description line 6: mine diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry.debhelper.log debichem-0.0.11/debian/debichem-analytical-biochemistry.debhelper.log --- debichem-0.0.10/debian/debichem-analytical-biochemistry.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry.postinst debichem-0.0.11/debian/debichem-analytical-biochemistry.postinst --- debichem-0.0.10/debian/debichem-analytical-biochemistry.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry.prerm debichem-0.0.11/debian/debichem-analytical-biochemistry.prerm --- debichem-0.0.10/debian/debichem-analytical-biochemistry.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-analytical-biochemistry.substvars debichem-0.0.11/debian/debichem-analytical-biochemistry.substvars --- debichem-0.0.10/debian/debichem-analytical-biochemistry.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-analytical-biochemistry.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/control debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/control --- debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,15 @@ +Package: debichem-cheminformatics +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: libcdk-java, libopsin-java, openbabel, python3-openbabel, python3-rdkit +Suggests: python3-cinfony, python3-indigo +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem Cheminformatics + This metapackage will install cheminformatics packages + useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/md5sums debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +9030a450d675710a78d89a65251da80a usr/share/blends/tasks/debichem/cheminformatics +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-cheminformatics/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-cheminformatics/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-cheminformatics/copyright diff -Nru debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/postinst debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/prerm debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-cheminformatics/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-cheminformatics/usr/share/blends/tasks/debichem/cheminformatics debichem-0.0.11/debian/debichem-cheminformatics/usr/share/blends/tasks/debichem/cheminformatics --- debichem-0.0.10/debian/debichem-cheminformatics/usr/share/blends/tasks/debichem/cheminformatics 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics/usr/share/blends/tasks/debichem/cheminformatics 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Cheminformatics Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/copyright debichem-0.0.11/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/copyright --- debichem-0.0.10/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/README.Debian debichem-0.0.11/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/README.Debian --- debichem-0.0.10/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics/usr/share/doc/debichem-cheminformatics/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-cheminformatics.debhelper.log debichem-0.0.11/debian/debichem-cheminformatics.debhelper.log --- debichem-0.0.10/debian/debichem-cheminformatics.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-cheminformatics.postinst debichem-0.0.11/debian/debichem-cheminformatics.postinst --- debichem-0.0.10/debian/debichem-cheminformatics.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-cheminformatics.prerm debichem-0.0.11/debian/debichem-cheminformatics.prerm --- debichem-0.0.10/debian/debichem-cheminformatics.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-cheminformatics.substvars debichem-0.0.11/debian/debichem-cheminformatics.substvars --- debichem-0.0.10/debian/debichem-cheminformatics.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-cheminformatics.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-crystallography/DEBIAN/control debichem-0.0.11/debian/debichem-crystallography/DEBIAN/control --- debichem-0.0.10/debian/debichem-crystallography/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography/DEBIAN/control 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,14 @@ +Package: debichem-crystallography +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: drawxtl, gamgi, gcrystal, python3-fabio, shelxle, xcrysden +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem crystallography + This metapackage will install packages for crystallography which might be + useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-crystallography/DEBIAN/md5sums debichem-0.0.11/debian/debichem-crystallography/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-crystallography/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +cb0140eda72e40aad43f6c064aa3f98c usr/share/blends/tasks/debichem/crystallography +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-crystallography/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-crystallography/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-crystallography/copyright diff -Nru debichem-0.0.10/debian/debichem-crystallography/DEBIAN/postinst debichem-0.0.11/debian/debichem-crystallography/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-crystallography/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-crystallography/DEBIAN/prerm debichem-0.0.11/debian/debichem-crystallography/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-crystallography/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-crystallography/usr/share/blends/tasks/debichem/crystallography debichem-0.0.11/debian/debichem-crystallography/usr/share/blends/tasks/debichem/crystallography --- debichem-0.0.10/debian/debichem-crystallography/usr/share/blends/tasks/debichem/crystallography 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography/usr/share/blends/tasks/debichem/crystallography 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Crystallography Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/copyright debichem-0.0.11/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/copyright --- debichem-0.0.10/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/README.Debian debichem-0.0.11/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/README.Debian --- debichem-0.0.10/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography/usr/share/doc/debichem-crystallography/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-crystallography.debhelper.log debichem-0.0.11/debian/debichem-crystallography.debhelper.log --- debichem-0.0.10/debian/debichem-crystallography.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-crystallography.postinst debichem-0.0.11/debian/debichem-crystallography.postinst --- debichem-0.0.10/debian/debichem-crystallography.