commit votca-tools for openSUSE:Factory

2020-08-25 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2020-08-25 09:36:23

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new.3399 (New)


Package is "votca-tools"

Tue Aug 25 09:36:23 2020 rev:16 rq:828957 version:1.6.2

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2020-06-23 
21:05:49.906082066 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.3399/votca-tools.changes
2020-08-25 09:37:39.408172272 +0200
@@ -1,0 +2,9 @@
+Sat Aug 22 18:08:56 UTC 2020 - Christoph Junghans 
+
+- Update to 1.6.2
+  - format code with clang-10 ([gh#votca/tools#278])
+  - move CI to GitHub Actions ([gh#votca/tools#280],
+[gh#votca/tools#285], [gh#votca/tools#287])
+  - fix build with mkl ([gh#votca/tools#283])
+
+---

Old:

  votca-tools-1.6.1.tar.gz

New:

  votca-tools-1.6.2.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.HiQFwI/_old  2020-08-25 09:37:40.720173037 +0200
+++ /var/tmp/diff_new_pack.HiQFwI/_new  2020-08-25 09:37:40.724173040 +0200
@@ -18,7 +18,7 @@
 
 
 Name:   votca-tools
-Version:1.6.1
+Version:1.6.2
 Release:0
 %define uversion %{version}
 %define sover 6
@@ -91,7 +91,7 @@
 sed -i '1s@env @@' %{buildroot}/%{_bindir}/votca_compare
 
 %check
-make -C build test CTEST_OUTPUT_ON_FAILURE=1 %{?testargs}
+%ctest
 
 %files
 %{_bindir}/votca_*

++ votca-tools-1.6.1.tar.gz -> votca-tools-1.6.2.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.6.1/.github/workflows/changelog.yml 
new/tools-1.6.2/.github/workflows/changelog.yml
--- old/tools-1.6.1/.github/workflows/changelog.yml 1970-01-01 
01:00:00.0 +0100
+++ new/tools-1.6.2/.github/workflows/changelog.yml 2020-08-22 
15:31:14.0 +0200
@@ -0,0 +1,40 @@
+name: Changelog
+on:
+  issue_comment:
+types: [created]
+jobs:
+  edit:
+name: add entry
+if: ${{ startsWith(github.event.comment.body, '@votca-bot changelog:') }}
+runs-on: ubuntu-latest
+steps:
+  - name: Check if message comes from PR
+uses: octokit/request-action@v2.x
+id: issue_info
+with:
+  route: GET /repos/:repository/issues/:pull_number
+  repository: ${{ github.repository }}
+  pull_number: ${{ github.event.issue.number }}
+  GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+  - name: Get PR info
+if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }}
+uses: octokit/request-action@v2.x
+id: pr_info
+with:
+  route: GET /repos/:repository/pulls/:pull_number
+  repository: ${{ github.repository }}
+  pull_number: ${{ github.event.issue.number }}
+  GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+  - name: Checkout head branch from PR
+if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }}
+uses: actions/checkout@v2.2.0
+with:
+  repository: ${{ 
fromJSON(steps.pr_info.outputs.data).head.repo.full_name }}
+  ref: ${{ fromJSON(steps.pr_info.outputs.data).head.ref }}
+  token: ${{ secrets.VOTCA_BOT_TOKEN }}
+  - name: Create and commit changelog entry
+if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }}
+uses: votca/actions/changelog@master
+with:
+  message: ${{ github.event.comment.body }}
+  pr_number: ${{ github.event.issue.number }}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' 
old/tools-1.6.1/.github/workflows/continuous-integration-workflow.yml 
new/tools-1.6.2/.github/workflows/continuous-integration-workflow.yml
--- old/tools-1.6.1/.github/workflows/continuous-integration-workflow.yml   
1970-01-01 01:00:00.0 +0100
+++ new/tools-1.6.2/.github/workflows/continuous-integration-workflow.yml   
2020-08-22 15:31:14.0 +0200
@@ -0,0 +1,85 @@
+name: CI
+on:
+  pull_request:
+branches:
+  - master
+  - stable
+
+jobs:
+  CI:
+continue-on-error: ${{ matrix.distro == 'ubuntu_devel' || matrix.distro == 
'fedora_rawhide' || matrix.continue-on-error == true }}
+strategy:
+  matrix:
+distro: [latest, fedora_rawhide, opensuse, ubuntu, ubuntu_devel, 
ubuntu_rolling, ubuntu_18.04, intel]
+toolchain: [gnu, clang]
+cmake_build_type: [Release, Debug]
+minimal: [false]
+own_gmx: [false]
+module_build: [false]
+coverage: [false]
+include:
+  - distro: fedora_nogmx
+

commit votca-tools for openSUSE:Factory

2020-06-23 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2020-06-23 21:05:25

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new.2956 (New)


Package is "votca-tools"

Tue Jun 23 21:05:25 2020 rev:15 rq:816420 version:1.6.1

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2020-06-15 
20:27:38.929779496 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.2956/votca-tools.changes
2020-06-23 21:05:49.906082066 +0200
@@ -1,0 +2,14 @@
+Mon Jun 22 12:11:56 UTC 2020 - Christoph Junghans 
+
+- Update to 1.6.1
+  - fix build with mkl ([gh#votca/tools#229])
+  - fix build with non-system libfftw ([gh#votca/tools#234])
+  - fix CI on Ubuntu-20.04 ([gh#votca/tools#237])
+  - fix bug related to calling c abs instead of c++ fabs
+([gh#votca/tools#248])
+  - updated floating point comparison in akimaspline.h
+([gh#votca/tools#248])
+  - fix compile error in structure parameters by adding hash
+function ([gh#votca/tools#248])
+
+---

Old:

  votca-tools-1.6.tar.gz

New:

  votca-tools-1.6.1.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.xxgl6I/_old  2020-06-23 21:05:50.454083837 +0200
+++ /var/tmp/diff_new_pack.xxgl6I/_new  2020-06-23 21:05:50.458083850 +0200
@@ -18,7 +18,7 @@
 
 
 Name:   votca-tools
-Version:1.6
+Version:1.6.1
 Release:0
 %define uversion %{version}
 %define sover 6
@@ -102,7 +102,8 @@
 %postun -n libvotca_tools%sover -p /sbin/ldconfig
 
 %files -n libvotca_tools%sover
-%doc LICENSE NOTICE
+%doc NOTICE README.md CHANGELOG.md
+%license LICENSE
 %{_libdir}/libvotca_tools.so.%{sover}
 
 %files devel

++ votca-tools-1.6.tar.gz -> votca-tools-1.6.1.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.6/.gitlab-ci.yml 
new/tools-1.6.1/.gitlab-ci.yml
--- old/tools-1.6/.gitlab-ci.yml2020-04-18 05:01:24.0 +0200
+++ new/tools-1.6.1/.gitlab-ci.yml  2020-06-21 15:20:17.0 +0200
@@ -106,6 +106,7 @@
 CXX: "g++"
 CMAKE_BUILD_TYPE: "Debug"
 DISTRO: "ubuntu"
+REGRESSION_TESTING: "OFF"
   extends: .build
 
