The package rpms/votca.git has added or updated architecture specific content in its
spec file (ExclusiveArch/ExcludeArch or %ifarch/%ifnarch) in commit(s):
https://src.fedoraproject.org/cgit/rpms/votca.git/commit/?id=e9ad59a144d6...
https://src.fedoraproject.org/cgit/rpms/votca.git/commit/?id=c18c3adcabf4....
Change:
+%ifarch s390x
-%ifnarch s390x i686 armv7hl
Thanks.
Full change:
============
commit e9ad59a144d6d3164b17b292158bd2433b5358fe
Author: Christoph Junghans <junghans(a)votca.org>
Date: Wed Jan 24 21:39:54 2024 -0700
Version bump to v2024 (bug#2260025)
diff --git a/.gitignore b/.gitignore
index efc267f..1c73cdc 100644
--- a/.gitignore
+++ b/.gitignore
@@ -5,3 +5,4 @@
/votca-2023-rc.1.tar.gz
/votca-2023-rc.2.tar.gz
/votca-2023.tar.gz
+/votca-2024.tar.gz
diff --git a/1093.patch b/1093.patch
deleted file mode 100644
index a9c3122..0000000
--- a/1093.patch
+++ /dev/null
@@ -1,74 +0,0 @@
-From e1e568942fef46f63cfae0317a72f86cf4bddf46 Mon Sep 17 00:00:00 2001
-From: Christoph Junghans <junghans(a)votca.org>
-Date: Wed, 15 Nov 2023 19:56:20 -0700
-Subject: [PATCH] py: fix all shebangs
-
----
- tools/scripts/extract_xml_metadata.py | 2 +-
- xtp-tutorials/pyxtp/scripts/run_energy.py | 2 +-
- xtp-tutorials/pyxtp/scripts/run_gradient.py | 2 +-
- xtp-tutorials/pyxtp/scripts/run_mapchecker.py | 2 +-
- xtp-tutorials/pyxtp/scripts/run_optimization.py | 2 +-
- xtp/src/pyxtp/pyxtp/capture_standard_output.py | 2 +-
- 6 files changed, 6 insertions(+), 6 deletions(-)
-
-diff --git a/tools/scripts/extract_xml_metadata.py
b/tools/scripts/extract_xml_metadata.py
-index 413fb81f07..fde43f5ec3 100755
---- a/tools/scripts/extract_xml_metadata.py
-+++ b/tools/scripts/extract_xml_metadata.py
-@@ -1,4 +1,4 @@
--#!/usr/bin/env python
-+#!/usr/bin/env python3
- #
- # Copyright 2009-2020 The VOTCA Development Team (
http://www.votca.org)
- #
-diff --git a/xtp-tutorials/pyxtp/scripts/run_energy.py
b/xtp-tutorials/pyxtp/scripts/run_energy.py
-index bf585b91e8..dbc8d2b9d0 100644
---- a/xtp-tutorials/pyxtp/scripts/run_energy.py
-+++ b/xtp-tutorials/pyxtp/scripts/run_energy.py
-@@ -1,4 +1,4 @@
--#!/usr/bin/env python
-+#!/usr/bin/env python3
- """Example to compute energies using XTP."""
- from pyxtp import xtp, Visualization
- from ase import Atoms
-diff --git a/xtp-tutorials/pyxtp/scripts/run_gradient.py
b/xtp-tutorials/pyxtp/scripts/run_gradient.py
-index 30bfbf0472..16aa6c8730 100644
---- a/xtp-tutorials/pyxtp/scripts/run_gradient.py
-+++ b/xtp-tutorials/pyxtp/scripts/run_gradient.py
-@@ -1,4 +1,4 @@
--#!/usr/bin/env python
-+#!/usr/bin/env python3
- """Example to perform a gradient calculation."""
- from pyxtp import xtp
- from ase import Atoms
-diff --git a/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
b/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
-index 41db246465..f53783ce68 100755
---- a/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
-+++ b/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
-@@ -1,4 +1,4 @@
--#!/usr/bin/env python
-+#!/usr/bin/env python3
- """Examples to show xtp_binds usage."""
