commit votca-xtp for openSUSE:Factory
Hello community,
here is the log from the commit of package votca-xtp for openSUSE:Factory
checked in at 2020-08-25 09:36:12
Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old)
and /work/SRC/openSUSE:Factory/.votca-xtp.new.3399 (New)
Package is "votca-xtp"
Tue Aug 25 09:36:12 2020 rev:6 rq:828955 version:1.6.2
Changes:
--- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2020-08-21
19:05:45.232412408 +0200
+++ /work/SRC/openSUSE:Factory/.votca-xtp.new.3399/votca-xtp.changes
2020-08-25 09:37:19.704160773 +0200
@@ -1,0 +2,9 @@
+Sat Aug 22 18:59:23 UTC 2020 - Christoph Junghans
+
+- Update to 1.6.2
+ - move CI to GitHub Actions ([gh#votca/xtp#512],
+[gh#votca/xtp#514], [gh#votca/xtp#516], [gh#votca/xtp#519])
+ - add more checks to the dft_parse_part ([gh#votca/xtp#521])
+ - make unit tests work in parallel ([gh#votca/xtp#530])
+
+---
Old:
votca-xtp-1.6.1.tar.gz
New:
votca-xtp-1.6.2.tar.gz
Other differences:
--
++ votca-xtp.spec ++
--- /var/tmp/diff_new_pack.nCI4Tr/_old 2020-08-25 09:37:21.128161604 +0200
+++ /var/tmp/diff_new_pack.nCI4Tr/_new 2020-08-25 09:37:21.132161607 +0200
@@ -18,7 +18,7 @@
Name: votca-xtp
-Version:1.6.1
+Version:1.6.2
Release:0
%define uversion %{version}
%define sover 6
++ votca-xtp-1.6.1.tar.gz -> votca-xtp-1.6.2.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn'
'--exclude=.svnignore' old/xtp-1.6.1/.github/workflows/changelog.yml
new/xtp-1.6.2/.github/workflows/changelog.yml
--- old/xtp-1.6.1/.github/workflows/changelog.yml 1970-01-01
01:00:00.0 +0100
+++ new/xtp-1.6.2/.github/workflows/changelog.yml 2020-08-22
15:31:18.0 +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/xtp-1.6.1/.github/workflows/continuous-integration-workflow.yml
new/xtp-1.6.2/.github/workflows/continuous-integration-workflow.yml
--- old/xtp-1.6.1/.github/workflows/continuous-integration-workflow.yml
1970-01-01 01:00:00.0 +0100
+++ new/xtp-1.6.2/.github/workflows/continuous-integration-workflow.yml
2020-08-22 15:31:18.0 +0200
@@ -0,0 +1,75 @@
+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]
+no_regression_testing: [true]
+include:
+ - distro: latest
+toolchain: gnu
+cmake_build_type: Release
+module_build: true
+no_regression_testing: true
+runs-on: ubuntu-latest
+
commit votca-xtp for openSUSE:Factory
Hello community,
here is the log from the commit of package votca-xtp for openSUSE:Factory
checked in at 2020-08-21 19:04:55
Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old)
and /work/SRC/openSUSE:Factory/.votca-xtp.new.3399 (New)
Package is "votca-xtp"
Fri Aug 21 19:04:55 2020 rev:5 rq:828266 version:1.6.1
Changes:
--- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2020-06-23
21:05:53.482093619 +0200
+++ /work/SRC/openSUSE:Factory/.votca-xtp.new.3399/votca-xtp.changes
2020-08-21 19:05:45.232412408 +0200
@@ -1,0 +2,5 @@
+Thu Aug 20 09:09:23 UTC 2020 - Martin Liška
+
+- Use memoryperjob constraint instead of %limit_build macro.