 Debug Clang Ubuntu:
@@ -114,6 +115,7 @@
 CXX: "clang++"
 CMAKE_BUILD_TYPE: "Debug"
 DISTRO: "ubuntu"
+REGRESSION_TESTING: "OFF"
   extends: .build
 
 Release GCC Ubuntu:
@@ -122,6 +124,7 @@
 CXX: "g++"
 CMAKE_BUILD_TYPE: "Release"
 DISTRO: "ubuntu"
+REGRESSION_TESTING: "OFF"
   extends: .build
 
 Release Clang Ubuntu:
@@ -130,6 +133,7 @@
 CXX: "clang++"
 CMAKE_BUILD_TYPE: "Release"
 DISTRO: "ubuntu"
+REGRESSION_TESTING: "OFF"
   extends: .build
 
 Debug GCC Rawhide:
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.6/CHANGELOG.md new/tools-1.6.1/CHANGELOG.md
--- old/tools-1.6/CHANGELOG.md  2020-04-18 05:01:24.0 +0200
+++ new/tools-1.6.1/CHANGELOG.md2020-06-21 15:20:17.0 +0200
@@ -1,5 +1,13 @@
 For more detailed information about the changes see the history of the 
[repository](https://github.com/votca/tools/commits/stable).
 
+## Version 1.6.1 (released 21.06.20)
+* fix build with mkl (#229)
+* fix build with non-system libfftw (#234)
+* fix CI on Ubuntu-20.04 (#237)
+* fix bug related to calling c abs instead of c++ fabs (#248)
+* updated floating point comparison in akimaspline.h (#248)
+* fix compile error in structure parameters by adding hash function (#248)
+
 ## Version 1.6 _SuperPelagia_ (released 17.04.20)
 * fix clang-10 warnings (#217)
 * clean up VOTCARC.* (#220)
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.6/CMakeLists.txt 
new/tools-1.6.1/CMakeLists.txt
--- old/tools-1.6/CMakeLists.txt2020-04-18 05:01:24.0 +0200
+++ new/tools-1.6.1/CMakeLists.txt  2020-06-21 15:20:17.0 +0200
@@ -2,7 +2,7 @@
 
 project(votca-tools)
 
-set(PROJECT_VERSION "1.6")
+set(PROJECT_VERSION "1.6.1")
 string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION 
"${PROJECT_VERSION}")
 if (NOT ${SOVERSION} MATCHES "[1-9]+")
   message(FATAL_ERROR "Could not determind SOVERSION from ${PROJECT_VERSION}")
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.6/CMakeModules/FindMKL.cmake 
new/tools-1.6.1/CMakeModules/FindMKL.cmake
--- old/tools-1.6/CMakeModules/FindMKL.cmake2020-04-18 05:01:24.0 
+0200
+++ new/tools-1.6.1/CMakeModules/FindMKL.cmake  2020-06-21 15:20:17.0 
+0200
@@ -135,6 +135,10 @@

commit votca-tools for openSUSE:Factory

2020-06-15 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2020-06-15 20:27:28

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new.3606 (New)


Package is "votca-tools"

Mon Jun 15 20:27:28 2020 rev:14 rq:814733 version:1.6

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2019-11-30 
10:37:54.600168379 +0100
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.3606/votca-tools.changes
2020-06-15 20:27:38.929779496 +0200
@@ -1,0 +2,39 @@
+Mon Jun 15 08:03:03 UTC 2020 - Dominique Leuenberger 
+
+- Move the miscellaneous manpages from the library package to the
+  main package. SLPP disallows non-versioned files in the
+  shared-library package as it makes them non-parallel installable
+  to newer versions. Additionally, the man page does not provide
+  information of pure library users.
+- Have the main package conflict with the old library package
+  (libvotca_tools5) that contained the man page.
+
+---
+Sat Apr 18 04:33:29 UTC 2020 - Christoph Junghans 
+
+- Update to 1.6
+  * fix clang-10 warnings ([gh#votca/tools#217])
+  * clean up VOTCARC.* ([gh#votca/tools#220])
+  * fix exported target with mkl ([gh#votca/tools#223],
+  * [gh#votca/tools#224])
+  
+---
+Mon Feb 10 16:29:24 UTC 2020 - Christoph Junghans 
+
+- Update to 1.6_rc2
+  * fix inheritance bug in cmake files ([gh#votca/tools#197])
+  * fix bug in table class ([gh#votca/tools#196])
+  * fix build on 32-bit archs ([gh#votca/tools#199])
+  * remove old doxygen target ([gh#votca/tools#211])
+
+---
+Thu Dec  5 11:02:55 UTC 2019 - Christoph Junghans 
+
+- Update to 1.6_rc1
+  * replaced fftw with Eigen3 fft
+  * replaced random with std::random implementation
+  * added many unit tests
+  * formated code with clang-format
+  * major cmake refactor
+
+---

Old:

  votca-tools-1.5.1.tar.gz

New:

  votca-tools-1.6.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.pbrNEB/_old  2020-06-15 20:27:40.205783916 +0200
+++ /var/tmp/diff_new_pack.pbrNEB/_new  2020-06-15 20:27:40.209783930 +0200
@@ -1,8 +1,8 @@
 #
 # spec file for package votca-tools
 #
-# Copyright (c) 2016 SUSE LINUX GmbH, Nuernberg, Germany.
-# Copyright (c) 2013-2019 Christoph Junghans
+# Copyright (c) 2020 SUSE LLC
+# Copyright (c) 2013-2020 Christoph Junghans
 #
 # All modifications and additions to the file contributed by third parties
 # remain the property of their copyright owners, unless otherwise agreed
@@ -13,42 +13,34 @@
 # license that conforms to the Open Source Definition (Version 1.9)
 # published by the Open Source Initiative.
 
-# Please submit bugfixes or comments via http://bugs.opensuse.org/
-#
-#
-# Originally written by Jussi Lehtola 
-# Fixed for multi-distro build by Klaus Kaempf 
+# Please submit bugfixes or comments via https://bugs.opensuse.org/
 #
 
+
 Name:   votca-tools
-Version:1.5.1
-%define uversion %{version}
-%define sover 5
+Version:1.6
 Release:0
+%define uversion %{version}
+%define sover 6
 Summary:VOTCA tools library
-Group:  Productivity/Scientific/Chemistry
 License:Apache-2.0
+Group:  Productivity/Scientific/Chemistry
 URL:http://www.votca.org
 Source0:
https://github.com/votca/tools/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
 
 BuildRoot:  %{_tmppath}/%{name}-%{version}-build
 
-BuildRequires:  gcc-c++
-BuildRequires:  pkg-config
-BuildRequires:  libexpat-devel
-BuildRequires:  pkgconfig(sqlite3)
-BuildRequires:  pkgconfig(fftw3)
+BuildRequires:  cmake
 BuildRequires:  eigen3-devel
-%if 0%{?suse_version} > 1325
+BuildRequires:  fftw3-devel
+BuildRequires:  gcc-c++
 BuildRequires:  libboost_filesystem-devel
-BuildRequires:  libboost_system-devel
 BuildRequires:  libboost_program_options-devel
+BuildRequires:  libboost_system-devel
 BuildRequires:  libboost_test-devel
-%else
-BuildRequires:  boost-devel >= 1.39.0
-%endif
-BuildRequires:  cmake
-BuildRequires:  txt2tags
+BuildRequires:  libexpat-devel
+BuildRequires:  pkg-config
+Conflicts:  libvotca_tools5 < %{version}
 
