From fb13f5687e9c6eeede3b9e45375eedaaafad5c4adb16fc8ff3c473a0b27c56b7 Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Sat, 24 Dec 2022 14:49:56 +0000 Subject: [PATCH] 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 --- votca.changes | 6 ++++++ votca.spec | 20 ++++++++++++-------- 2 files changed, 18 insertions(+), 8 deletions(-) diff --git a/votca.changes b/votca.changes index 3cfa9d7..ad4ffab 100644 --- a/votca.changes +++ b/votca.changes @@ -21,6 +21,12 @@ Wed Dec 21 22:25:15 UTC 2022 - Christoph Junghans - update github actions to new versions ([gh#votca/votca#1007], [gh#votca/votca#1013]) +------------------------------------------------------------------- +Thu Dec 15 11:49:02 UTC 2022 - Guillaume GARDET + +- Disable gromacs on 32-bit arm since it is missing +- Do not requires libint when xtp is disabled + ------------------------------------------------------------------- Wed Dec 7 06:21:38 UTC 2022 - Stefan Brüns diff --git a/votca.spec b/votca.spec index 82dd32a..ceff63a 100644 --- a/votca.spec +++ b/votca.spec @@ -16,6 +16,13 @@ # Please submit bugfixes or comments via https://bugs.opensuse.org/ # +%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 Name: votca Version: 2022.1 @@ -34,8 +41,11 @@ BuildRequires: fdupes BuildRequires: fftw3-devel BuildRequires: gcc-c++ BuildRequires: gnuplot +# gromacs is not available on 32-bit arm +%ifnarch %{arm} BuildRequires: gromacs-devel BuildRequires: gromacs-openmpi +%endif BuildRequires: hdf5-devel BuildRequires: lammps BuildRequires: libboost_filesystem-devel >= 1.71.0 @@ -47,7 +57,9 @@ BuildRequires: libboost_test-devel >= 1.71.0 BuildRequires: libboost_timer-devel >= 1.71.0 BuildRequires: libecpint-devel BuildRequires: libexpat-devel +%if %{with_xtp} BuildRequires: libint-devel +%endif BuildRequires: libxc-devel BuildRequires: memory-constraints BuildRequires: openmpi-macros-devel @@ -73,14 +85,6 @@ 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 -# https://github.com/votca/xtp/issues/652 -%ifarch %ix86 %arm -%global with_xtp 0 -%endif - %global votca_desc \ VOTCA is a software package which focuses on the analysis of molecular \ dynamics data, the development of systematic coarse-graining techniques as \