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-crystallography.prerm debichem-0.0.11/debian/debichem-crystallography.prerm --- debichem-0.0.10/debian/debichem-crystallography.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-crystallography.substvars debichem-0.0.11/debian/debichem-crystallography.substvars --- debichem-0.0.10/debian/debichem-crystallography.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-crystallography.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-development/DEBIAN/control debichem-0.0.11/debian/debichem-development/DEBIAN/control --- debichem-0.0.10/debian/debichem-development/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,14 @@ +Package: debichem-development +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: libblas-dev, libelpa-dev, libfftw3-dev, libga-dev, libint-dev, libint2-dev, liblapack-dev, libmadness-dev, libpsi3-dev, libsc-dev, libscalapack-mpi-dev, libtiledarray-dev, libxc-dev, mpi-default-dev +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem C/C++/Fortran Development + This metapackage will install development packages + useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-development/DEBIAN/md5sums debichem-0.0.11/debian/debichem-development/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-development/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +5905ce3c3ad169533490fe0760cc96a5 usr/share/blends/tasks/debichem/development +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-development/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-development/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-development/copyright diff -Nru debichem-0.0.10/debian/debichem-development/DEBIAN/postinst debichem-0.0.11/debian/debichem-development/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-development/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-development/DEBIAN/prerm debichem-0.0.11/debian/debichem-development/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-development/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-development/usr/share/blends/tasks/debichem/development debichem-0.0.11/debian/debichem-development/usr/share/blends/tasks/debichem/development --- debichem-0.0.10/debian/debichem-development/usr/share/blends/tasks/debichem/development 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development/usr/share/blends/tasks/debichem/development 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +C/C++/Fortran Development Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-development/usr/share/doc/debichem-development/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-development/usr/share/doc/debichem-development/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-development/usr/share/doc/debichem-development/copyright debichem-0.0.11/debian/debichem-development/usr/share/doc/debichem-development/copyright --- debichem-0.0.10/debian/debichem-development/usr/share/doc/debichem-development/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development/usr/share/doc/debichem-development/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-development/usr/share/doc/debichem-development/README.Debian debichem-0.0.11/debian/debichem-development/usr/share/doc/debichem-development/README.Debian --- debichem-0.0.10/debian/debichem-development/usr/share/doc/debichem-development/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development/usr/share/doc/debichem-development/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-development.debhelper.log debichem-0.0.11/debian/debichem-development.debhelper.log --- debichem-0.0.10/debian/debichem-development.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-development.postinst debichem-0.0.11/debian/debichem-development.postinst --- debichem-0.0.10/debian/debichem-development.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-development.prerm debichem-0.0.11/debian/debichem-development.prerm --- debichem-0.0.10/debian/debichem-development.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-development.substvars debichem-0.0.11/debian/debichem-development.substvars --- debichem-0.0.10/debian/debichem-development.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-development.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/control debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/control --- debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,16 @@ +Package: debichem-input-generation-output-processing +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: ase, ballview, cclib, gabedit, gausssum, jmol, travis, viewmol, xcrysden +Suggests: avogadro +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem input preparation and output processing + This metapackage will install graphical frontends and input generators/output + processors for computational chemistry packages which might be useful for + chemists. diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/md5sums debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +aec21b007be6ea4c1e14f5f274faaf82 usr/share/blends/tasks/debichem/input-generation-output-processing +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-input-generation-output-processing/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-input-generation-output-processing/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-input-generation-output-processing/copyright diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/postinst debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/prerm debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-input-generation-output-processing/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing/usr/share/blends/tasks/debichem/input-generation-output-processing debichem-0.0.11/debian/debichem-input-generation-output-processing/usr/share/blends/tasks/debichem/input-generation-output-processing --- debichem-0.0.10/debian/debichem-input-generation-output-processing/usr/share/blends/tasks/debichem/input-generation-output-processing 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing/usr/share/blends/tasks/debichem/input-generation-output-processing 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Input Preparation and Output Processing Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/copyright debichem-0.0.11/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/copyright --- debichem-0.0.10/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/README.Debian debichem-0.0.11/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/README.Debian --- debichem-0.0.10/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing/usr/share/doc/debichem-input-generation-output-processing/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing.debhelper.log debichem-0.0.11/debian/debichem-input-generation-output-processing.debhelper.log --- debichem-0.0.10/debian/debichem-input-generation-output-processing.