 %description
 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
@@ -69,8 +61,11 @@
 %package devel
 Summary:Development headers and libraries for votca-tools
 Group:  Development/Libraries/C and C++
-Requires:   libvotca_tools%sover =

commit votca-tools for openSUSE:Factory

2019-11-30 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2019-11-30 10:37:03

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new.26869 (New)


Package is "votca-tools"

Sat Nov 30 10:37:03 2019 rev:13 rq:750178 version:1.5.1

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2019-09-26 
20:41:43.094464866 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.26869/votca-tools.changes   
2019-11-30 10:37:54.600168379 +0100
@@ -1,0 +2,8 @@
+Thu Nov 21 14:52:47 UTC 2019 - Christoph Junghans 
+
+- Upgrade to 1.5.1
+  * switch votca_compare to python3
+  * more clear error message for xmlreader
+  * fix build on CentOs7
+
+---

Old:

  votca-tools-1.5.tar.gz

New:

  votca-tools-1.5.1.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.FRA9UH/_old  2019-11-30 10:37:55.592168261 +0100
+++ /var/tmp/diff_new_pack.FRA9UH/_new  2019-11-30 10:37:55.596168260 +0100
@@ -21,7 +21,7 @@
 #
 
 Name:   votca-tools
-Version:1.5
+Version:1.5.1
 %define uversion %{version}
 %define sover 5
 Release:0

++ votca-tools-1.5.tar.gz -> votca-tools-1.5.1.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.5/.gitlab-ci.yml 
new/tools-1.5.1/.gitlab-ci.yml
--- old/tools-1.5/.gitlab-ci.yml2019-01-31 15:48:11.0 +0100
+++ new/tools-1.5.1/.gitlab-ci.yml  2019-11-21 03:36:58.0 +0100
@@ -11,6 +11,11 @@
 DISTRO: "latest"
   image: votca/buildenv:${DISTRO}
   stage: build
+  artifacts:
+paths:
+  - ${CI_PROJECT_DIR}/votca
+when: always 
+  dependencies: []
   cache:
 paths:
   - ccache/
@@ -18,19 +23,21 @@
 - ccache -z
 - j="$(grep -c processor /proc/cpuinfo 2>/dev/null)" || j=0; ((j++))
 - git branch commit_of_build_${CI_BUILD_ID} ${CI_COMMIT_SHA}
-- cd $HOME
-- git clone --recursive https://github.com/votca/votca
+- git clone https://github.com/votca/votca
 - pushd votca
-- if [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || 
${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
-git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]} && git 
submodule update --recursive --init;
+- if [[ ${CI_COMMIT_TAG} = v[12].[0-9]* ]]; then
+git checkout -b ${CI_COMMIT_TAG} ${CI_COMMIT_TAG};
+  elif [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || 
${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
+git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]};
   fi
+- git submodule update --recursive --init
 - git -C ${CI_PROJECT_NAME} fetch ${CI_PROJECT_DIR} 
commit_of_build_${CI_BUILD_ID}
 - git -C ${CI_PROJECT_DIR} branch -d commit_of_build_${CI_BUILD_ID}
 - git -C ${CI_PROJECT_NAME} checkout -f ${CI_COMMIT_SHA}
 - mkdir -p build
 - pushd build
 - cmake .. -DENABLE_TESTING=ON -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON 
-DBUILD_CTP=ON -DBUILD_CTP_MANUAL=ON -DBUILD_CSG_MANUAL=ON 
-DBUILD_XTP_MANUAL=ON -DCMAKE_INSTALL_PREFIX=/usr 
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-  -DMODULE_BUILD=${MODULE_BUILD} 
${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install}
+  -DMODULE_BUILD=${MODULE_BUILD} 
${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install 
-DBUILD_XTP_MANUAL=OFF}
   ${MINIMAL:+-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=ON -DWITH_FFTW=OFF 
-DWITH_GSL=OFF -DCMAKE_DISABLE_FIND_PACKAGE_GSL=ON
   -DWITH_MKL=OFF -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON -DBUILD_MANPAGES=OFF 
-DWITH_GMX=OFF -DWITH_SQLITE3=OFF
   -DCMAKE_DISABLE_FIND_PACKAGE_SQLITE3=ON -DBUILD_XTP=OFF -DBUILD_CTP=OFF}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.5/CHANGELOG.md new/tools-1.5.1/CHANGELOG.md
--- old/tools-1.5/CHANGELOG.md  2019-01-31 15:48:11.0 +0100
+++ new/tools-1.5.1/CHANGELOG.md2019-11-21 03:36:58.0 +0100
@@ -1,5 +1,11 @@
 For more detailed information about the changes see the history of the 
[repository](https://github.com/votca/tools/commits/stable).
 
+## Version 1.5.1 (released 20.11.19)
+ * switch votca_compare to python3
+ * more clear error message for xmlreader
+ * fix build on CentOs7
+
+
 ## Version 1.5 _SuperVictor_ (released 31.01.19)
  * enable gitlab CI
 
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.5/CMakeLists.txt 
new/tools-1.5.1/CMakeLists.txt
--- old/tools-1.5/CMakeLists.txt2019-01-31

commit votca-tools for openSUSE:Factory

2019-09-26 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2019-09-26 20:41:38

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new.2352 (New)


Package is "votca-tools"

Thu Sep 26 20:41:38 2019 rev:12 rq:733260 version:1.5

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2019-03-26 
15:44:13.104164158 +0100
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.2352/votca-tools.changes
2019-09-26 20:41:43.094464866 +0200
@@ -1,0 +2,5 @@
+Thu Sep 26 00:52:50 UTC 2019 - Christoph Junghans 
+
+- Fix build on i586
+
+---



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.YLaDYx/_old  2019-09-26 20:41:43.642463402 +0200
+++ /var/tmp/diff_new_pack.YLaDYx/_new  2019-09-26 20:41:43.646463391 +0200
@@ -96,7 +96,11 @@
 sed -i '1s@env @@' %{buildroot}/%{_bindir}/votca_compare
 
 %check
-make -C build test CTEST_OUTPUT_ON_FAILURE=1
+# https://github.com/votca/tools/issues/166
+%ifarch i586
+%global testargs ARGS='-E unit_test_elements'
+%endif
+make -C build test CTEST_OUTPUT_ON_FAILURE=1 %{?testargs:%{testargs}}
 
 %files
 %defattr(-,root,root,-)

commit votca-tools for openSUSE:Factory

2019-03-26 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2019-03-26 15:43:39

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new.25356 (New)


Package is "votca-tools"

