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 00:05:08.000000000 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 2016-01-22 01:09:31.000000000 +0100
@@ -1,0 +2,6 @@
+Fri Jan 15 22:45:01 UTC 2016 - junghans@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 01:09:34.000000000 +0100
+++ /var/tmp/diff_new_pack.SDxLQm/_new 2016-01-22 01:09:34.000000000 +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 19:46:08.000000000 +0200
+++ new/tools-1.3/.travis.yml 2016-01-15 22:48:59.000000000 +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=10000 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=10000 TEST=propane/imc J=4
- - CSG_MDRUN_STEPS=500 TEST=spce/cma/density J=4
- - CSG_MDRUN_STEPS=500 TEST=spce/cma/simple J=4 GROMACS=yes
- - CSG_MDRUN_STEPS=500 TEST=spce/ibi J=4
- - CSG_MDRUN_STEPS=500 TEST=spce/ibi_pressure J=4
- - CSG_MDRUN_STEPS=10000 TEST=spce/imc J=4
- - CSG_MDRUN_STEPS=10000 TEST=spce/realtime J=4
- - CSG_MDRUN_STEPS=5000 TEST=spce/re J=4
- - CSG_MDRUN_STEPS=500 TEST=spce/simplex/density J=4
- - CSG_MDRUN_STEPS=500 TEST=spce/simplex/pressure J=4
- - CSG_MDRUN_STEPS=500 TEST=spce/simplex/simple J=4
- - CSG_MDRUN_STEPS=500 TEST=spce/tf J=4 GROMACS=yes
- - CSG_MDRUN_STEPS=500 TEST=urea-water/ibi J=4
- - CSG_MDRUN_STEPS=500 TEST=urea-water/kb-ibi J=4
-
-matrix:
- exclude:
- - compiler: clang
- env: J=1 #this test just tests the buildsystem
- - compiler: clang
- env: BDIR=build J=1 #just tests the buildsystem
+sudo: false
+
+addons:
+ apt:
+ sources: boost-latest
+ packages:
+ - cmake
+ - ccache
+ - libfftw3-dev
+ - libgsl0-dev
+ - txt2tags
+ - libboost1.55-all-dev
+ - libexpat1-dev
+ - libsqlite3-dev
+ - pkg-config
+ - pgf
+ - texlive-fonts-recommended
+ - texlive-latex-extra
+ - doxygen
+ - graphviz
+ - python-numpy
+ - gnuplot-nox
+ - octave
+ - gromacs-dev
+
+env:
+ global:
+ - GMX_MAX_THREADS=8
+ - CCACHE_CPP2=yes
+ matrix: #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++
+ - 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=10000 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=10000 TEST=propane/imc J=4
+ - CSG_MDRUN_STEPS=500 TEST=spce/cma/density J=4
+ - CSG_MDRUN_STEPS=500 TEST=spce/cma/simple J=4 GROMACS=yes
+ - CSG_MDRUN_STEPS=500 TEST=spce/ibi J=4
+ - CSG_MDRUN_STEPS=500 TEST=spce/ibi_pressure J=4
+ - CSG_MDRUN_STEPS=10000 TEST=spce/imc J=4
+ - CSG_MDRUN_STEPS=10000 TEST=spce/realtime J=4
+ - CSG_MDRUN_STEPS=5000 TEST=spce/re J=4
+ - CSG_MDRUN_STEPS=500 TEST=spce/simplex/density J=4
+ - CSG_MDRUN_STEPS=500 TEST=spce/simplex/pressure J=4
+ - CSG_MDRUN_STEPS=500 TEST=spce/simplex/simple J=4
+ - CSG_MDRUN_STEPS=500 TEST=spce/tf J=4 GROMACS=yes
+ - CSG_MDRUN_STEPS=500 TEST=urea-water/ibi J=4
+ - CSG_MDRUN_STEPS=500 TEST=urea-water/kb-ibi J=4
before_script:
- - rm -vrf * .git
- wget https://raw.githubusercontent.com/votca/buildutil/master/build.sh && chmod 755 build.sh
- - if [[ $TEST = *cma* ]]; then wget http://www.lri.fr/~hansen/cma.py; fi #we set PYTHONPATH="$PWD" below
+ - mkdir -p "$HOME/votca/src" "$HOME/votca/share/votca/scripts/inverse" "$HOME/bin"
+ - wget -O "$HOME/votca/share/votca/scripts/inverse/cma.py" http://www.lri.fr/~hansen/cma.py
+ - ln -s /usr/bin/ccache "$HOME/bin/clang++"
+ - ln -s /usr/bin/ccache "$HOME/bin/clang"
script:
- - PYTHONPATH="$PWD" ./build.sh -Wdu --prefix $PWD ${MAN:+--devdoc}
+ - PATH="$HOME/bin:/usr/lib/ccache:$PATH" ./build.sh -Wu --prefix "$HOME/votca" ${MAN:+--devdoc}
${TEST:+--runtest=$TEST} ${WERROR:+--warn-to-errors} ${MINIMAL:+--minimal}
${J:+-j$J} ${BDIR:+--builddir=$BDIR} ${NINJA:+--ninja} ${WALL:+--Wall}
+ --directory "$HOME/votca/src" --no-clean --depth 1 --gmx-release 4.6.7
tools ${GROMACS:+gromacs} csg csgapps ${MAN:+csg-manual} ${TEST:+csg-tutorials}
- ${CTP:+kmc moo ctp}
+ ${CTP:+kmc moo ctp} ${GROMACS:+-DGMX_USE_RDTSCP=OFF} ${GROMACS:+-DGROMACS_PKG_OVERWRITE=libgmx}
+
+cache:
+ directories:
+ - $HOME/.ccache
compiler:
- clang
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.3_rc1/CMakeLists.txt new/tools-1.3/CMakeLists.txt
--- old/tools-1.3_rc1/CMakeLists.txt 2015-09-23 19:46:08.000000000 +0200
+++ new/tools-1.3/CMakeLists.txt 2016-01-15 22:48:59.000000000 +0100
@@ -2,7 +2,7 @@
project(votca-tools)
-set(PROJECT_VERSION "1.3_rc1")
+set(PROJECT_VERSION "1.3")
string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION "${PROJECT_VERSION}")
if (NOT ${SOVERSION} MATCHES "[1-9]+")
message(FATAL_ERROR "Could not determind SOVERSION from ${PROJECT_VERSION}")