- from pyxtp import xtp_binds
- from pathlib import Path
-diff --git a/xtp-tutorials/pyxtp/scripts/run_optimization.py
b/xtp-tutorials/pyxtp/scripts/run_optimization.py
-index 3a624e35b5..c4301b43af 100644
---- a/xtp-tutorials/pyxtp/scripts/run_optimization.py
-+++ b/xtp-tutorials/pyxtp/scripts/run_optimization.py
-@@ -1,4 +1,4 @@
--#!/usr/bin/env python
-+#!/usr/bin/env python3
- """Example to optimize the geometry of CO"""
- from pyxtp import xtp
- from ase.io import write
-diff --git a/xtp/src/pyxtp/pyxtp/capture_standard_output.py
b/xtp/src/pyxtp/pyxtp/capture_standard_output.py
-index 5cc5e14c2d..ec5514ac33 100644
---- a/xtp/src/pyxtp/pyxtp/capture_standard_output.py
-+++ b/xtp/src/pyxtp/pyxtp/capture_standard_output.py
-@@ -1,4 +1,4 @@
--#!/usr/bin/env python
-+#!/usr/bin/env python3
- """Examples to show xtp_binds usage."""
- import io
- from contextlib import redirect_stdout
diff --git a/sources b/sources
index 70f3d0e..8495f27 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-SHA512 (votca-2023.tar.gz) =
eb8a3c8629991f3bfcd5dc5cca0d21f6c8a246d259868d8ba9866d7e9922ef8cf31ff652209ff930cb2ce7f402df7fb70652c70c97075771519301756305d9ff
+SHA512 (votca-2024.tar.gz) =
765bb5e76493a4bb5d00d62911f33d576ba3a3e72ccdf03d5fb66b67fafa12a133da3b19d6883f76f0354be30ecefd3c6537643854c5fe44646db270ba1fa5ff
diff --git a/votca.spec b/votca.spec
index 3fe42ae..bd10455 100644
--- a/votca.spec
+++ b/votca.spec
@@ -1,27 +1,22 @@
Name: votca
-Version: 2023
+Version: 2024
%global uversion %{version}
-%global sover 2023
-Release: 2%{?dist}
+%global sover 2024
+Release: 1%{?dist}
Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications
License: ASL 2.0
URL:
http://www.votca.org
Source0:
https://github.com/votca/votca/archive/v%{uversion}.tar.gz#/%{name}-%{uve...
-Patch0: 1093.patch
+
+#
https://fedoraproject.org/wiki/Changes/EncourageI686LeafRemoval
+ExcludeArch: %{ix86}
%global with_xtp 1
-# libint2 used by xtp is broken on 32-bit archs
-#
https://github.com/evaleev/libint/issues/196
-#
https://github.com/votca/xtp/issues/652
-%ifarch %ix86 %arm
-%global with_xtp 0
-%endif
%global with_gmx 1
-# no gromacs package on 32-bit archs
-# and since gmx-2023 also s390x
+# no gromacs package on s390x
# same for espressomd
-%ifarch %ix86 %arm s390x
+%ifarch s390x
%global with_gmx 0
%endif
@@ -189,8 +184,7 @@ Provides: votca-csg-bash = %version-%release
This package contains bash completion support for the VOTCA package.
%prep
-%setup -q -n %{name}-%{uversion}
-%patch 0 -p1
+%autosetup -p1 -n %{name}-%{uversion}
# we don't have an espressopp package in Fedora yet
rm -rf csg-tutorials/spce/ibi_espressopp
@@ -257,6 +251,9 @@ export
PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}"
%{_datadir}/bash-completion/completions/votca
%changelog
+* Wed Jan 24 2024 Christoph Junghans <junghans(a)votca.org> - 2024-1
+- Version bump to v2024 (bug#2260025)
+
* Thu Jan 18 2024 Jonathan Wakely <jwakely(a)redhat.com> - 2023-2
- Rebuilt for Boost 1.83
commit 55adc3a82008d36302e9e2b8b50723887941c03b
Author: Jonathan Wakely <jwakely(a)redhat.com>
Date: Thu Jan 18 05:23:59 2024 +0000
Rebuilt for Boost 1.83
diff --git a/votca.spec b/votca.spec
index 809f1c6..3fe42ae 100644
--- a/votca.spec
+++ b/votca.spec
@@ -2,7 +2,7 @@ Name: votca
Version: 2023
%global uversion %{version}
%global sover 2023
-Release: 1%{?dist}
+Release: 2%{?dist}
Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications
License: ASL 2.0
URL:
http://www.votca.org
@@ -257,6 +257,9 @@ export
PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}"
%{_datadir}/bash-completion/completions/votca
%changelog
+* Thu Jan 18 2024 Jonathan Wakely <jwakely(a)redhat.com> - 2023-2
