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Author SHA256 Message Date
Klaus Kämpf
8124839254 Accepting request 1046312 from home:cjunghans:branches:science 
- don't use mpi gromacs on ix86

OBS-URL: https://build.opensuse.org/request/show/1046312
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=15
 2023-01-03 12:25:05 +00:00
Christoph Junghans
fb13f5687e Accepting request 1044655 from home:Guillaume_G:branches:openSUSE:Factory:ARM 
- Update to 2022.1
  - fix PROJECT_VERSION in subdirs ([gh#votca/votca#951])
  - make csg_resample and csg_stat spacing consistent
    ([gh#votca/votca#956])
  - fix build on FreeBSD ([gh#votca/votca#959])
  - update CI container names ([gh#votca/votca#961])
  - Fix gw quadrature scheme ([gh#votca/votca#967])
  - update install guide for spack ([gh#votca/votca#972],
    [gh#votca/votca#974])
  - drop gmx-2021 builds from CI ([gh#votca/votca#976])
  - update syntax for cmake 3.23 ([gh#votca/votca#978])
  - fix CI build on Ubuntu ([gh#votca/votca#981])
  - fix CI builds with icpx ([gh#votca/votca#984],
    [gh#votca/votca#1004])
  - fix CI builds with ESPResSo 4.2.0 ([gh#votca/votca#993])
  - fix localization issue ([gh#votca/votca#998],
    [gh#votca/votca#1000])
  - update github actions to new versions ([gh#votca/votca#1007],
    [gh#votca/votca#1013]) 
- Disable gromacs on 32-bit arm since it is missing
- Do not requires libint when xtp is disabled
- Adjust constraints to avoid rejecting too many workers, enable
  parallel builds with limit_build.
- Clean up specfile, remove obsolete __DATE__ mangling.
- only use python3-epressomd for testing on x86_64
- Update to 2022
  - fix some icpc warnings ([gh#votca/votca#934])
  - only check for pytest if testing is enabled
    ([gh#votca/votca#930])
  - exclude some builds from CI ([gh#votca/votca#940],
    [gh#votca/votca#942], [gh#votca/votca#944],
    [gh#votca/votca#945])
  - update interface documentation ([gh#votca/votca#939])
  - update install guide for binary packages
    ([gh#votca/votca#936])
  - fixed sigma plot options passing ([gh#votca/votca#943]) 
- Also obsoletes votca-csg-apps
- Update to 2022-rc.2
  - fix iqm merge orbitals command ([gh#votca/votca#907])
  - fix bug in basisset serialization that caused wrong Vxc values
    in GW ([gh#votca/votca#910])
  - update performance compilation info ([gh#votca/votca#911])
  - license for monorepo and all license files rst -> plain text
    ([gh#votca/votca#912], [gh#votca/votca#913])
  - use python3 in xtp-tutorials ([gh#votca/votca#917])
  - bump required boost version to 1.71 ([gh#votca/votca#915],
    [gh#votca/votca#916])
  - clean up NOTICE files ([gh#votca/votca#919])
  - rm PYTHON_INSTDIR from VOTCARC ([gh#votca/votca#924])
  - update citation in xtp README ([gh#votca/votca#925])
  - fix install permission of tutorials ([gh#votca/votca#926])- 
- Merge votca-{tools,csg,xtp} into one package