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing.postinst debichem-0.0.11/debian/debichem-input-generation-output-processing.postinst --- debichem-0.0.10/debian/debichem-input-generation-output-processing.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing.prerm debichem-0.0.11/debian/debichem-input-generation-output-processing.prerm --- debichem-0.0.10/debian/debichem-input-generation-output-processing.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-input-generation-output-processing.substvars debichem-0.0.11/debian/debichem-input-generation-output-processing.substvars --- debichem-0.0.10/debian/debichem-input-generation-output-processing.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-input-generation-output-processing.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/control debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/control --- debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,14 @@ +Package: debichem-molecular-abinitio +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: aces3, bagel, chemps2, cp2k, elk-lapw, ergo, mpqc, mpqc3, nwchem, psi3, psi4 +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem Molecular Ab Initio Calculations + This metapackage will install packages doing molecular ab initio calculations + which might be useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/md5sums debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +8d783a80f804e863e8aad92eea769368 usr/share/blends/tasks/debichem/molecular-abinitio +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-molecular-abinitio/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-molecular-abinitio/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-molecular-abinitio/copyright diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/postinst debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/prerm debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-molecular-abinitio/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio/usr/share/blends/tasks/debichem/molecular-abinitio debichem-0.0.11/debian/debichem-molecular-abinitio/usr/share/blends/tasks/debichem/molecular-abinitio --- debichem-0.0.10/debian/debichem-molecular-abinitio/usr/share/blends/tasks/debichem/molecular-abinitio 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio/usr/share/blends/tasks/debichem/molecular-abinitio 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Molecular Ab Initio Calculations Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/copyright debichem-0.0.11/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/copyright --- debichem-0.0.10/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/README.Debian debichem-0.0.11/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/README.Debian --- debichem-0.0.10/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio/usr/share/doc/debichem-molecular-abinitio/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio.debhelper.log debichem-0.0.11/debian/debichem-molecular-abinitio.debhelper.log --- debichem-0.0.10/debian/debichem-molecular-abinitio.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio.postinst debichem-0.0.11/debian/debichem-molecular-abinitio.postinst --- debichem-0.0.10/debian/debichem-molecular-abinitio.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio.prerm debichem-0.0.11/debian/debichem-molecular-abinitio.prerm --- debichem-0.0.10/debian/debichem-molecular-abinitio.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-abinitio.substvars debichem-0.0.11/debian/debichem-molecular-abinitio.substvars --- debichem-0.0.10/debian/debichem-molecular-abinitio.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-abinitio.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/control debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/control --- debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/control 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,15 @@ +Package: debichem-molecular-dynamics +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: adun.app, cp2k, gromacs, lammps, nwchem, votca-csg +Suggests: dl-poly-classic +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem Molecular Dynamics + This metapackage will install Molecular Dynamics packages + which might be useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/md5sums debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +8fd5b3fc88f0b3620e07cded847f13e5 usr/share/blends/tasks/debichem/molecular-dynamics +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-molecular-dynamics/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-molecular-dynamics/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-molecular-dynamics/copyright diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/postinst debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/prerm debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-molecular-dynamics/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics/usr/share/blends/tasks/debichem/molecular-dynamics debichem-0.0.11/debian/debichem-molecular-dynamics/usr/share/blends/tasks/debichem/molecular-dynamics --- debichem-0.0.10/debian/debichem-molecular-dynamics/usr/share/blends/tasks/debichem/molecular-dynamics 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics/usr/share/blends/tasks/debichem/molecular-dynamics 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Molecular Dynamics Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/copyright debichem-0.0.11/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/copyright --- debichem-0.0.10/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/README.Debian debichem-0.0.11/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/README.Debian --- debichem-0.0.10/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics/usr/share/doc/debichem-molecular-dynamics/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics.debhelper.log debichem-0.0.11/debian/debichem-molecular-dynamics.debhelper.log --- debichem-0.0.10/debian/debichem-molecular-dynamics.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics.postinst debichem-0.0.11/debian/debichem-molecular-dynamics.postinst --- debichem-0.0.10/debian/debichem-molecular-dynamics.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics.prerm debichem-0.0.11/debian/debichem-molecular-dynamics.prerm --- debichem-0.0.10/debian/debichem-molecular-dynamics.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-dynamics.substvars debichem-0.0.11/debian/debichem-molecular-dynamics.substvars --- debichem-0.0.10/debian/debichem-molecular-dynamics.