Changeset 425516


Ignore:
Timestamp:
Jul 20, 2018, 5:37:43 AM (6 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.6.1
Children:
a844d8
Parents:
209f4c
git-author:
Frederik Heber <frederik.heber@…> (07/06/18 09:33:09)
git-committer:
Frederik Heber <frederik.heber@…> (07/20/18 05:37:43)
Message:

Set version to 1.6.1.

  • MoleCuilder library is now 18:0:1.
  • Codename "Parthia" (Parthia waged war against Rome in 161 AD).
  • Added debian/changelog.
  • modified debian/rules as we need FC instead of F77.
  • added python-numpy to Build-Depends in debian/control.
Files:
4 edited

Legend:

Unmodified
Added
Removed

  • configure.ac

    r209f4c r425516  
    33
    44AC_PREREQ(2.59)
    5 AC_INIT(MoleCuilder, 1.6.0, [bug@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
     5AC_INIT(MoleCuilder, 1.6.1, [bug@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
    66AC_CONFIG_AUX_DIR([build-aux])
    77AC_CONFIG_SRCDIR([src/builder.cpp])
    … …  
    167167# refer to the libtool manual, section "Updating library version information":
    168168# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
    169 AC_SUBST([MOLECUILDER_SO_VERSION], [17:0:1])
    170 AC_SUBST([MOLECUILDER_API_VERSION], [1.6.0])
     169AC_SUBST([MOLECUILDER_SO_VERSION], [18:0:1])
     170AC_SUBST([MOLECUILDER_API_VERSION], [1.6.1])
    171171
    172172dnl this macro is used to get the arguments supplied

  • debian/changelog

    r209f4c r425516  
     1molecuilder (1.6.1-1) UNRELEASED; urgency=low
     2
     3  * Added ChemicalSpaceEvaluator Action to assess stability of all possible
     4    molecules that match a given Graph6 string using fragmentation method
     5    principles.
     6  * Python Interface supports (and recommends using) named parameters.
     7    Moreover, save-session will write scripts with named parameters.
     8  * GUI displays forces and velocities as additional vectors per atom.
     9  * AutomationFragmentationAction checks whether workers are still busy and
     10    aborts when all workers have crashed.
     11  * JobMarket: is now robust when worker or server is killed by signal.
     12  * JobMarket: Added GetNumbersOfWorkerOperation.
     13  * ForceAnnealing/StructreOptimization Action can now take the bond graph
     14    information into account and significantly speed up optimization up to a
     15    factor of 3.
     16  * added molecular dynamics and structure optimization integration tests.
     17  * FIX: recreated and fixed guicheck tests.
     18  * StretchBondAction now takes the bond graph into account.
     19  * Added examples test case with many ways of translation atoms, see blog
     20    post.
     21  * enhanced precision of tremolo format making it the recommended file format
     22    to use!
     23  * Tremolo file format now supports multiple time steps.
     24  * DOCU: Updated userguide on empirical potential using HomologyGraph.
     25  * Added SelectAtomByName action.
     26  * DOCU: several fixes to userguide.
     27  * FIX: GUI again reacts to WorldTime changes, i.e. time slider.
     28  * changed email address to sent bug reports to.
     29  * Added AtomRandomPerturbation to randomly displace atoms.
     30  * DOCU: explained wait() necessity in python scripts.
     31  * StepWorldTime now uses a single argument.
     32  * FIX: Status messages are now always pushed to log, even when logging is
     33    captured in GUI.
     34  * RotateToPAS has working undo/redo.
     35  * Added RotateAroundBond action for rotating molecule around specific bond.
     36  * Added very powerful GeometryObjects to use as any vector object or for
     37    simply measuring distances and angles in the GUI.
     38  * CodePatterns, fix: Chronos is thread-safe, and protecting Verbosity.
     39  * fixes: regression tests ports between 11024 and 19999.
     40  * builds on Ubuntu 16.04
     41  * MemDebug is now disabled by default.
     42
     43 -- Frederik Heber <heber@molecuilder.com>  Fri, 02 Mar 2017 23:45:24 +0100
     44
    145molecuilder (1.6.0-1) UNRELEASED; urgency=low
    246

  • debian/control

    r209f4c r425516  
    88 libboost-graph-dev (>=1.46), libboost-system-dev (>=1.46),
    99 libboost-filesystem-dev (>=1.46), libboost-iostreams-dev (>=1.46),
    10  libboost-python-dev (>=1.46), python (>=2.7), python-dev (>=2.7), libgsl0-dev,
    11  liblapack-dev (>= 3.3.1), units, libcppunit-dev (>=1.12),
    12  libqt4-dev (>=4.8.5), libqt4-3d-dev (>=1.0), libqwt5-qt4-dev (>=5.2.2),
    13  doxygen (>=1.7.6), graphviz (>= 2.26.3)
     10 libboost-python-dev (>=1.46), python (>=2.7), python-dev (>=2.7),
     11 python-numpy, libgsl0-dev, liblapack-dev (>= 3.3.1), units,
     12 libcppunit-dev (>=1.12), libqt4-dev (>=4.8.5), libqt4-3d-dev (>=1.0),
     13 libqwt5-qt4-dev (>=5.2.2), doxygen (>=1.7.6), graphviz (>= 2.26.3)
    1414Build-Conflicts: autoconf2.13, automake1.4
    1515Standards-Version: 3.9.3

  • debian/rules

    r209f4c r425516  
    44include /usr/share/cdbs/1/class/autotools.mk
    55
    6 DEB_CONFIGURE_EXTRA_FLAGS += --disable-debug --disable-valgrind --enable-qtgui-capture-log --enable-action-thread --enable-jobmarket --enable-vmg --with-vmg-mpi --enable-python --enable-qtgui --enable-qwt --enable-levmar --with-default-parallel=none CXX='mpic++' CC='mpicc' F77='mpif77' --with-Qt-bin=/usr/share/qt4/bin --with-qwt-include=/usr/include/qwt-qt4 --with-qwt-libdir=/usr/lib --enable-production
     6DEB_CONFIGURE_EXTRA_FLAGS += --disable-debug --disable-valgrind --enable-qtgui-capture-log --enable-action-thread --enable-jobmarket --enable-vmg --with-vmg-mpi --enable-python --enable-qtgui --enable-qwt --enable-levmar --with-default-parallel=none CXX='mpic++' CC='mpicc' FC='mpif90' --with-Qt-bin=/usr/share/qt4/bin --with-qwt-include=/usr/include/qwt-qt4 --with-qwt-libdir=/usr/lib --enable-production
    77
    88DEB_MAKE_CHECK_TARGET = check
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