+
+---
Other differences:
--
++ votca-xtp.spec ++
--- /var/tmp/diff_new_pack.vbVbsY/_old 2020-08-21 19:05:47.108413522 +0200
+++ /var/tmp/diff_new_pack.vbVbsY/_new 2020-08-21 19:05:47.108413522 +0200
@@ -44,7 +44,6 @@
BuildRequires: pkg-config
BuildRequires: votca-csg-devel = %{version}
# for hdf5
-BuildRequires: memory-constraints
BuildRequires: zlib-devel
#exact same version is needed
@@ -109,7 +108,6 @@
%build
%{cmake} -DCMAKE_SKIP_RPATH:BOOL=OFF -DLIB=%{_lib} -DBUILD_MANPAGES=ON
-DENABLE_TESTING=ON
-%limit_build -m 2000
%cmake_build
%install
++ _constraints ++
--- /var/tmp/diff_new_pack.vbVbsY/_old 2020-08-21 19:05:47.136413539 +0200
+++ /var/tmp/diff_new_pack.vbVbsY/_new 2020-08-21 19:05:47.136413539 +0200
@@ -1,9 +1,12 @@
-
+
4
+
+ 2000
+
kvm
commit votca-xtp for openSUSE:Factory
Hello community,
here is the log from the commit of package votca-xtp for openSUSE:Factory
checked in at 2020-06-23 21:05:35
Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old)
and /work/SRC/openSUSE:Factory/.votca-xtp.new.2956 (New)
Package is "votca-xtp"
Tue Jun 23 21:05:35 2020 rev:4 rq:816423 version:1.6.1
Changes:
--- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2020-06-15
20:27:24.445729319 +0200
+++ /work/SRC/openSUSE:Factory/.votca-xtp.new.2956/votca-xtp.changes
2020-06-23 21:05:53.482093619 +0200
@@ -1,0 +2,8 @@
+Mon Jun 22 12:27:47 UTC 2020 - Christoph Junghans
+
+- Update to 1.6.1
+ - fix warnings on Ubuntu 20.04 ([gh#votca/xtp#438],
+[gh#votca/xtp#460])
+ - remove obsolete boost define ([gh#votca/xtp#440])
+
+---
Old:
votca-xtp-1.6.tar.gz
New:
votca-xtp-1.6.1.tar.gz
Other differences:
--
++ votca-xtp.spec ++
--- /var/tmp/diff_new_pack.NIt6Ov/_old 2020-06-23 21:05:54.042095429 +0200
+++ /var/tmp/diff_new_pack.NIt6Ov/_new 2020-06-23 21:05:54.046095441 +0200
@@ -18,7 +18,7 @@
Name: votca-xtp
-Version:1.6
+Version:1.6.1
Release:0
%define uversion %{version}
%define sover 6
++ votca-xtp-1.6.tar.gz -> votca-xtp-1.6.1.tar.gz ++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn'
'--exclude=.svnignore' old/xtp-1.6/CHANGELOG.md new/xtp-1.6.1/CHANGELOG.md
--- old/xtp-1.6/CHANGELOG.md2020-04-18 05:01:30.0 +0200
+++ new/xtp-1.6.1/CHANGELOG.md 2020-06-21 15:20:24.0 +0200
@@ -1,6 +1,10 @@
For more detailed information about the changes see the history of the
[repository](https://github.com/votca/xtp/commits/master).
+## Version 1.6.1 (released 21.06.20)
+* fix warnings on Ubuntu 20.04 (#438, #460)
+* remove obsolete boost define (#440)
+
## Version 1.6 _SuperPelagia_ (released 17.04.20)
* fix 32-bit build (#381, #380)
* remove duplicated basissets (#384, #386, #387)
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn'
'--exclude=.svnignore' old/xtp-1.6/CMakeLists.txt new/xtp-1.6.1/CMakeLists.txt
--- old/xtp-1.6/CMakeLists.txt 2020-04-18 05:01:30.0 +0200
+++ new/xtp-1.6.1/CMakeLists.txt2020-06-21 15:20:24.0 +0200
@@ -2,7 +2,7 @@
project(votca-xtp)
-set(PROJECT_VERSION "1.6")
+set(PROJECT_VERSION "1.6.1")
set(PROJECT_CONTACT "b...@votca.org")
string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION
"${PROJECT_VERSION}")
if (NOT ${SOVERSION} MATCHES "[1-9]+")
@@ -18,8 +18,6 @@
endif(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
if(CMAKE_BUILD_TYPE STREQUAL Debug)
add_definitions(-DDEBUG)
-elseif(CMAKE_BUILD_TYPE STREQUAL Release)
- add_definitions(-DBOOST_UBLAS_NDEBUG)
endif()
enable_language(CXX)
@@ -47,10 +45,18 @@
find_package(LIBXC REQUIRED)
find_package(HDF5 1.8 REQUIRED COMPONENTS CXX)
-if (${HDF5_VERSION} GREATER 1.8)
+if(HDF5_VERSION VERSION_GREATER 1.8)
message(WARNING "HDF5 will be used such that it is compatible with version
1.8.")