+- Rebuilt for Boost 1.83
+
* Thu Nov 16 2023 Christoph Junghans <junghans(a)votca.org> - 2023-1
- Version bump to v2023
commit ff1bdc4a6aec3fa894128fe6306b80948a1317a0
Author: Christoph Junghans <junghans(a)votca.org>
Date: Wed Nov 15 21:17:52 2023 -0700
Version bump to v2023
diff --git a/.gitignore b/.gitignore
index 08184df..efc267f 100644
--- a/.gitignore
+++ b/.gitignore
@@ -4,3 +4,4 @@
/votca-2022.1.tar.gz
/votca-2023-rc.1.tar.gz
/votca-2023-rc.2.tar.gz
+/votca-2023.tar.gz
diff --git a/1093.patch b/1093.patch
new file mode 100644
index 0000000..a9c3122
--- /dev/null
+++ b/1093.patch
@@ -0,0 +1,74 @@
+From e1e568942fef46f63cfae0317a72f86cf4bddf46 Mon Sep 17 00:00:00 2001
+From: Christoph Junghans <junghans(a)votca.org>
+Date: Wed, 15 Nov 2023 19:56:20 -0700
+Subject: [PATCH] py: fix all shebangs
+
+---
+ tools/scripts/extract_xml_metadata.py | 2 +-
+ xtp-tutorials/pyxtp/scripts/run_energy.py | 2 +-
+ xtp-tutorials/pyxtp/scripts/run_gradient.py | 2 +-
+ xtp-tutorials/pyxtp/scripts/run_mapchecker.py | 2 +-
+ xtp-tutorials/pyxtp/scripts/run_optimization.py | 2 +-
+ xtp/src/pyxtp/pyxtp/capture_standard_output.py | 2 +-
+ 6 files changed, 6 insertions(+), 6 deletions(-)
+
+diff --git a/tools/scripts/extract_xml_metadata.py
b/tools/scripts/extract_xml_metadata.py
+index 413fb81f07..fde43f5ec3 100755
+--- a/tools/scripts/extract_xml_metadata.py
++++ b/tools/scripts/extract_xml_metadata.py
+@@ -1,4 +1,4 @@
+-#!/usr/bin/env python
++#!/usr/bin/env python3
+ #
+ # Copyright 2009-2020 The VOTCA Development Team (
http://www.votca.org)
+ #
+diff --git a/xtp-tutorials/pyxtp/scripts/run_energy.py
b/xtp-tutorials/pyxtp/scripts/run_energy.py
+index bf585b91e8..dbc8d2b9d0 100644
+--- a/xtp-tutorials/pyxtp/scripts/run_energy.py
++++ b/xtp-tutorials/pyxtp/scripts/run_energy.py
+@@ -1,4 +1,4 @@
+-#!/usr/bin/env python
++#!/usr/bin/env python3
+ """Example to compute energies using XTP."""
+ from pyxtp import xtp, Visualization
+ from ase import Atoms
+diff --git a/xtp-tutorials/pyxtp/scripts/run_gradient.py
b/xtp-tutorials/pyxtp/scripts/run_gradient.py
+index 30bfbf0472..16aa6c8730 100644
+--- a/xtp-tutorials/pyxtp/scripts/run_gradient.py
++++ b/xtp-tutorials/pyxtp/scripts/run_gradient.py
+@@ -1,4 +1,4 @@
+-#!/usr/bin/env python
++#!/usr/bin/env python3
+ """Example to perform a gradient calculation."""
+ from pyxtp import xtp
+ from ase import Atoms
+diff --git a/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
b/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
+index 41db246465..f53783ce68 100755
+--- a/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
++++ b/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
+@@ -1,4 +1,4 @@
+-#!/usr/bin/env python
++#!/usr/bin/env python3
+ """Examples to show xtp_binds usage."""
+ from pyxtp import xtp_binds
+ from pathlib import Path
+diff --git a/xtp-tutorials/pyxtp/scripts/run_optimization.py
b/xtp-tutorials/pyxtp/scripts/run_optimization.py
+index 3a624e35b5..c4301b43af 100644
+--- a/xtp-tutorials/pyxtp/scripts/run_optimization.py
++++ b/xtp-tutorials/pyxtp/scripts/run_optimization.py
+@@ -1,4 +1,4 @@
+-#!/usr/bin/env python
++#!/usr/bin/env python3
+ """Example to optimize the geometry of CO"""
+ from pyxtp import xtp
+ from ase.io import write
+diff --git a/xtp/src/pyxtp/pyxtp/capture_standard_output.py
b/xtp/src/pyxtp/pyxtp/capture_standard_output.py
+index 5cc5e14c2d..ec5514ac33 100644
+--- a/xtp/src/pyxtp/pyxtp/capture_standard_output.py
++++ b/xtp/src/pyxtp/pyxtp/capture_standard_output.py
+@@ -1,4 +1,4 @@
+-#!/usr/bin/env python
++#!/usr/bin/env python3
+ """Examples to show xtp_binds usage."""