OBS-URL: https://build.opensuse.org/request/show/1044655
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=13
 2022-12-24 14:49:56 +00:00
Klaus Kämpf
1c0c74e80d Accepting request 1044134 from home:cjunghans:branches:science 
- Update to 2022.1
  - fix PROJECT_VERSION in subdirs ([gh#votca/votca#951])
  - make csg_resample and csg_stat spacing consistent
    ([gh#votca/votca#956])
  - fix build on FreeBSD ([gh#votca/votca#959])
  - update CI container names ([gh#votca/votca#961])
  - Fix gw quadrature scheme ([gh#votca/votca#967])
  - update install guide for spack ([gh#votca/votca#972],
    [gh#votca/votca#974])
  - drop gmx-2021 builds from CI ([gh#votca/votca#976])
  - update syntax for cmake 3.23 ([gh#votca/votca#978])
  - fix CI build on Ubuntu ([gh#votca/votca#981])
  - fix CI builds with icpx ([gh#votca/votca#984],
    [gh#votca/votca#1004])
  - fix CI builds with ESPResSo 4.2.0 ([gh#votca/votca#993])
  - fix localization issue ([gh#votca/votca#998],
    [gh#votca/votca#1000])
  - update github actions to new versions ([gh#votca/votca#1007],
    [gh#votca/votca#1013])

OBS-URL: https://build.opensuse.org/request/show/1044134
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=11
 2022-12-22 08:39:40 +00:00
Christoph Junghans
68baf53c4f Accepting request 1040859 from home:StefanBruens:branches:science 
- Adjust constraints to avoid rejecting too many workers, enable
  parallel builds with limit_build.
- Clean up specfile, remove obsolete __DATE__ mangling.

OBS-URL: https://build.opensuse.org/request/show/1040859
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=9
 2022-12-07 23:32:15 +00:00
Christoph Junghans
1bb731a58e OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=7 2022-07-29 05:25:05 +00:00
Christoph Junghans
3be99245f9 OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=6 2022-07-29 05:23:44 +00:00
Christoph Junghans
0eec135b39 Accepting request 946726 from home:cjunghans:branches:science 
- Update to 2022
  - fix some icpc warnings ([gh#votca/votca#934])
  - only check for pytest if testing is enabled
    ([gh#votca/votca#930])
  - exclude some builds from CI ([gh#votca/votca#940],
    [gh#votca/votca#942], [gh#votca/votca#944],
    [gh#votca/votca#945])
  - update interface documentation ([gh#votca/votca#939])
  - update install guide for binary packages
    ([gh#votca/votca#936])
  - fixed sigma plot options passing ([gh#votca/votca#943]) 
- Also obsoletes votca-csg-apps
- Update to 2022-rc.2
  - fix iqm merge orbitals command ([gh#votca/votca#907])
  - fix bug in basisset serialization that caused wrong Vxc values
    in GW ([gh#votca/votca#910])
  - update performance compilation info ([gh#votca/votca#911])
  - license for monorepo and all license files rst -> plain text
    ([gh#votca/votca#912], [gh#votca/votca#913])
  - use python3 in xtp-tutorials ([gh#votca/votca#917])
  - bump required boost version to 1.71 ([gh#votca/votca#915],
    [gh#votca/votca#916])
  - clean up NOTICE files ([gh#votca/votca#919])
  - rm PYTHON_INSTDIR from VOTCARC ([gh#votca/votca#924])
  - update citation in xtp README ([gh#votca/votca#925])
  - fix install permission of tutorials ([gh#votca/votca#926])- 
- Merge votca-{tools,csg,xtp} into one package

OBS-URL: https://build.opensuse.org/request/show/946726
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=5
 2022-01-16 02:50:34 +00:00
Dominique Leuenberger
ab7fbf34e6 Accepting request 941551 from science 
Merge votca-* into one package for more features and better testing.

OBS-URL: https://build.opensuse.org/request/show/941551
OBS-URL: https://build.opensuse.org/package/show/openSUSE:Factory/votca?expand=0&rev=1
 2021-12-20 20:06:10 +00:00
Christoph Junghans
2af6c311a8 OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=3 2021-12-19 22:37:26 +00:00
Christoph Junghans
634f751a85 OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=2 2021-12-19 22:36:46 +00:00
Christoph Junghans
a0149f071c Accepting request 941350 from home:cjunghans:branches:science 
Initial import

OBS-URL: https://build.opensuse.org/request/show/941350
OBS-URL: https://build.opensuse.org/package/show/science/votca?expand=0&rev=1
 2021-12-18 14:11:17 +00:00