endif()
+# https://github.com/votca/xtp/issues/436, hdf5-1.10.4 generates a
implicitly-declared operator warning
+if(HDF5_VERSION VERSION_GREATER_EQUAL 1.10.4 AND HDF5_VERSION
VERSION_LESS_EQUAL 1.10.6)
+ include(CheckCXXCompilerFlag)
+ check_cxx_compiler_flag("-Wno-deprecated-copy"
COMPILER_SUPPORTS_WNO_DEPRECATED_COPY)
+ if(COMPILER_SUPPORTS_WNO_DEPRECATED_COPY)
+set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wno-deprecated-copy")
+ endif()
+endif()
option(BUILD_SHARED_LIBS "Build shared libs" ON)
include(GNUInstallDirs)
commit votca-xtp for openSUSE:Factory
Hello community,
here is the log from the commit of package votca-xtp for openSUSE:Factory
checked in at 2020-06-15 20:27:19
Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old)
and /work/SRC/openSUSE:Factory/.votca-xtp.new.3606 (New)
Package is "votca-xtp"
Mon Jun 15 20:27:19 2020 rev:3 rq:796690 version:1.6
Changes:
--- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2019-11-30
10:39:21.184157980 +0100
+++ /work/SRC/openSUSE:Factory/.votca-xtp.new.3606/votca-xtp.changes
2020-06-15 20:27:24.445729319 +0200
@@ -1,0 +2,49 @@
+Sat Apr 18 04:58:29 UTC 2020 - Christoph Junghans
+
+- Update to 1.6
+ - fix 32-bit build ([gh#votca/xtp#381], [gh#votca/xtp#380])
+ - remove duplicated basissets ([gh#votca/xtp#384],
+[gh#votca/xtp#386], [gh#votca/xtp#387])
+ - fix clang-10 warnings ([gh#votca/xtp#394])
+ - fix unit_test_eeinteractor on OpenSUSE ([gh#votca/xtp#341],
+[gh#votca/xtp#428])
+- Drop doc package, upstream remove manual
+
+---
+Mon Feb 10 17:27:05 UTC 2020 - Christoph Junghans
+
+- Update to 1.6_rc2
+ - fix remove giant logo from tarball ([gh#votca/xtp#337])
+ - fix assertions related to GLIBCXX_ASSERTIONS
+([gh#votca/xtp#345])
+ - remove unused boost serialisation ([gh#votca/xtp#346])
+ - fix build on 32-bit archs ([gh#votca/xtp#347])
+ - add ENABLE_HIGH_MEMORY_TESTS cmake option ([gh#votca/xtp#356])
+ - fix copyright ([gh#votca/xtp#363])
+ - remove old doxygen target ([gh#votca/xtp#365])
+ - fix some gcc10 warnings ([gh#votca/xtp#376])
+ - Add external fields to dft calculations ([gh#votca/xtp#351],
+[gh#votca/xtp#353])
+ - added def2 and cc basis sets ([gh#votca/xtp#355])
+ - added apdft ([gh#votca/xtp#350])
+ - added test to cubefile reader ([gh#votca/xtp#344])
+ - fix state tracker ([gh#votca/xtp#333])
+ - grid class refator ([gh#votca/xtp#335])
+ - changed ppm screening ([gh#votca/xtp#371])
+
+---
+Thu Dec 5 17:24:22 UTC 2019 - Christoph Junghans
+
+- Update to 1.6_rc1
+ - completely new statefile in hdf5 format for larger systems
+ - new electrostatics with PCG solver
+ - new QM/MM engine with freely configurable regions
+ - exact GW-BSE for small systems
+ - new iterative matrix solvers for large systems
+ - full LAMMPS support
+ - improved testing
+ - deleted netbeans support
+ - removed old manual
+ - Major CMake refactor
+
+---
Old:
votca-xtp-1.5.1.tar.gz
votca-xtp-manual-1.5.1.pdf
New:
_constraints
votca-xtp-1.6.tar.gz
Other differences:
--
++ votca-xtp.spec ++
--- /var/tmp/diff_new_pack.3nYpBl/_old 2020-06-15 20:27:25.901734363 +0200
+++ /var/tmp/diff_new_pack.3nYpBl/_new 2020-06-15 20:27:25.905734377 +0200
@@ -1,8 +1,8 @@
#
# spec file for package votca-xtp
#
-# Copyright (c) 2016-2017 SUSE LINUX GmbH, Nuernberg, Germany.