+ import io
+ from contextlib import redirect_stdout
diff --git a/sources b/sources
index fdb3bc9..70f3d0e 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-SHA512 (votca-2023-rc.2.tar.gz) =
983c9139c584541809c11c2299eb94d26a35ff59087771e4fc333d13285cae20c56ed636c8649342274f47760c2b2b40a2e2a030e9f60fc0bad0709c550045c3
+SHA512 (votca-2023.tar.gz) =
eb8a3c8629991f3bfcd5dc5cca0d21f6c8a246d259868d8ba9866d7e9922ef8cf31ff652209ff930cb2ce7f402df7fb70652c70c97075771519301756305d9ff
diff --git a/votca.spec b/votca.spec
index 94423d3..809f1c6 100644
--- a/votca.spec
+++ b/votca.spec
@@ -1,12 +1,13 @@
Name: votca
-Version: 2023~rc2
-%global uversion 2023-rc.2
+Version: 2023
+%global uversion %{version}
%global sover 2023
-Release: 2%{?dist}
+Release: 1%{?dist}
Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications
License: ASL 2.0
URL:
http://www.votca.org
Source0:
https://github.com/votca/votca/archive/v%{uversion}.tar.gz#/%{name}-%{uve...
+Patch0: 1093.patch
%global with_xtp 1
# libint2 used by xtp is broken on 32-bit archs
@@ -189,6 +190,7 @@ This package contains bash completion support for the VOTCA package.
%prep
%setup -q -n %{name}-%{uversion}
+%patch 0 -p1
# we don't have an espressopp package in Fedora yet
rm -rf csg-tutorials/spce/ibi_espressopp
@@ -255,6 +257,9 @@ export
PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}"
%{_datadir}/bash-completion/completions/votca
%changelog
+* Thu Nov 16 2023 Christoph Junghans <junghans(a)votca.org> - 2023-1
+- Version bump to v2023
+
* Sun Nov 12 2023 Christoph Junghans <junghans(a)votca.org> - 2023~rc2-2
- Rebuild for gromacs-2023
commit c18c3adcabf46d196fffd4a55db97cd36bdcda5b
Author: Christoph Junghans <junghans(a)votca.org>
Date: Sun Nov 12 12:57:58 2023 -0700
Rebuild for gromacs-2023
diff --git a/votca.spec b/votca.spec
index 1af2fdc..94423d3 100644
--- a/votca.spec
+++ b/votca.spec
@@ -2,7 +2,7 @@ Name: votca
Version: 2023~rc2
%global uversion 2023-rc.2
%global sover 2023
-Release: 1%{?dist}
+Release: 2%{?dist}
Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications
License: ASL 2.0
URL:
http://www.votca.org
@@ -18,7 +18,9 @@ Source0:
https://github.com/votca/votca/archive/v%{uversion}.tar.gz#/%{na
%global with_gmx 1
# no gromacs package on 32-bit archs
-%ifarch %ix86 %arm
+# and since gmx-2023 also s390x
+# same for espressomd
+%ifarch %ix86 %arm s390x
%global with_gmx 0
%endif
@@ -46,12 +48,13 @@ BuildRequires: libint2-devel
# mpi packages only used for testing
%if %{with_gmx}
BuildRequires: gromacs-openmpi
-%endif
-# not available on 32-bit archs
-%ifnarch s390x i686 armv7hl
+# only needed to run gromacs
+BuildRequires: openmpi-devel
BuildRequires: python3-espresso-openmpi
+%else
+%global _openmpi_load %{nil}
+%global _openmpi_unload %{nil}
%endif
-BuildRequires: openmpi-devel
#used for testing only
%if %{with_gmx}
@@ -252,6 +255,9 @@ export
PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}"
%{_datadir}/bash-completion/completions/votca
%changelog
+* Sun Nov 12 2023 Christoph Junghans <junghans(a)votca.org> - 2023~rc2-2
+- Rebuild for gromacs-2023
+
* Wed Jul 26 2023 Christoph Junghans <junghans(a)votca.org> - 2023~rc2-1
- Version bump to v2023-rc.2