Tue Mar 26 15:43:39 2019 rev:11 rq:686798 version:1.5

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2019-02-28 
21:38:23.565640386 +0100
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.25356/votca-tools.changes   
2019-03-26 15:44:13.104164158 +0100
@@ -1,0 +2,5 @@
+Tue Mar 19 23:25:42 UTC 2019 - Christoph Junghans 
+
+- Fix build with boost-1.69
+
+---



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.rMRRyo/_old  2019-03-26 15:44:13.596163581 +0100
+++ /var/tmp/diff_new_pack.rMRRyo/_new  2019-03-26 15:44:13.600163576 +0100
@@ -41,6 +41,7 @@
 BuildRequires:  eigen3-devel
 %if 0%{?suse_version} > 1325
 BuildRequires:  libboost_filesystem-devel
+BuildRequires:  libboost_system-devel
 BuildRequires:  libboost_program_options-devel
 BuildRequires:  libboost_test-devel
 %else

commit votca-tools for openSUSE:Factory

2019-02-28 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2019-02-28 21:38:18

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new.28833 (New)


Package is "votca-tools"

Thu Feb 28 21:38:18 2019 rev:10 rq:670458 version:1.5

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2017-09-04 
12:39:13.634991647 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.28833/votca-tools.changes   
2019-02-28 21:38:23.565640386 +0100
@@ -1,0 +2,10 @@
+Thu Jan 31 16:34:20 UTC 2019 - Christoph Junghans 
+
+- Upgrade to 1.5
+  * histogramnew: refactor to fix memory lead
+  * added unit testing
+  * Eigen added as a dependency
+  * removed GSL dependency
+  * details: https://github.com/votca/tools/blob/master/CHANGELOG.md
+
+---

Old:

  votca-tools-1.4.1.tar.gz

New:

  votca-tools-1.5.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.SmsXmI/_old  2019-02-28 21:38:24.089640221 +0100
+++ /var/tmp/diff_new_pack.SmsXmI/_new  2019-02-28 21:38:24.097640218 +0100
@@ -2,7 +2,7 @@
 # spec file for package votca-tools
 #
 # Copyright (c) 2016 SUSE LINUX GmbH, Nuernberg, Germany.
-# Copyright (c) 2013-2017 Christoph Junghans
+# Copyright (c) 2013-2019 Christoph Junghans
 #
 # All modifications and additions to the file contributed by third parties
 # remain the property of their copyright owners, unless otherwise agreed
@@ -21,8 +21,9 @@
 #
 
 Name:   votca-tools
-Version:1.4.1
-%define uversion 1.4.1
+Version:1.5
+%define uversion %{version}
+%define sover 5
 Release:0
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry
@@ -37,10 +38,11 @@
 BuildRequires:  libexpat-devel
 BuildRequires:  pkgconfig(sqlite3)
 BuildRequires:  pkgconfig(fftw3)
-BuildRequires:  pkgconfig(gsl)
+BuildRequires:  eigen3-devel
 %if 0%{?suse_version} > 1325
 BuildRequires:  libboost_filesystem-devel
 BuildRequires:  libboost_program_options-devel
+BuildRequires:  libboost_test-devel
 %else
 BuildRequires:  boost-devel >= 1.39.0
 %endif
@@ -52,11 +54,11 @@
 a package to reduce the amount of routine work when doing systematic
 coarse-graining of various systems. The core is written in C++.
 
-%package -n libvotca_tools4
+%package -n libvotca_tools%sover
 Summary:VOTCA tools library
 Group:  System/Libraries
 
-%description -n libvotca_tools4
+%description -n libvotca_tools%sover
 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
 a package to reduce the amount of routine work when doing systematic
 coarse-graining of various systems. The core is written in C++.
@@ -66,7 +68,7 @@
 %package devel
 Summary:Development headers and libraries for votca-tools
 Group:  Development/Libraries/C and C++
-Requires:   libvotca_tools4 = %{version}
+Requires:   libvotca_tools%sover = %{version}
 Requires:   %{name} = %{version}
 
 %description devel
@@ -85,21 +87,25 @@
 sed -i -e "s/__DATE__/\"$FAKE_BUILDDATE\"/" -e 
"s/__TIME__/\"$FAKE_BUILDTIME\"/" src/libtools/version{,_nb}.cc
 
 %build
-%{cmake} -DWITH_RC_FILES=OFF -DLIB=%{_lib} -DCMAKE_SKIP_RPATH=OFF
+%{cmake} -DWITH_RC_FILES=OFF -DCMAKE_SKIP_RPATH=OFF -DENABLE_TESTING=ON
 make %{?_smp_mflags}
 
 %install
 make -C build install DESTDIR=%{buildroot}
+sed -i '1s@env @@' %{buildroot}/%{_bindir}/votca_compare
+
+%check
+make -C build test CTEST_OUTPUT_ON_FAILURE=1
 
 %files
 %defattr(-,root,root,-)
 %{_bindir}/votca_*
 %{_mandir}/man1/*
 
-%post -n libvotca_tools4 -p /sbin/ldconfig
-%postun -n libvotca_tools4 -p /sbin/ldconfig
+%post -n libvotca_tools%sover -p /sbin/ldconfig
+%postun -n libvotca_tools%sover -p /sbin/ldconfig
 
-%files -n libvotca_tools4
+%files -n libvotca_tools%sover
 %defattr(-,root,root,-)
 %doc LICENSE NOTICE
 %{_libdir}/libvotca_tools.so.*

++ votca-tools-1.4.1.tar.gz -> votca-tools-1.5.tar.gz ++
 15578 lines of diff (skipped)

commit votca-tools for openSUSE:Factory

2017-09-04 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2017-09-04 12:39:10

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new (New)


Package is "votca-tools"

Mon Sep  4 12:39:10 2017 rev:9 rq:520512 version:1.4.1

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2017-02-03 
20:04:47.589016113 +0100
+++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 
2017-09-04 12:39:13.634991647 +0200
@@ -1,0 +2,7 @@
+Sun Sep  3 13:23:09 UTC 2017 - jungh...@votca.org
+
+- Upgrade to 1.4.1
+  * fix pkg-config files
+  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
+
+---

Old:

  votca-tools-1.4.tar.gz

New:

  votca-tools-1.4.1.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.1aVqCO/_old  2017-09-04 12:39:14.546863355 +0200
+++ /var/tmp/diff_new_pack.1aVqCO/_new  2017-09-04 12:39:14.550862793 +0200
@@ -2,7 +2,7 @@
 # spec file for package votca-tools
 #
 # Copyright (c) 2016 SUSE LINUX GmbH, Nuernberg, Germany.
-# Copyright (c) 2013-2016 Christoph Junghans
+# Copyright (c) 2013-2017 Christoph Junghans
 #
 # All modifications and additions to the file contributed by third parties
 # remain the property of their copyright owners, unless otherwise agreed
@@ -21,8 +21,8 @@
 #
 
 Name:   votca-tools
-Version:1.4
-%define uversion 1.4
+Version:1.4.1
+%define uversion 1.4.1
 Release:0
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry

++ votca-tools-1.4.tar.gz -> votca-tools-1.4.1.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.4/.travis.yml new/tools-1.4.1/.travis.yml
--- old/tools-1.4/.travis.yml   2016-10-29 18:47:46.0 +0200
+++ new/tools-1.4.1/.travis.yml 2017-09-02 20:49:40.0 +0200
@@ -31,13 +31,12 @@
   - texlive-latex-extra
   - doxygen
   - graphviz
-  - python-numpy
   - gnuplot-nox
   - octave
 
 env:
   global:
-- HDF5_VERSION=1.8.14
+- HDF5_VERSION=1.8.18
 - GMX_MAX_THREADS=8
 - CCACHE_CPP2=yes #for clang
 - GVER=4.8
@@ -57,14 +56,15 @@
   - wget https://raw.githubusercontent.com/votca/buildutil/master/build.sh && 
chmod 755 build.sh
   - mkdir -p "$HOME/votca/src"
   - if [[ ${MINIMAL} != yes ]]; then 
-  wget -qO- 
https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-${HDF5_VERSION}/src/hdf5-${HDF5_VERSION}.tar.gz
 | tar -xz &&
+  wget -qO- 
https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-${HDF5_VERSION%.*}/hdf5-${HDF5_VERSION}/src/hdf5-${HDF5_VERSION}.tar.gz
 | tar -xz &&
   cd hdf5-${HDF5_VERSION} && ./configure --prefix=$HOME/hdf5 && make -j4 
&> /dev/null && make install && cd ..;
 fi
   - if [[ ${MAN} ]]; then git clone --depth=1 
https://github.com/votca/doxygen.git "$HOME/votca/src/devdoc"; fi 
   - if [[ ${GVER} ]]; then export CC=gcc-${GVER}; export CXX=g++-${GVER}; fi
+  - pip install --user numpy
 
 script:
-  - PATH="$HOME/hdf5:$PATH" ./build.sh -Wu $([[ ${TRAVIS_BRANCH} = stable ]] 
|| echo "--dev") --prefix "$HOME/votca"
+  - PATH="$HOME/hdf5:$PATH" ./build.sh -Wu --prefix "$HOME/votca"
 ${TYPE:+-DCMAKE_BUILD_TYPE=${TYPE}}
 ${TEST:+--runtest=$TEST} ${WERROR:+--warn-to-errors} -DWITH_H5MD=ON 
${MINIMAL:+--minimal} ${MAN:+--devdoc}
 ${J:+-j$J} ${BDIR:+--builddir=$BDIR} ${NINJA:+--ninja} ${WALL:+--Wall} 
${GMX_VERSION:+--gmx-release ${GMX_VERSION}}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.4/CMakeLists.txt 
new/tools-1.4.1/CMakeLists.txt
--- old/tools-1.4/CMakeLists.txt2016-10-29 18:47:46.0 +0200
+++ new/tools-1.4.1/CMakeLists.txt  2017-09-02 20:49:40.0 +0200
@@ -2,7 +2,7 @@
 
 project(votca-tools)
 
-set(PROJECT_VERSION "1.4")
+set(PROJECT_VERSION "1.4.1")
 string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION 
"${PROJECT_VERSION}")
 if (NOT ${SOVERSION} MATCHES "[1-9]+")
   message(FATAL_ERROR "Could not determind SOVERSION from ${PROJECT_VERSION}")
@@ -87,7 +87,7 @@
 
 if(MKL_FOUND)
   set(MKL_URL 
"http://software.intel.com/sites/default/files/managed/76/8c/intel-mkl-and-boost-example.zip;)
-  set(MKL_MD5 B957EE63A2167AD21B650B47726CD55C )
+  set(MKL_MD5 b957ee63a2167ad21b650b47726cd55c )
   set(MKL_FILE "intel-mkl-and-boost-example.zip")
   
   include(ExternalProject)
@@ -98,9 +98,10 @@
   BUILD_COMMAND ""
   INSTALL_COMMAND ""
   )
-  set(MKL_INCLUDE_DIR

commit votca-tools for openSUSE:Factory

2017-02-03 Thread root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2017-02-03 16:29:44

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new (New)


Package is "votca-tools"

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2016-08-25 
09:56:04.0 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 
2017-02-03 20:04:47.589016113 +0100
@@ -1,0 +2,25 @@
+Thu Feb  2 15:36:20 UTC 2017 - adam.ma...@suse.de
+
+- use individual libboost-*-devel packages instead of boost-devel
+
+---
+Mon Oct 31 00:17:10 UTC 2016 - jeng...@inai.de
+
+- RPM group fixing
+- Trim filler words from description
+
+---
+Sat Oct 29 21:26:13 UTC 2016 - jungh...@votca.org
+
+- Upgrade to 1.4
+  * added support for boost-1.62
+  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
+
+---
+Tue Sep 27 17:33:51 UTC 2016 - jungh...@votca.org
+
+- Upgrade to 1.4_rc1
+  * added support for mkl as gsl replacement
+  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
+
+---

Old:

  votca-tools-1.3.1.tar.gz

New:

  votca-tools-1.4.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.qlbtEi/_old  2017-02-03 20:04:48.080946871 +0100
+++ /var/tmp/diff_new_pack.qlbtEi/_new  2017-02-03 20:04:48.084946308 +0100
@@ -1,52 +1,64 @@
 #
-# votca_tools.spec
+# spec file for package votca-tools
+#
+# Copyright (c) 2016 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2013-2016 Christoph Junghans
+#
+# All modifications and additions to the file contributed by third parties
+# remain the property of their copyright owners, unless otherwise agreed
+# upon. The license for this file, and modifications and additions to the
+# file, is the same license as for the pristine package itself (unless the
+# license for the pristine package is not an Open Source License, in which
+# case the license is the MIT License). An "Open Source License" is a
+# license that conforms to the Open Source Definition (Version 1.9)
+# published by the Open Source Initiative.
+
+# Please submit bugfixes or comments via http://bugs.opensuse.org/
 #
-# Copyright (c) 2013-2016 Christoph Junghans 
 #
 # Originally written by Jussi Lehtola 
 # Fixed for multi-distro build by Klaus Kaempf 
 #
-# Licensed under the Apache Software License (ASL 2.0)
-#
 
 Name:   votca-tools
-Version:1.3.1
+Version:1.4
+%define uversion 1.4
 Release:0
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry
 License:Apache-2.0
 URL:http://www.votca.org
-Source0:
https://github.com/votca/tools/archive/v%{version}.tar.gz#/%{name}-%{version}.tar.gz
+Source0:
https://github.com/votca/tools/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
 
 BuildRoot:  %{_tmppath}/%{name}-%{version}-build
 
 BuildRequires:  gcc-c++
-%if %{defined fedora}
-BuildRequires:  pkgconfig
-BuildRequires:  expat-devel
-%else
 BuildRequires:  pkg-config
 BuildRequires:  libexpat-devel
-%endif
 BuildRequires:  pkgconfig(sqlite3)
 BuildRequires:  pkgconfig(fftw3)
 BuildRequires:  pkgconfig(gsl)
+%if 0%{?suse_version} > 1325
+BuildRequires:  libboost_filesystem-devel
+BuildRequires:  libboost_program_options-devel
+%else
 BuildRequires:  boost-devel  >= 1.39.0
+%endif
 BuildRequires:  cmake
 BuildRequires:  txt2tags
 
 %description
 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
-a package intended to reduce the amount of routine work when doing systematic
+a package to reduce the amount of routine work when doing systematic
 coarse-graining of various systems. The core is written in C++.
 