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-dynamics.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/control debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/control --- debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,15 @@ +Package: debichem-molecular-modelling +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: ballview, ghemical, pymol +Suggests: avogadro, nmoldyn +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem 3D Molecular Modelling and Visualization + This metapackage will install 3D Molecular Modelling and Visualization + which might be useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/md5sums debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +dc028024102252d5e873f75c3fbf21b3 usr/share/blends/tasks/debichem/molecular-modelling +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-molecular-modelling/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-molecular-modelling/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-molecular-modelling/copyright diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/postinst debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/prerm debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-molecular-modelling/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling/usr/share/blends/tasks/debichem/molecular-modelling debichem-0.0.11/debian/debichem-molecular-modelling/usr/share/blends/tasks/debichem/molecular-modelling --- debichem-0.0.10/debian/debichem-molecular-modelling/usr/share/blends/tasks/debichem/molecular-modelling 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling/usr/share/blends/tasks/debichem/molecular-modelling 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Molecular Modelling Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/copyright debichem-0.0.11/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/copyright --- debichem-0.0.10/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/README.Debian debichem-0.0.11/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/README.Debian --- debichem-0.0.10/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling/usr/share/doc/debichem-molecular-modelling/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling.debhelper.log debichem-0.0.11/debian/debichem-molecular-modelling.debhelper.log --- debichem-0.0.10/debian/debichem-molecular-modelling.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling.postinst debichem-0.0.11/debian/debichem-molecular-modelling.postinst --- debichem-0.0.10/debian/debichem-molecular-modelling.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling.prerm debichem-0.0.11/debian/debichem-molecular-modelling.prerm --- debichem-0.0.10/debian/debichem-molecular-modelling.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-molecular-modelling.substvars debichem-0.0.11/debian/debichem-molecular-modelling.substvars --- debichem-0.0.10/debian/debichem-molecular-modelling.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-molecular-modelling.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/control debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/control --- debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,14 @@ +Package: debichem-periodic-abinitio +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: abinit, cp2k, gpaw, nwchem, openmx, quantum-espresso +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem Periodic Ab Initio Calculations + This metapackage will install packages doing periodic ab initio calculations + which might be useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/md5sums debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +bc8a41c740d93114d9580814a7cb42b3 usr/share/blends/tasks/debichem/periodic-abinitio +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-periodic-abinitio/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-periodic-abinitio/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-periodic-abinitio/copyright diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/postinst debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/prerm debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-periodic-abinitio/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio/DEBIAN/prerm 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio/usr/share/blends/tasks/debichem/periodic-abinitio debichem-0.0.11/debian/debichem-periodic-abinitio/usr/share/blends/tasks/debichem/periodic-abinitio --- debichem-0.0.10/debian/debichem-periodic-abinitio/usr/share/blends/tasks/debichem/periodic-abinitio 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio/usr/share/blends/tasks/debichem/periodic-abinitio 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Periodic Ab Initio Calculations Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/copyright debichem-0.0.11/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/copyright --- debichem-0.0.10/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/README.Debian debichem-0.0.11/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/README.Debian --- debichem-0.0.10/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio/usr/share/doc/debichem-periodic-abinitio/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio.debhelper.log debichem-0.0.11/debian/debichem-periodic-abinitio.debhelper.log --- debichem-0.0.10/debian/debichem-periodic-abinitio.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio.postinst debichem-0.0.11/debian/debichem-periodic-abinitio.postinst --- debichem-0.0.10/debian/debichem-periodic-abinitio.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio.prerm debichem-0.0.11/debian/debichem-periodic-abinitio.prerm --- debichem-0.0.10/debian/debichem-periodic-abinitio.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-periodic-abinitio.substvars debichem-0.0.11/debian/debichem-periodic-abinitio.substvars --- debichem-0.0.10/debian/debichem-periodic-abinitio.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-periodic-abinitio.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/control debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/control --- debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,14 @@ +Package: debichem-semiempirical +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: cp2k, molds, mopac7-bin +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem Semi Empirical + This metapackage will install Semi Empirical + which might be useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/md5sums debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +f2c336d8f10b8b76283ffb9414e192cc usr/share/blends/tasks/debichem/semiempirical +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-semiempirical/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-semiempirical/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-semiempirical/copyright diff -Nru debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/postinst debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/postinst 2021-02-07 22:38:02.