-# Copyright (c) 2018-2019 Christoph Junghans
+# Copyright (c) 2020 SUSE LLC
+# Copyright (c) 2018-2020 Christoph Junghans
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -13,49 +13,47 @@
# 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/
+# Please submit bugfixes or comments via https://bugs.opensuse.org/
#
Name: votca-xtp
-Version:1.5.1
-%define uversion %{version}
-%define sover 5
+Version:1.6
Release:0
+%define uversion %{version}
+%define sover 6
Summary:VOTCA excitation and charge properties module
License:Apache-2.0
Group: Productivity/Scientific/Chemistry
-Url:http://www.votca.org
+URL:http://www.votca.org
Source0:
https://github.com/votca/xtp/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
-Source1:
https://github.com/votca/xtp/releases/download/v%{uversion}/votca-xtp-manual-%{uversion}.pdf
BuildRoot: %{_tmppath}/%{name}-%{version}-build
+BuildRequires: cmake >= 2.8.4
+BuildRequires: fdupes
BuildRequires: gcc-c++
-BuildRequires: pkg-config
-%if 0%{?suse_version} > 1325
+BuildRequires: hdf5-devel
+BuildRequires: libboost_filesystem-devel >= 1.48.0
BuildRequires: libboost_program_options-devel >= 1.48.0
BuildRequires: libboost_serialization-devel >= 1.48.0
-BuildRequires: libboost_filesystem-devel >= 1.48.0
BuildRequires: libboost_system-devel >= 1.48.0
-BuildRequires: libboost_timer-devel >= 1.48.0
BuildRequires:
commit votca-xtp for openSUSE:Factory
Hello community,
here is the log from the commit of package votca-xtp for openSUSE:Factory
checked in at 2019-11-30 10:37:44
Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old)
and /work/SRC/openSUSE:Factory/.votca-xtp.new.26869 (New)
Package is "votca-xtp"
Sat Nov 30 10:37:44 2019 rev:2 rq:751378 version:1.5.1
Changes:
--- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2019-02-28
21:38:33.465637272 +0100
+++ /work/SRC/openSUSE:Factory/.votca-xtp.new.26869/votca-xtp.changes
2019-11-30 10:39:21.184157980 +0100
@@ -1,0 +2,13 @@
+Wed Nov 27 15:11:27 UTC 2019 - Christoph Junghans
+
+- Fix python shebang
+
+---
+Thu Nov 21 15:11:49 UTC 2019 - Christoph Junghans
+
+- Upgrade to 1.5.1
+ * remove exit() calls in the library
+ * fix build on CentOs7
+ * Details: https://github.com/votca/xtp/blob/stable/CHANGELOG.md
+
+---
Old:
votca-xtp-1.5.tar.gz
votca-xtp-manual-1.5.pdf
New:
votca-xtp-1.5.1.tar.gz
votca-xtp-manual-1.5.1.pdf
Other differences:
--
++ votca-xtp.spec ++
--- /var/tmp/diff_new_pack.CAthDB/_old 2019-11-30 10:39:23.392157714 +0100
+++ /var/tmp/diff_new_pack.CAthDB/_new 2019-11-30 10:39:23.420157711 +0100
@@ -18,7 +18,7 @@
Name: votca-xtp
-Version:1.5
+Version:1.5.1
%define uversion %{version}
%define sover 5
Release:0
@@ -130,7 +130,7 @@
%install
make -C build install DESTDIR=%{buildroot}
-sed -i -e '1s@env python@python2@' %{buildroot}/%{_bindir}/xtp_*
+sed -i -e '1s@env @@' %{buildroot}/%{_bindir}/xtp_*
%define pkgdocdir %{_docdir}/%{name}