-%package -n libvotca_tools3
+%package -n libvotca_tools4
 Summary:VOTCA tools library
-Group:  Productivity/Scientific/Chemistry
+Group:  System/Libraries
 
-%description -n libvotca_tools3
+%description -n libvotca_tools4
 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
-a package intended to reduce the amount of routine work when doing systematic
+a package to reduce the amount of routine work when doing systematic
 coarse-graining of various systems. The core is written in C++.
 
 This package contains the basic tools library of VOTCA package.
@@ -54,52 +66,40 @@
 %package

commit votca-tools for openSUSE:Factory

2016-08-25 Thread h_root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2016-08-25 09:56:02

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new (New)


Package is "votca-tools"

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2016-01-22 
01:09:31.0 +0100
+++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 
2016-08-25 09:56:04.0 +0200
@@ -1,0 +2,7 @@
+Fri Aug 19 21:28:36 UTC 2016 - jungh...@votca.org
+
+- Upgrade to 1.3
+  * fix bug in histogram class
+  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
+
+---

Old:

  votca-tools-1.3.tar.gz

New:

  votca-tools-1.3.1.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.PhZdJK/_old  2016-08-25 09:56:05.0 +0200
+++ /var/tmp/diff_new_pack.PhZdJK/_new  2016-08-25 09:56:05.0 +0200
@@ -10,7 +10,7 @@
 #
 
 Name:   votca-tools
-Version:1.3
+Version:1.3.1
 Release:0
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry

++ votca-tools-1.3.tar.gz -> votca-tools-1.3.1.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.3/CMakeLists.txt 
new/tools-1.3.1/CMakeLists.txt
--- old/tools-1.3/CMakeLists.txt2016-01-15 22:48:59.0 +0100
+++ new/tools-1.3.1/CMakeLists.txt  2016-08-19 22:03:11.0 +0200
@@ -2,7 +2,7 @@
 
 project(votca-tools)
 
-set(PROJECT_VERSION "1.3")
+set(PROJECT_VERSION "1.3.1")
 string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION 
"${PROJECT_VERSION}")
 if (NOT ${SOVERSION} MATCHES "[1-9]+")
   message(FATAL_ERROR "Could not determind SOVERSION from ${PROJECT_VERSION}")
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.3/include/votca/tools/calculator.h 
new/tools-1.3.1/include/votca/tools/calculator.h
--- old/tools-1.3/include/votca/tools/calculator.h  2016-01-15 
22:48:59.0 +0100
+++ new/tools-1.3.1/include/votca/tools/calculator.h2016-08-19 
22:03:11.0 +0200
@@ -1,5 +1,5 @@
 /*
- *Copyright 2009-2012 The VOTCA Development Team
+ *Copyright 2009-2016 The VOTCA Development Team
  *   (http://www.votca.org)
  *
  *  Licensed under the Apache License, Version 2.0 (the "License")
@@ -18,14 +18,14 @@
  */
 
 
-#ifndef VOTCA_CTP_CALCULATOR_H
-#define VOTCA_CTP_CALCULATOR_H
+#ifndef VOTCA_TOOLS_CALCULATOR_H
+#define VOTCA_TOOLS_CALCULATOR_H
 
 #include 
 #include 
 #include 
 
-namespace votca { namespace ctp {
+namespace votca { namespace tools {
 
 /**
  * \brief Base class for all calculators
@@ -115,7 +115,7 @@
 if(votca_share == NULL) throw std::runtime_error("VOTCASHARE not set, 
cannot open help files.");   
 // load the xml description of the calculator (with defaults and test 
values)
 std::string xmlFile = std::string(getenv("VOTCASHARE")) 
-+ std::string("/ctp/xml/") + id + std::string(".xml");
++ std::string("/tools/xml/") + id + std::string(".xml");
 
 votca::tools::Property defaults, _defaults;
 votca::tools::load_property_from_xml(_defaults, xmlFile);
@@ -158,4 +158,4 @@
 
 }}
 
-#endif /* VOTCA_CTP_CALCULATOR_H */
+#endif /* VOTCA_TOOLS_CALCULATOR_H */
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.3/scripts/VOTCARC.bash.in 
new/tools-1.3.1/scripts/VOTCARC.bash.in
--- old/tools-1.3/scripts/VOTCARC.bash.in   2016-01-15 22:48:59.0 
+0100
+++ new/tools-1.3.1/scripts/VOTCARC.bash.in 2016-08-19 22:03:11.0 
+0200
@@ -1,4 +1,5 @@
-# 
+#!/usr/bin/env bash
+#
 # Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
 #
 # Licensed under the Apache License, Version 2.0 (the "License");
@@ -31,7 +32,7 @@
 done
 unset rc
 
-#bash cmopletion
+#bash completion
 if [ -n "$BASH_VERSION" ]; then 
   for comp in "@CMAKE_INSTALL_PREFIX@/@DATA@"/rc/*completion.bash; do
 [ -r "$comp" ] && source "$comp"
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.3/scripts/VOTCARC.csh.in 
new/tools-1.3.1/scripts/VOTCARC.csh.in
--- old/tools-1.3/scripts/VOTCARC.csh.in2016-01-15 22:48:59.0 
+0100
+++ new/tools-1.3.1/scripts/VOTCARC.csh.in  2016-08-19 22:03:11.0 
+0200
@@ -1,4 +1,5 @@
-# 
+#!/usr/bin/env csh
+#
 # Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
 #
 # Licensed under the Apache License, Version 2.0 (the

commit votca-tools for openSUSE:Factory

2016-01-21 Thread h_root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2016-01-21 23:43:57

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new (New)


Package is "votca-tools"

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2015-10-20 
00:05:08.0 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 
2016-01-22 01:09:31.0 +0100
@@ -1,0 +2,6 @@
+Fri Jan 15 22:45:01 UTC 2016 - jungh...@votca.org
+
+- Upgrade to 1.3
+  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
+
+---

Old:

  votca-tools-1.3_rc1.tar.gz

New:

  votca-tools-1.3.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.SDxLQm/_old  2016-01-22 01:09:34.0 +0100
+++ /var/tmp/diff_new_pack.SDxLQm/_new  2016-01-22 01:09:34.0 +0100
@@ -1,7 +1,7 @@
 #
 # votca_tools.spec
 #
-# Copyright (c) 2013-2015 Christoph Junghans 
+# Copyright (c) 2013-2016 Christoph Junghans 
 #
 # Originally written by Jussi Lehtola 
 # Fixed for multi-distro build by Klaus Kaempf 
@@ -10,14 +10,13 @@
 #
 
 Name:   votca-tools
-Version:1.3~rc1
-%define uversion 1.3_rc1
+Version:1.3
 Release:0
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry
 License:Apache-2.0
 URL:http://www.votca.org
-Source0:
https://github.com/votca/tools/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
+Source0:
https://github.com/votca/tools/archive/v%{version}.tar.gz#/%{name}-%{version}.tar.gz
 
 BuildRoot:  %{_tmppath}/%{name}-%{version}-build
 
@@ -55,7 +54,7 @@
 %package devel
 Summary:Development headers and libraries for votca-tools
 Group:  Development/Libraries/C and C++
-Requires:   libvotca_tools3 = %{version}-%{release}
+Requires:   libvotca_tools3 = %{version}
 
 %description devel
 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
@@ -65,7 +64,7 @@
 This package contains development headers and libraries for votca-tools.
 
