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Accepting request 946726 from home:cjunghans:branches:science

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- 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
This commit is contained in:
Christoph Junghans 2022-01-16 02:50:34 +00:00 committed by Git OBS Bridge
parent ab7fbf34e6
commit 0eec135b39
4 changed files with 30 additions and 16 deletions
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3
votca-2022-rc.2.tar.gz
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@ -1,3 +0,0 @@
version https://git-lfs.github.com/spec/v1
oid sha256:94a81c397b5ce2cb32171e87ccef5f68352cbffd8d6ee8d41b7fff4028ede497
size 61692061

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votca-2022.tar.gz Normal file
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@ -0,0 +1,3 @@
version https://git-lfs.github.com/spec/v1
oid sha256:eac5e34bd6304780ddb82edcd805c4ea7ac3f13224e61a339f7836e06c3fabaa
size 61688862

17
votca.changes
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@ -1,3 +1,18 @@
-------------------------------------------------------------------
Sun Jan 16 01:10:58 UTC 2022 - Christoph Junghans <junghans@votca.org>
- 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])
-------------------------------------------------------------------
Sun Dec 19 22:37:10 UTC 2021 - Christoph Junghans <junghans@votca.org>
@ -6,7 +21,7 @@ Sun Dec 19 22:37:10 UTC 2021 - Christoph Junghans <junghans@votca.org>
-------------------------------------------------------------------
Thu Dec 16 03:53:04 UTC 2021 - Christoph Junghans <junghans@votca.org>
- Update to 2020-rc.2
- 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])

23
votca.spec
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@ -1,8 +1,8 @@
#
# spec file for package votca
#
# Copyright (c) 2021 SUSE LLC
# Copyright (c) 2021 Christoph Junghans
# Copyright (c) 2021-2022 SUSE LLC
# Copyright (c) 2021-2022 Christoph Junghans
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@ -16,10 +16,11 @@
# Please submit bugfixes or comments via https://bugs.opensuse.org/
#
Name: votca
Version: 2022~rc2
Version: 2022
Release: 0
%define uversion 2022-rc.2
%define uversion %{version}
%define sover 2022
Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications
License: Apache-2.0
@ -70,7 +71,6 @@ Provides: votca-csg-apps = %version-%release
Obsoletes: votca-xtp <= 2022~rc1
Provides: votca-xtp = %version-%release
%global with_xtp 1
# libint2 used by xtp is broken on 32-bit archs
# https://github.com/evaleev/libint/issues/196
@ -91,12 +91,12 @@ in disordered semiconductors.
%package -n libvotca%sover
Summary: VOTCA tools library
Group: System/Libraries
Obsoletes: libvotca_tools2022 <= 2022~rc1
Provides: libvotca_tools2022 = %version-%release
Obsoletes: libvotca_csg2022 <= 2022~rc1
Provides: libvotca_csg2022 = %version-%release
Obsoletes: libvotca_xtp2022 <= 2022~rc1
Provides: libvotca_xtp2022 = %version-%release
Obsoletes: libvotca_tools2022 <= 2022~rc1
Provides: libvotca_tools2022 = %version-%release
Obsoletes: libvotca_csg2022 <= 2022~rc1
Provides: libvotca_csg2022 = %version-%release
Obsoletes: libvotca_xtp2022 <= 2022~rc1
Provides: libvotca_xtp2022 = %version-%release
%description -n libvotca%sover
%{votca_desc}
@ -197,7 +197,6 @@ sed -i '1s@env @@' %{buildroot}/%{_bindir}/votca_{compare,help2doc} \
sed -i '1s@env @@' %{buildroot}/%{_bindir}/xtp_* %{buildroot}/%{_datadir}/votca/xtp/benchmark/xtp_benchmark
%endif
# Move bash completion file to correct location
mkdir -p %{buildroot}%{_datadir}/bash_completion.d
cp %{buildroot}%{_datadir}/votca/rc/csg-completion.bash %{buildroot}%{_datadir}/bash_completion.d/votca