mkdir -p %{buildroot}%{pkgdocdir}
++ votca-xtp-1.5.tar.gz -> votca-xtp-1.5.1.tar.gz ++
/work/SRC/openSUSE:Factory/votca-xtp/votca-xtp-1.5.tar.gz
/work/SRC/openSUSE:Factory/.votca-xtp.new.26869/votca-xtp-1.5.1.tar.gz differ:
char 12, line 1
++ votca-xtp-manual-1.5.pdf -> votca-xtp-manual-1.5.1.pdf ++
(binary differes)
commit votca-xtp for openSUSE:Factory
Hello community,
here is the log from the commit of package votca-xtp for openSUSE:Factory
checked in at 2017-10-13 14:20:34
Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old)
and /work/SRC/openSUSE:Factory/.votca-xtp.new (New)
Package is "votca-xtp"
Fri Oct 13 14:20:34 2017 rev:3 rq:533780 version:1.4.1
Changes:
--- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2017-09-04
12:39:22.517741926 +0200
+++ /work/SRC/openSUSE:Factory/.votca-xtp.new/votca-xtp.changes 2017-10-13
14:21:01.895186026 +0200
@@ -1,0 +2,10 @@
+Thu Oct 12 22:13:47 UTC 2017 - jungh...@votca.org
+
+- Add 55.patch to fix compile with gcc-7
+
+---
+Wed Oct 11 16:11:14 UTC 2017 - jungh...@votca.org
+
+- split boost-devel into libboost-* (bug #1062801)
+
+---
New:
55.patch
Other differences:
--
++ votca-xtp.spec ++
--- /var/tmp/diff_new_pack.zgiTPx/_old 2017-10-13 14:21:02.935140302 +0200
+++ /var/tmp/diff_new_pack.zgiTPx/_new 2017-10-13 14:21:02.935140302 +0200
@@ -26,12 +26,22 @@
Url:http://www.votca.org
Source0:
https://github.com/votca/xtp/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
Source1:
https://github.com/votca/xtp/releases/download/v%{uversion}/votca-xtp-manual-%{uversion}.pdf
+# PATCH-FIX-UPSTREAM - 55.patch - fix compile with gcc-7
+Patch0: https://github.com/votca/xtp/pull/55.patch
BuildRoot: %{_tmppath}/%{name}-%{version}-build
BuildRequires: gcc-c++
BuildRequires: pkg-config
+%if 0%{?suse_version} > 1325
+BuildRequires: libboost_program_options-devel >= 1.48.0
+BuildRequires: libboost_serialization-devel >= 1.48.0
+BuildRequires: libboost_filesystem-devel >= 1.48.0
+BuildRequires: libboost_system-devel >= 1.48.0
+BuildRequires: libboost_timer-devel >= 1.48.0
+%else
BuildRequires: boost-devel >= 1.39.0
+%endif
BuildRequires: cmake >= 2.8.4
BuildRequires: fdupes
BuildRequires: pkgconfig(libvotca_csg) = %{version}
@@ -65,7 +75,6 @@
Requires: libvotca_xtp4 = %{version}
Requires: %{name} = %{version}
Requires: votca-csg-devel = %{version}
-Provides: pkgconfig(libvotca_xtp) = %{version}
%description devel
Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
@@ -101,6 +110,7 @@
%prep
%setup -n xtp-%{uversion} -q
+%patch0 -p1
FAKE_BUILDDATE=$(LC_ALL=C date -u -r %{_sourcedir}/%{name}.changes '+%%b %%e
%%Y')
FAKE_BUILDTIME=$(LC_ALL=C date -u -r %{_sourcedir}/%{name}.changes
'+%%H:%%M:%%S')
@@ -121,7 +131,6 @@
cp %{S:1} %{buildroot}%{pkgdocdir}
%fdupes %{buildroot}%{_prefix}
-cat %{buildroot}%{_libdir}/pkgconfig/libvotca_xtp.pc
%post -n libvotca_xtp4 -p /sbin/ldconfig