 %prep
-%setup -n tools-%{uversion} -q
+%setup -n tools-%{version} -q
 
 %build
 %if %{defined fedora}

++ votca-tools-1.3_rc1.tar.gz -> votca-tools-1.3.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/tools-1.3_rc1/.travis.yml new/tools-1.3/.travis.yml
--- old/tools-1.3_rc1/.travis.yml   2015-09-23 19:46:08.0 +0200
+++ new/tools-1.3/.travis.yml   2016-01-15 22:48:59.0 +0100
@@ -4,71 +4,86 @@
 
 language: cpp
 
-before_install:
- - if [[ $CTP = yes ]]; then sudo add-apt-repository -y ppa:boost-latest/ppa; 
fi #newer boost for libboost_timer
- - sudo apt-get update
- - sudo apt-get install cmake libfftw3-dev libgsl0-dev txt2tags 
libboost-program-options-dev libboost-filesystem-dev libboost-system-dev 
libexpat1-dev libsqlite3-dev pkg-config mercurial
- - if [[ $MAN ]]; then sudo apt-get install pgf texlive-fonts-recommended 
texlive-latex-extra doxygen graphviz; fi
- - if [[ $TEST = *cma* ]]; then sudo apt-get install python-numpy gnuplot-nox; 
fi
- - if [[ $TEST = *imc ]]; then sudo apt-get install octave; fi
- - if [[ $TEST = *simplex* ]]; then sudo apt-get install gnuplot-nox; fi
- - if [[ $TEST = *realtime ]]; then sudo apt-get install gnuplot-nox; fi
- - if [[ $GROMACS != yes ]]; then sudo apt-get install gromacs-dev; fi
- - if [[ $CTP = yes ]]; then sudo apt-get install libboost1.48-all-dev; fi
-
-env: #NINJA=1 is currently not support by Travis' cmake, enable when >=2.8.9
-  - WERROR=yes J=4 #J>4 triggers an internal compiler in travis' g++
-  - CTP=yes WERROR=yes J=4
-  - CTP=yes WALL=yes J=4
-  - J=1
-  - BDIR=build J=4
-  - BDIR=build J=1
-  - MAN=yes J=4
-  - MINIMAL=yes J=4
-  - CSG_MDRUN_STEPS=500 TEST=hexane/ibi_bonded J=4
-  - CSG_MDRUN_STEPS=500 TEST=hexane/ibi J=4
-  - CSG_MDRUN_STEPS=500 TEST=methanol/ibi J=4
-  - CSG_MDRUN_STEPS=1 TEST=methanol/imc J=4
-  - CSG_MDRUN_STEPS=5000 TEST=methanol-water/X_0.938/re J=4
-  - CSG_MDRUN_STEPS=500 TEST=methanol-water/X_0.938/simplex J=4
-  - CSG_MDRUN_STEPS=5000 TEST=methanol-water/X_0.062/re J=4
-  - CSG_MDRUN_STEPS=500 TEST=methanol-water/X_0.062/simplex J=4
-  - CSG_MDRUN_STEPS=5000 TEST=methanol-water/X_0.5/re J=4
-  - CSG_MDRUN_STEPS=500 TEST=methanol-water/X_0.5/simplex J=4
-  - CSG_MDRUN_STEPS=500 TEST=propane/ibi J=4
-  - CSG_MDRUN_STEPS=1 TEST=propane/imc J=4
-  - CSG_MDRUN_STEPS=500 TEST=spce/cma/density J=4
-  - CSG_MDRUN_STEPS=500

commit votca-tools for openSUSE:Factory

2015-10-19 Thread h_root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2015-10-19 22:51:11

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new (New)


Package is "votca-tools"

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2014-09-06 
17:05:31.0 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 
2015-10-20 00:05:08.0 +0200
@@ -1,0 +2,6 @@
+Thu Oct  8 10:23:57 UTC 2015 - jungh...@votca.org
+
+- Upgrade to 1.3_rc1
+  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
+
+---

Old:

  votca-tools-1.2.4_pristine.tar.gz

New:

  votca-tools-1.3_rc1.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.JzfHGT/_old  2015-10-20 00:05:08.0 +0200
+++ /var/tmp/diff_new_pack.JzfHGT/_new  2015-10-20 00:05:08.0 +0200
@@ -1,7 +1,7 @@
 #
 # votca_tools.spec
 #
-# Copyright (c) 2013-2014 Christoph Junghans 
+# Copyright (c) 2013-2015 Christoph Junghans 
 #
 # Originally written by Jussi Lehtola 
 # Fixed for multi-distro build by Klaus Kaempf 
@@ -10,13 +10,14 @@
 #
 
 Name:   votca-tools
-Version:1.2.4
+Version:1.3~rc1
+%define uversion 1.3_rc1
 Release:0
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry
 License:Apache-2.0
 URL:http://www.votca.org
-Source0:
http://downloads.votca.googlecode.com/hg/%{name}-%{version}_pristine.tar.gz
+Source0:
https://github.com/votca/tools/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
 
 BuildRoot:  %{_tmppath}/%{name}-%{version}-build
 
@@ -40,11 +41,11 @@
 a package intended to reduce the amount of routine work when doing systematic
 coarse-graining of various systems. The core is written in C++.
 
-%package -n libvotca_tools2
+%package -n libvotca_tools3
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry
 
-%description -n libvotca_tools2
+%description -n libvotca_tools3
 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
 a package intended to reduce the amount of routine work when doing systematic
 coarse-graining of various systems. The core is written in C++.
@@ -54,7 +55,7 @@
 %package devel
 Summary:Development headers and libraries for votca-tools
 Group:  Development/Libraries/C and C++
-Requires:   libvotca_tools2 = %{version}-%{release}
+Requires:   libvotca_tools3 = %{version}-%{release}
 
 %description devel
 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
@@ -64,10 +65,7 @@
 This package contains development headers and libraries for votca-tools.
 