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/prerm debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-semiempirical/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical/DEBIAN/prerm 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-semiempirical/usr/share/blends/tasks/debichem/semiempirical debichem-0.0.11/debian/debichem-semiempirical/usr/share/blends/tasks/debichem/semiempirical --- debichem-0.0.10/debian/debichem-semiempirical/usr/share/blends/tasks/debichem/semiempirical 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical/usr/share/blends/tasks/debichem/semiempirical 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Semi Empirical Calculations Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/copyright debichem-0.0.11/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/copyright --- debichem-0.0.10/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/README.Debian debichem-0.0.11/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/README.Debian --- debichem-0.0.10/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical/usr/share/doc/debichem-semiempirical/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-semiempirical.debhelper.log debichem-0.0.11/debian/debichem-semiempirical.debhelper.log --- debichem-0.0.10/debian/debichem-semiempirical.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-semiempirical.postinst debichem-0.0.11/debian/debichem-semiempirical.postinst --- debichem-0.0.10/debian/debichem-semiempirical.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-semiempirical.prerm debichem-0.0.11/debian/debichem-semiempirical.prerm --- debichem-0.0.10/debian/debichem-semiempirical.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-semiempirical.substvars debichem-0.0.11/debian/debichem-semiempirical.substvars --- debichem-0.0.10/debian/debichem-semiempirical.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-semiempirical.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-tasks/DEBIAN/control debichem-0.0.11/debian/debichem-tasks/DEBIAN/control --- debichem-0.0.10/debian/debichem-tasks/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-tasks/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,15 @@ +Package: debichem-tasks +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 15 +Depends: tasksel +Section: misc +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem tasks for tasksel + This package provides DebiChem tasks in tasksel. + . + These tasks are described in detail at + http://blends.alioth.debian.org/debichem/tasks/ diff -Nru debichem-0.0.10/debian/debichem-tasks/DEBIAN/md5sums debichem-0.0.11/debian/debichem-tasks/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-tasks/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-tasks/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,3 @@ +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-tasks/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-tasks/copyright +8a3568e8ccced2f2a54559989620635a usr/share/tasksel/descs/debichem-tasks.desc Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-tasks/usr/share/doc/debichem-tasks/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-tasks/usr/share/doc/debichem-tasks/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-tasks/usr/share/doc/debichem-tasks/copyright debichem-0.0.11/debian/debichem-tasks/usr/share/doc/debichem-tasks/copyright --- debichem-0.0.10/debian/debichem-tasks/usr/share/doc/debichem-tasks/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-tasks/usr/share/doc/debichem-tasks/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-tasks/usr/share/tasksel/descs/debichem-tasks.desc debichem-0.0.11/debian/debichem-tasks/usr/share/tasksel/descs/debichem-tasks.desc --- debichem-0.0.10/debian/debichem-tasks/usr/share/tasksel/descs/debichem-tasks.desc 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-tasks/usr/share/tasksel/descs/debichem-tasks.desc 2020-12-29 18:02:51.000000000 +0000 @@ -0,0 +1,119 @@ +Task: debichem +Relevance: 7 +Section: debichem +Description: Debian Debichem Pure Blend + . + +Task: debichem-analytical-biochemistry +Parent: debichem +Section: debichem +Description: DebiChem Analytical BioChemistry + This metapackage will install packages which enable you to: + . + - load and convert mass spectrometric data files; + - edit biopolymer sequences; + - elaborate complex mass spectrometry workflows; + - perform protein database searches using tandem-ms data; + - view and mine mass spectrometric data; +Key: + debichem-analytical-biochemistry + +Task: debichem-cheminformatics +Parent: debichem +Section: debichem +Description: DebiChem Cheminformatics + This metapackage will install cheminformatics packages + useful for chemists. +Key: + debichem-cheminformatics + +Task: debichem-crystallography +Parent: debichem +Section: debichem +Description: DebiChem crystallography + This metapackage will install packages for crystallography which might be + useful for chemists. +Key: + debichem-crystallography + +Task: debichem-development +Parent: debichem +Section: debichem +Description: DebiChem C/C++/Fortran Development + This metapackage will install development packages + useful for chemists. +Key: + debichem-development + +Task: debichem-input-generation-output-processing +Parent: debichem +Section: debichem +Description: DebiChem input preparation and output processing + This metapackage will install graphical frontends and input generators/output + processors for computational chemistry packages which might be useful for + chemists. +Key: + debichem-input-generation-output-processing + +Task: debichem-molecular-abinitio +Parent: debichem +Section: debichem +Description: DebiChem Molecular Ab Initio Calculations + This metapackage will install packages doing molecular ab initio calculations + which might be useful for chemists. +Key: + debichem-molecular-abinitio + +Task: debichem-molecular-dynamics +Parent: debichem +Section: debichem +Description: DebiChem Molecular Dynamics + This metapackage will install Molecular Dynamics packages + which might be useful for chemists. +Key: + debichem-molecular-dynamics + +Task: debichem-molecular-modelling +Parent: debichem +Section: debichem +Description: DebiChem 3D Molecular Modelling and Visualization + This metapackage will install 3D Molecular Modelling and Visualization + which might be useful for chemists. +Key: + debichem-molecular-modelling + +Task: debichem-periodic-abinitio +Parent: debichem +Section: debichem +Description: DebiChem Periodic Ab Initio Calculations + This metapackage will install packages doing periodic ab initio calculations + which might be useful for chemists. +Key: + debichem-periodic-abinitio + +Task: debichem-semiempirical +Parent: debichem +Section: debichem +Description: DebiChem Semi Empirical + This metapackage will install Semi Empirical + which might be useful for chemists. +Key: + debichem-semiempirical + +Task: debichem-view-edit-2d +Parent: debichem +Section: debichem +Description: DebiChem chemical formular/structure editors + This metapackage will install drawers for chemical structures which might be + useful for chemists. +Key: + debichem-view-edit-2d + +Task: debichem-visualisation +Parent: debichem +Section: debichem +Description: DebiChem 3D Viewers + This metapackage will install 3D Viewers which might be useful for chemists. +Key: + debichem-visualisation + diff -Nru debichem-0.0.10/debian/debichem-tasks.debhelper.log debichem-0.0.11/debian/debichem-tasks.debhelper.log --- debichem-0.0.10/debian/debichem-tasks.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-tasks.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-tasks.substvars debichem-0.0.11/debian/debichem-tasks.substvars --- debichem-0.0.10/debian/debichem-tasks.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-tasks.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/control debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/control --- debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/control 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,15 @@ +Package: debichem-view-edit-2d +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: bkchem, chemtool, easychem, gchempaint, xdrawchem +Suggests: osra +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem chemical formular/structure editors + This metapackage will install drawers for chemical structures which might be + useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/md5sums debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +6bbf0d92c5f48e396f05fd50866c7b27 usr/share/blends/tasks/debichem/view-edit-2d +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-view-edit-2d/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-view-edit-2d/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-view-edit-2d/copyright diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/postinst debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/postinst 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/prerm debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-view-edit-2d/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d/DEBIAN/prerm 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d/usr/share/blends/tasks/debichem/view-edit-2d debichem-0.0.11/debian/debichem-view-edit-2d/usr/share/blends/tasks/debichem/view-edit-2d --- debichem-0.0.10/debian/debichem-view-edit-2d/usr/share/blends/tasks/debichem/view-edit-2d 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d/usr/share/blends/tasks/debichem/view-edit-2d 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +Chemical Formula/Structure Editors Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/copyright debichem-0.0.11/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/copyright --- debichem-0.0.10/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/README.Debian debichem-0.0.11/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/README.Debian --- debichem-0.0.10/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d/usr/share/doc/debichem-view-edit-2d/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d.debhelper.log debichem-0.0.11/debian/debichem-view-edit-2d.debhelper.log --- debichem-0.0.10/debian/debichem-view-edit-2d.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d.postinst debichem-0.0.11/debian/debichem-view-edit-2d.postinst --- debichem-0.0.10/debian/debichem-view-edit-2d.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d.prerm debichem-0.0.11/debian/debichem-view-edit-2d.prerm --- debichem-0.0.10/debian/debichem-view-edit-2d.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-view-edit-2d.substvars debichem-0.0.11/debian/debichem-view-edit-2d.substvars --- debichem-0.0.10/debian/debichem-view-edit-2d.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-view-edit-2d.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debian/debichem-visualisation/DEBIAN/control debichem-0.0.11/debian/debichem-visualisation/DEBIAN/control --- debichem-0.0.10/debian/debichem-visualisation/DEBIAN/control 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation/DEBIAN/control 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,14 @@ +Package: debichem-visualisation +Source: debichem +Version: 0.0.11 +Architecture: all +Maintainer: Debichem Team +Installed-Size: 20 +Depends: debichem-tasks (= 0.0.11) +Recommends: adun.app, ballview, cclib, drawxtl, gabedit, gamgi, garlic, gausssum, gdis, gdpc, jmol, kalzium, qutemol, rasmol, raster3d, shelxle, v-sim, viewmol, xbs, xcrysden, xmakemol +Suggests: avogadro +Section: metapackages +Priority: optional +Homepage: https://salsa.debian.org/blends-team/debichem +Description: DebiChem 3D Viewers + This metapackage will install 3D Viewers which might be useful for chemists. diff -Nru debichem-0.0.10/debian/debichem-visualisation/DEBIAN/md5sums debichem-0.0.11/debian/debichem-visualisation/DEBIAN/md5sums --- debichem-0.0.10/debian/debichem-visualisation/DEBIAN/md5sums 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation/DEBIAN/md5sums 2021-02-07 22:38:04.000000000 +0000 @@ -0,0 +1,4 @@ +d8dc92e9589aedea5f053c422cf05caa usr/share/blends/tasks/debichem/visualisation +261f9e4d1f12c3f513eaa507de08efea usr/share/doc/debichem-visualisation/README.Debian +04decb965a503ae7e222af0e5e73454c usr/share/doc/debichem-visualisation/changelog.gz +09d4dca130c4fe3ec23aa53e43a5c784 usr/share/doc/debichem-visualisation/copyright diff -Nru debichem-0.0.10/debian/debichem-visualisation/DEBIAN/postinst debichem-0.0.11/debian/debichem-visualisation/DEBIAN/postinst --- debichem-0.0.10/debian/debichem-visualisation/DEBIAN/postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation/DEBIAN/postinst 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-visualisation/DEBIAN/prerm debichem-0.0.11/debian/debichem-visualisation/DEBIAN/prerm --- debichem-0.0.10/debian/debichem-visualisation/DEBIAN/prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation/DEBIAN/prerm 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + + + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-visualisation/usr/share/blends/tasks/debichem/visualisation debichem-0.0.11/debian/debichem-visualisation/usr/share/blends/tasks/debichem/visualisation --- debichem-0.0.10/debian/debichem-visualisation/usr/share/blends/tasks/debichem/visualisation 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation/usr/share/blends/tasks/debichem/visualisation 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +3D Visualization Binary files /tmp/tmpXpC5r4/3YqozeWfYf/debichem-0.0.10/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/changelog.gz and /tmp/tmpXpC5r4/2PtderSLVG/debichem-0.0.11/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/changelog.gz differ diff -Nru debichem-0.0.10/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/copyright debichem-0.0.11/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/copyright --- debichem-0.0.10/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/copyright 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/copyright 2021-02-05 22:36:30.000000000 +0000 @@ -0,0 +1,20 @@ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Upstream-Name: debichem +Upstream-Contact: Debichem Team +Source: https://salsa.debian.org/blends-team/med + +Files: * +Copyright: 2008-2021 Michael Banck , + 2008-2021 Andreas Tille +License: GPL-2 + This package 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; version 2 dated June, 1991. + . + 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 General Public License for more details. + . + On Debian GNU/Linux systems, the complete text of the GNU General + Public License can be found in `/usr/share/common-licenses/GPL-2'. diff -Nru debichem-0.0.10/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/README.Debian debichem-0.0.11/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/README.Debian --- debichem-0.0.10/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/README.Debian 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation/usr/share/doc/debichem-visualisation/README.Debian 2016-03-31 18:31:15.000000000 +0000 @@ -0,0 +1,22 @@ +This is a metapackage which is used by Debian Pure Blends +--------------------------------------------------------- + +This package is a metapackage; it depends on several other packages to make +them be installed when it is installed. If you want to remove one of those +packages, you have to remove this package as well. The other packages won't be +touched. + +There exists an comprehensive documentation about Debian Pure Blends +which can be found at http://blends.alioth.debian.org/blends/. + +The metapackages should always be installable on a Debian system. +Thus no dependency on a non-available package (ie. a package available +outside of Debian) have been used. However such dependencies have +been downgraded to Suggests. + +Sometimes some non-free packages are suggested when no good free +alternatives are known. You're encouraged to find good free +replacements. + +Perhaps type-handling might gives us a way to specify arch-dependant +dependencies. diff -Nru debichem-0.0.10/debian/debichem-visualisation.debhelper.log debichem-0.0.11/debian/debichem-visualisation.debhelper.log --- debichem-0.0.10/debian/debichem-visualisation.debhelper.log 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation.debhelper.log 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1 @@ +override_dh_installdocs dh_installdocs diff -Nru debichem-0.0.10/debian/debichem-visualisation.postinst debichem-0.0.11/debian/debichem-visualisation.postinst --- debichem-0.0.10/debian/debichem-visualisation.postinst 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation.postinst 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,69 @@ +#!/bin/sh +set -e + +# This is the default postinst file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# postinst files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +# summary of how this script can be called: +# * `configure' +# * `abort-upgrade' +# * `abort-remove' `in-favour' +# +# * `abort-remove' +# * `abort-deconfigure' `in-favour' +# `removing' +# +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -f /etc/blends/debichem/debichem.conf ] ; then + test -x /usr/sbin/blend-update-menus && blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + . /etc/blends/blends.conf + if [ -s /etc/blends/debichem/debichem.conf ] ; then . /etc/blends/debichem/debichem.conf ; fi + + case "$1" in + abort-deconfigure|abort-remove|abort-upgrade) + ;; + configure|upgrade) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + + db_stop + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-visualisation.prerm debichem-0.0.11/debian/debichem-visualisation.prerm --- debichem-0.0.10/debian/debichem-visualisation.prerm 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation.prerm 2021-02-07 22:38:01.000000000 +0000 @@ -0,0 +1,74 @@ +#!/bin/sh +set -e + +# This is the default prerm file from the blends-dev package which is used +# in all meta packages. If there is a certain need to provide extra +# prerm files for some meta packages this template will be appended. Thus +# it will be checked whether debconf was just initialized. +# +# You should not insert the _DEBHELPER_ template in the special postscript +# file because it is in the end of this template anyway. + +########################################################################### +# If the user menus are not needed/wished for a Blend (like for instance +# Debian Edu there is no need to install blends-common package. Thus we +# have to make sure that postinst does not try to include the menu stuff + +# The most portable way to test a program for existence +# This fixes https://lintian.debian.org/tags/command-with-path-in-maintainer-script.html + +pathfind() { + OLDIFS="$IFS" + IFS=: + for p in $PATH; do + if [ -x "$p/$*" ]; then + IFS="$OLDIFS" + return 0 + fi + done + IFS="$OLDIFS" + return 1 +} + + +if [ -d /etc/blends -a -f /etc/blends/blends.conf ] ; then + # Also verify that this Blend provides special configuration + # If not there is no need to execute the user menu code + if [ -d /etc/blends/debichem -a -s /etc/blends/debichem/debichem.conf -a -s /etc/blends/blends.conf ] ; then + if pathfind blend-update-usermenus ; then + . /etc/blends/blends.conf + . /etc/blends/debichem/debichem.conf + blend-update-menus --blend debichem + + # Initialize debconf if not yet done + if [ _"$DEBCONF_REDIR" = _"" ]; then + . /usr/share/debconf/confmodule + db_version 2.0 + fi + + case "$1" in + deconfigure|failed-upgrade|upgrade) + ;; + remove|purge) + db_get "shared/debichem-config/usermenus" || true + case "$RET" in + "Each package installation") + blend-update-usermenus debichem + ;; + "End of installation") + touch /var/run/debichem-config.usermenu + ;; + esac + ;; + *) + echo "prerm called with unknown argument \`$1'" >&2 + exit 1 + ;; + esac + fi + fi +fi + +#DEBHELPER# + +exit 0 diff -Nru