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Update votca to version 2024 / rev 10 via SR 1143680
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https://build.opensuse.org/request/show/1143680
by user cjunghans + anag+factory
- Drop python3-espressomd testing dependency, revert once
  gh#espressomd/espresso#4856 is fixed.
- Dropped 1093.patch, merged upstream
  - fix links in README and doc ([gh#votca/votca#1091])
  - fix python shebang to python3 ([gh#votca/votca#1093])
  - Clean-up CI ([gh#votca/votca#1092], [gh#votca/votca#1095])
  - remove reference to old webpage ([gh#votca/votca#1094])
  - fix doc generation without pyxtp ([gh#votca/votca#1097])
  - Do not run gmx tests without libgromacs ([gh#votca/votca#1099])
  - KS-QMMM for single-particle states ([gh#votca/votca#1100])
  - Spin-orbitals from ORCA in QMMM ([gh#votca/votca#1101])
  - better unit test for DFT embedding ([gh#votca/votca#1102])
- Update to 2024
  • Loading branch information
cjunghans authored and bmwiedemann committed Feb 4, 2024
1 parent 4ef9fa0 commit bf83840
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21 changes: 21 additions & 0 deletions packages/v/votca/.rev
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<comment></comment>
<requestid>1126770</requestid>
</revision>
<revision rev="10" vrev="1">
<srcmd5>d9071d94973b274f3cf6cefbcf73869d</srcmd5>
<version>2024</version>
<time>1707070055</time>
<user>anag+factory</user>
<comment>- Drop python3-espressomd testing dependency, revert once
gh#espressomd/espresso#4856 is fixed.
- Dropped 1093.patch, merged upstream
- fix links in README and doc ([gh#votca/votca#1091])
- fix python shebang to python3 ([gh#votca/votca#1093])
- Clean-up CI ([gh#votca/votca#1092], [gh#votca/votca#1095])
- remove reference to old webpage ([gh#votca/votca#1094])
- fix doc generation without pyxtp ([gh#votca/votca#1097])
- Do not run gmx tests without libgromacs ([gh#votca/votca#1099])
- KS-QMMM for single-particle states ([gh#votca/votca#1100])
- Spin-orbitals from ORCA in QMMM ([gh#votca/votca#1101])
- better unit test for DFT embedding ([gh#votca/votca#1102])
- Update to 2024
</comment>
<requestid>1143680</requestid>
</revision>
</revisionlist>
74 changes: 0 additions & 74 deletions packages/v/votca/1093.patch

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1 change: 0 additions & 1 deletion packages/v/votca/votca-2023.tar.gz

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1 change: 1 addition & 0 deletions packages/v/votca/votca-2024.tar.gz
21 changes: 21 additions & 0 deletions packages/v/votca/votca.changes
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-------------------------------------------------------------------
Wed Jan 31 20:58:32 UTC 2024 - Christoph Junghans <junghans@votca.org>

- Drop python3-espressomd testing dependency, revert once
gh#espressomd/espresso#4856 is fixed.

-------------------------------------------------------------------
Thu Jan 25 14:33:26 UTC 2024 - Christoph Junghans <junghans@votca.org>

- Dropped 1093.patch, merged upstream
- fix links in README and doc ([gh#votca/votca#1091])
- fix python shebang to python3 ([gh#votca/votca#1093])
- Clean-up CI ([gh#votca/votca#1092], [gh#votca/votca#1095])
- remove reference to old webpage ([gh#votca/votca#1094])
- fix doc generation without pyxtp ([gh#votca/votca#1097])
- Do not run gmx tests without libgromacs ([gh#votca/votca#1099])
- KS-QMMM for single-particle states ([gh#votca/votca#1100])
- Spin-orbitals from ORCA in QMMM ([gh#votca/votca#1101])
- better unit test for DFT embedding ([gh#votca/votca#1102])
- Update to 2024

-------------------------------------------------------------------
Thu Nov 16 04:24:41 UTC 2023 - Christoph Junghans <junghans@votca.org>

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12 changes: 3 additions & 9 deletions packages/v/votca/votca.spec
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%endif

Name: votca
Version: 2023
Version: 2024
Release: 0
%define uversion %{version}
%define sover 2023
%define sover 2024
Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications
License: Apache-2.0
Group: Productivity/Scientific/Chemistry
URL: https://www.votca.org
Source0: https://github.com/votca/votca/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
# PATCH-FIX-UPSTREAM 1093.patch -- fix python shebang
Patch0: 1093.patch

BuildRequires: cmake >= 3.13
BuildRequires: eigen3-devel
Expand Down Expand Up @@ -74,9 +72,6 @@ BuildRequires: procps
BuildRequires: psmisc
BuildRequires: python3-cma
# only needed for testing
%ifarch x86_64
BuildRequires: python3-espressomd
%endif
BuildRequires: python3-lxml
BuildRequires: python3-pytest
# for hdf5
Expand Down Expand Up @@ -180,8 +175,7 @@ Provides: votca-csg-bash = %version-%release
This package contains the bash completion support for votca.

%prep
%setup -n %{name}-%{uversion} -q
%patch 0 -p1
%autosetup -n %{name}-%{uversion}

%build
%setup_openmpi
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