%postun -n libvotca_xtp4 -p /sbin/ldconfig
++ 55.patch ++
>From f7c2c4cc7c3a7b6771a3da43f6f39529e4f55043 Mon Sep 17 00:00:00 2001
From: Christoph Junghans
Date: Thu, 12 Oct 2017 16:11:36 -0600
Subject: [PATCH] gaussian: fix compile with gcc-7
---
src/libxtp/qmpackages/gaussian.cc | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/libxtp/qmpackages/gaussian.cc
b/src/libxtp/qmpackages/gaussian.cc
index 1d63443d..530d39d3 100644
--- a/src/libxtp/qmpackages/gaussian.cc
+++ b/src/libxtp/qmpackages/gaussian.cc
@@ -1147,7 +1147,7 @@ namespace votca {
boost::iter_split(stringList, archive,
boost::first_finder(""));
list::iterator coord_block =
stringList.begin();
-advance(coord_block, 3);
+std::advance(coord_block, 3);
std::vector atom_block;
boost::algorithm::split(atom_block, *coord_block,
boost::is_any_of("\\"), boost::algorithm::token_compress_on);
@@ -1181,7 +1181,7 @@ namespace votca {
}
// get the QM energy out
-advance(coord_block, 1);
+std::advance(coord_block, 1);
std::vector block;
std::vector energy;
boost::algorithm::split(block, *coord_block,
boost::is_any_of("\\"), boost::algorithm::token_compress_on);
commit votca-xtp for openSUSE:Factory
Hello community, here is the log from the commit of package votca-xtp for openSUSE:Factory checked in at 2017-09-04 12:39:20 Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old) and /work/SRC/openSUSE:Factory/.votca-xtp.new (New) Package is "votca-xtp" Mon Sep 4 12:39:20 2017 rev:2 rq:520515 version:1.4.1 Changes: --- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2017-02-03 20:04:48.916829215 +0100 +++ /work/SRC/openSUSE:Factory/.votca-xtp.new/votca-xtp.changes 2017-09-04 12:39:22.517741926 +0200 @@ -1,0 +2,7 @@ +Sun Sep 3 13:33:35 UTC 2017 - jungh...@votca.org + +- Upgrade to 1.4.1 + * fix pkg-config file + * Details: https://github.com/votca/xtp/blob/master/CHANGELOG.md + +--- Old: votca-xtp-1.4.tar.gz votca-xtp-manual-1.4.pdf New: votca-xtp-1.4.1.tar.gz votca-xtp-manual-1.4.1.pdf Other differences: -- ++ votca-xtp.spec ++ --- /var/tmp/diff_new_pack.idHmuf/_old 2017-09-04 12:39:23.725571995 +0200 +++ /var/tmp/diff_new_pack.idHmuf/_new 2017-09-04 12:39:23.729571432 +0200 @@ -2,7 +2,6 @@ # spec file for package votca-xtp # # Copyright (c) 2016-2017 SUSE LINUX GmbH, Nuernberg, Germany. -# Copyright (c) 2016 Christoph Junghans # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -18,8 +17,8 @@ Name: votca-xtp -Version:1.4 -%define uversion 1.4 +Version:1.4.1 +%define uversion 1.4.1 Release:0 Summary:VOTCA excitation and charge properties module License:Apache-2.0 ++ votca-xtp-1.4.tar.gz -> votca-xtp-1.4.1.tar.gz ++ /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp-1.4.tar.gz /work/SRC/openSUSE:Factory/.votca-xtp.new/votca-xtp-1.4.1.tar.gz differ: char 12, line 1 ++ votca-xtp-manual-1.4.pdf -> votca-xtp-manual-1.4.1.pdf ++ (binary differes)