 %prep
-%setup -q
-# Get rid of bundled versions of boost and expat
-rm -rf src/libboost
-rm -rf src/libexpat
+%setup -n tools-%{uversion} -q
 
 %build
 %if %{defined fedora}
@@ -86,7 +84,7 @@
  -DCMAKE_C_FLAGS_RELEASE:STRING="%{optflags}" \
  -DCMAKE_CXX_FLAGS_RELEASE:STRING="%{optflags}" \
  -DCMAKE_BUILD_TYPE=Release \
- -DCMAKE_SKIP_RPATH=1 \
+ -DCMAKE_SKIP_RPATH:BOOL=OFF \
  -DLIB=%{_lib} ..
 make %{?_smp_mflags}
 
@@ -94,10 +92,15 @@
 cd build
 make install DESTDIR=%{buildroot}
 
-%post -n libvotca_tools2 -p /sbin/ldconfig
-%postun -n libvotca_tools2 -p /sbin/ldconfig
+%files
+%defattr(-,root,root,-)
+%{_bindir}/votca_*
+%{_mandir}/man1/*
+
+%post -n libvotca_tools3 -p /sbin/ldconfig
+%postun -n libvotca_tools3 -p /sbin/ldconfig
 
-%files -n libvotca_tools2
+%files -n libvotca_tools3
 %defattr(-,root,root,-)
 %doc LICENSE NOTICE
 %{_libdir}/libvotca_tools.so.*

commit votca-tools for openSUSE:Factory

2014-09-06 Thread h_root 
Hello community,

here is the log from the commit of package votca-tools for openSUSE:Factory 
checked in at 2014-09-06 12:19:01

Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
 and  /work/SRC/openSUSE:Factory/.votca-tools.new (New)


Package is votca-tools

Changes:

--- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes  2014-01-02 
11:15:38.0 +0100
+++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 
2014-09-06 17:05:31.0 +0200
@@ -1,0 +2,7 @@
+Fri Sep  5 21:49:16 UTC 2014 - jungh...@votca.org
+
+- Upgrade to 1.2.4
+  * support for Boost 1.53
+  * drop votca-tools-1.2.3-boost-1.53.patch: merged upstream
+
+---

Old:

  votca-tools-1.2.3-boost-1.53.patch
  votca-tools-1.2.3_pristine.tar.gz

New:

  votca-tools-1.2.4_pristine.tar.gz



Other differences:
--
++ votca-tools.spec ++
--- /var/tmp/diff_new_pack.Jwyi0z/_old  2014-09-06 17:05:31.0 +0200
+++ /var/tmp/diff_new_pack.Jwyi0z/_new  2014-09-06 17:05:31.0 +0200
@@ -1,7 +1,7 @@
 #
 # votca_tools.spec
 #
-# Copyright (c) 2013 Christoph Junghans
+# Copyright (c) 2013-2014 Christoph Junghans jungh...@votca.org
 #
 # Originally written by Jussi Lehtola jussileht...@fedoraproject.org
 # Fixed for multi-distro build by Klaus Kaempf kkae...@suse.de
@@ -10,24 +10,27 @@
 #
 
 Name:   votca-tools
-Version:1.2.3
+Version:1.2.4
 Release:0
 Summary:VOTCA tools library
 Group:  Productivity/Scientific/Chemistry
 License:Apache-2.0
 URL:http://www.votca.org
-Source0:
http://votca.googlecode.com/files/%{name}-%{version}_pristine.tar.gz
-# PATCH-FIX-UPSTREAM votca-tools-1.2.3-boost-1.53.patch 
#https://code.google.com/p/votca/issues/detail?id=131
-Patch0: votca-tools-1.2.3-boost-1.53.patch
+Source0:
http://downloads.votca.googlecode.com/hg/%{name}-%{version}_pristine.tar.gz
 
 BuildRoot:  %{_tmppath}/%{name}-%{version}-build
 
 BuildRequires:  gcc-c++
+%if %{defined fedora}
+BuildRequires:  pkgconfig
+BuildRequires:  expat-devel
+%else
 BuildRequires:  pkg-config
+BuildRequires:  libexpat-devel
+%endif
 BuildRequires:  pkgconfig(sqlite3)
 BuildRequires:  pkgconfig(fftw3)
 BuildRequires:  pkgconfig(gsl)
-BuildRequires:  libexpat-devel
 BuildRequires:  boost-devel  = 1.39.0
 BuildRequires:  cmake
 BuildRequires:  txt2tags
@@ -62,13 +65,22 @@
 
 %prep
 %setup -q
-%patch0 -p1
 # Get rid of bundled versions of boost and expat
 rm -rf src/libboost
 rm -rf src/libexpat
 
 %build
-%{cmake} -DCMAKE_INSTALL_PREFIX=/usr \
+%if %{defined fedora}
+mkdir build
+cd build
+%endif
+%if %{undefined cmake}
+%define cmake cmake
+mkdir build
+cd build
+%endif
+%{cmake} \
+ -DCMAKE_INSTALL_PREFIX=%{_prefix} \
  -DWITH_RC_FILES=OFF \
  -DCMAKE_VERBOSE_MAKEFILE=TRUE \
  -DCMAKE_C_FLAGS_RELEASE:STRING=%{optflags} \
@@ -96,3 +108,5 @@
 %{_includedir}/votca/
 %{_libdir}/libvotca_tools.so
 %{_libdir}/pkgconfig/libvotca_tools.pc
+
+%changelog

++ votca-tools-1.2.3_pristine.tar.gz - votca-tools-1.2.4_pristine.tar.gz 
++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/votca-tools-1.2.3/CMakeLists.txt 
new/votca-tools-1.2.4/CMakeLists.txt
--- old/votca-tools-1.2.3/CMakeLists.txt2012-08-15 06:26:25.0 
+0200
+++ new/votca-tools-1.2.4/CMakeLists.txt2014-08-31 23:54:51.0 
+0200
@@ -2,7 +2,7 @@
 
 project(votca-tools)
 
-set(PROJECT_VERSION 1.2.3)
+set(PROJECT_VERSION 1.2.4)
 string(REGEX REPLACE ^[1-9]+\\.([1-9]+).*$ \\1 SOVERSION 
${PROJECT_VERSION})
 if (NOT ${SOVERSION} MATCHES [1-9]+)
   message(FATAL_ERROR Could not determind SOVERSION from ${PROJECT_VERSION})
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore' old/votca-tools-1.2.3/include/votca/tools/tokenizer.h 
new/votca-tools-1.2.4/include/votca/tools/tokenizer.h
--- old/votca-tools-1.2.3/include/votca/tools/tokenizer.h   2012-08-15 
06:26:25.0 +0200
+++ new/votca-tools-1.2.4/include/votca/tools/tokenizer.h   2014-08-31 
23:54:51.0 +0200
@@ -93,8 +93,10 @@
 std::vectorstd::string tmp;
 ToVector(tmp);
 v.resize(tmp.size());
-transform(tmp.begin(), tmp.end(), v.begin(),
-boost::lexical_castT, std::string);
+typename std::vectorT::iterator viter = v.begin();
+typename std::vectorstd::string::iterator iter;
+for(iter = tmp.begin(); iter!=tmp.end(); ++iter, ++viter)
+*viter = boost::lexical_castT, std::string(*iter);
 }
 
 private:
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' 
'--exclude=.svnignore'