debichem-0.0.10/debian/debichem-visualisation.substvars debichem-0.0.11/debian/debichem-visualisation.substvars --- debichem-0.0.10/debian/debichem-visualisation.substvars 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/debian/debichem-visualisation.substvars 2021-02-07 22:38:03.000000000 +0000 @@ -0,0 +1,2 @@ +misc:Depends= +misc:Pre-Depends= diff -Nru debichem-0.0.10/debichem-tasks.desc debichem-0.0.11/debichem-tasks.desc --- debichem-0.0.10/debichem-tasks.desc 2020-01-12 12:59:53.000000000 +0000 +++ debichem-0.0.11/debichem-tasks.desc 2021-02-07 22:38:41.000000000 +0000 @@ -14,7 +14,9 @@ - edit biopolymer sequences; - elaborate complex mass spectrometry workflows; - perform protein database searches using tandem-ms data; - - view and mine mass spectrometric data; + - visualize and explore mass spectrometric data; + - simulate isotopic clusters; + - implement proteomics workflows. Key: debichem-analytical-biochemistry diff -Nru debichem-0.0.10/dependency_data/debichem_0.0.11.json debichem-0.0.11/dependency_data/debichem_0.0.11.json --- debichem-0.0.10/dependency_data/debichem_0.0.11.json 1970-01-01 00:00:00.000000000 +0000 +++ debichem-0.0.11/dependency_data/debichem_0.0.11.json 2021-02-07 22:41:32.000000000 +0000 @@ -0,0 +1 @@ +{"view-edit-2d": {"depends": ["bkchem", "chemtool", "easychem", "gchempaint", "xdrawchem", "osra"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "crystallography": {"depends": ["drawxtl", "gcrystal", "python3-fabio", "shelxle", "xcrysden", "gamgi"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "development": {"depends": ["libblas-dev", "libelpa-dev", "libfftw3-dev", "libga-dev", "libint-dev", "libint2-dev", "liblapack-dev", "libmadness-dev", "libpsi3-dev", "libsc-dev", "libscalapack-mpi-dev", "libtiledarray-dev", "libxc-dev", "libopenmm-dev", "libsymspg-dev", "mpi-default-dev"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "periodic-abinitio": {"depends": ["abinit", "openmx", "nwchem", "cp2k", "quantum-espresso", "gpaw", "wannier90"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "molecular-modelling": {"depends": ["avogadro", "ghemical", "pymol", "ballview", "nmoldyn", "mmb", "openstructure"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "visualisation": {"depends": ["adun.app", "avogadro", "cclib", "gabedit", "garlic", "gausssum", "gdis", "gdpc", "jmol", "qutemol", "rasmol", "v-sim", "viewmol", "xbs", "xmakemol", "shelxle", "xcrysden", "drawxtl", "ballview", "raster3d", "kalzium", "gamgi"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "analytical-biochemistry": {"depends": ["massxpert", "minexpert2", "xtpcpp", "toppic", "mmass", "lutefisk", "openms", "libpwiz-tools", "python3-pymzml", "libmstoolkit-tools", "tandem-mass", "r-cran-maldiquant", "r-cran-maldiquantforeign", "r-cran-readbrukerflexdata", "r-cran-readmzxmldata", "r-other-curvefdp", "r-other-nitpick", "r-cran-mixtools", "r-other-amsmercury", "r-other-iwrlars"], "suggests": ["libpwizlite-dev", "libisospec++-dev", "libpwiz-dev", "biceps"], "recommends": [], "ignore": [], "avoid": []}, "input-generation-output-processing": {"depends": ["avogadro", "cclib", "gabedit", "gausssum", "jmol", "viewmol", "xcrysden", "ballview", "ase", "travis", "c2x", "python3-pycifrw"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "cheminformatics": {"depends": ["openbabel", "python3-openbabel", "libcdk-java", "python3-rdkit", "python3-indigo", "python3-cinfony", "libopsin-java", "libopenchemlib-java"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "molecular-dynamics": {"depends": ["adun.app", "cp2k", "dl-poly-classic", "gromacs", "lammps", "nwchem", "votca-csg"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "semiempirical": {"depends": ["mopac7-bin", "cp2k", "molds"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "molecular-abinitio": {"depends": ["mpqc", "psi3", "nwchem", "aces3", "cp2k", "psi4", "elk-lapw", "ergo", "chemps2", "bagel", "mpqc3"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}} \ No newline at end of file diff -Nru debichem-0.0.10/tasks/analytical-biochemistry debichem-0.0.11/tasks/analytical-biochemistry --- debichem-0.0.10/tasks/analytical-biochemistry 2020-01-09 13:41:27.000000000 +0000 +++ debichem-0.0.11/tasks/analytical-biochemistry 2021-02-05 22:36:30.000000000 +0000 @@ -6,10 +6,22 @@ - edit biopolymer sequences; - elaborate complex mass spectrometry workflows; - perform protein database searches using tandem-ms data; - - view and mine mass spectrometric data; + - visualize and explore mass spectrometric data; + - simulate isotopic clusters; + - implement proteomics workflows. Depends: massxpert +Depends: minexpert2 + +Suggests: libpwizlite-dev + +Suggests: libisospec++-dev + +Depends: xtpcpp + +Depends: toppic + Depends: mmass Depends: lutefisk diff -Nru debichem-0.0.10/tasks/cheminformatics debichem-0.0.11/tasks/cheminformatics --- debichem-0.0.10/tasks/cheminformatics 2020-01-12 12:33:44.000000000 +0000 +++ debichem-0.0.11/tasks/cheminformatics 2021-02-05 22:43:24.000000000 +0000 @@ -23,3 +23,5 @@ Published-In: Chem. Cent. J. 2:24 Depends: libopsin-java + +Depends: libopenchemlib-java diff -Nru debichem-0.0.10/tasks/development debichem-0.0.11/tasks/development --- debichem-0.0.10/tasks/development 2020-01-09 13:38:00.000000000 +0000 +++ debichem-0.0.11/tasks/development 2021-02-05 22:47:31.000000000 +0000 @@ -29,4 +29,8 @@ Depends: libxc-dev +Depends: libopenmm-dev + +Depends: libsymspg-dev + Depends: mpi-default-dev diff -Nru debichem-0.0.10/tasks/input-generation-output-processing debichem-0.0.11/tasks/input-generation-output-processing --- debichem-0.0.10/tasks/input-generation-output-processing 2019-12-22 12:50:45.000000000 +0000 +++ debichem-0.0.11/tasks/input-generation-output-processing 2021-02-05 22:49:12.000000000 +0000 @@ -23,3 +23,7 @@ Depends: ase Depends: travis + +Depends: c2x + +Depends: python3-pycifrw diff -Nru debichem-0.0.10/tasks/molecular-modelling debichem-0.0.11/tasks/molecular-modelling --- debichem-0.0.10/tasks/molecular-modelling 2020-01-09 13:23:22.000000000 +0000 +++ debichem-0.0.11/tasks/molecular-modelling 2021-02-05 22:45:59.000000000 +0000 @@ -16,3 +16,7 @@ Pkg-Description: interactive analysis program for Molecular Dynamics simulations nMOLDYN is especially designed for the computation and decomposition of neutron scattering spectra, but also computes other quantities. + +Depends: mmb + +Depends: openstructure diff -Nru debichem-0.0.10/tasks/periodic-abinitio debichem-0.0.11/tasks/periodic-abinitio --- debichem-0.0.10/tasks/periodic-abinitio 2019-12-22 12:50:45.000000000 +0000 +++ debichem-0.0.11/tasks/periodic-abinitio 2021-02-05 22:48:52.000000000 +0000 @@ -14,3 +14,5 @@ Depends: quantum-espresso Depends: gpaw + +Depends: wannier90