Overview
Request 670460 accepted
- Upgrade to 1.5
* fix parallel build of manual
* fix usage on inkscape on arm arch
* clean up namespace in header
* optimized GW-BSE code and integral engine
* added closed shell DFT code which supports hybrid functionals
* removed ctp dependency
* atm no support for site energy calculation
* CHELPG fit for ground and excited states
* merged igwbse and idft into one calculator
* added unit and integration test
* improved geometry optimiser
* replaced ublas with Eigen3
* replaced boost serialisation with hdf5 files
* Details: https://github.com/votca/xtp/blob/stable/CHANGELOG.md
- Drop 55.patch, merged upstream
- Add 55.patch to fix compile with gcc-7
- split boost-devel into libboost-* (bug #1062801)
- Upgrade to 1.4.1
* fix pkg-config file
* Details: https://github.com/votca/xtp/blob/master/CHANGELOG.md
- Implemeted suggestions from Request #437970
- Update summaries and descriptions
- Upgrade to 1.4
* dropped merged patch, for cmake underlinking and boost-1.62
* fixed a bug in gwbse
* Details: https://github.com/votca/xtp/blob/master/CHANGELOG.md
- Added patch from upstream to support boost-1.62
- Initial import of version 1.4_rc1
Request History
cjunghans created request
- Upgrade to 1.5
* fix parallel build of manual
* fix usage on inkscape on arm arch
* clean up namespace in header
* optimized GW-BSE code and integral engine
* added closed shell DFT code which supports hybrid functionals
* removed ctp dependency
* atm no support for site energy calculation
* CHELPG fit for ground and excited states
* merged igwbse and idft into one calculator
* added unit and integration test
* improved geometry optimiser
* replaced ublas with Eigen3
* replaced boost serialisation with hdf5 files
* Details: https://github.com/votca/xtp/blob/stable/CHANGELOG.md
- Drop 55.patch, merged upstream
- Add 55.patch to fix compile with gcc-7
- split boost-devel into libboost-* (bug #1062801)
- Upgrade to 1.4.1
* fix pkg-config file
* Details: https://github.com/votca/xtp/blob/master/CHANGELOG.md
- Implemeted suggestions from Request #437970
- Update summaries and descriptions
- Upgrade to 1.4
* dropped merged patch, for cmake underlinking and boost-1.62
* fixed a bug in gwbse
* Details: https://github.com/votca/xtp/blob/master/CHANGELOG.md
- Added patch from upstream to support boost-1.62
- Initial import of version 1.4_rc1
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namtrac accepted review
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coolo accepted request
Accept to openSUSE:Factory
@cjunghans votca-xtp has the same description as votca-ctp, but there has to be a difference (well one is Ctp, the other Xtp, and those acronyms have to mean something...)
CTP = charge transport, XTP = exciton transport.
I fixed the summary of the votca-ctp
ping @namtrac!
BTW, this package was in openSUSE before, but got removed due to FTBS.
“namtrac Review got accepted 2 days ago”