forked from pool/python3-espressomd
Accepting request 668739 from devel:languages:python:numeric
OBS-URL: https://build.opensuse.org/request/show/668739 OBS-URL: https://build.opensuse.org/package/show/openSUSE:Factory/python3-espressomd?expand=0&rev=2
This commit is contained in:
Dominique Leuenberger
Git OBS Bridge
commit
8fdd452959
27
2255.patch
27
2255.patch
@ -1,27 +0,0 @@
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diff --git a/src/core/unit_tests/ParallelScriptInterface_test.cpp b/src/core/unit_tests/ParallelScriptInterface_test.cpp
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index 7374ed99ca..0195b4f7d1 100644
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--- a/src/core/unit_tests/ParallelScriptInterface_test.cpp
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+++ b/src/core/unit_tests/ParallelScriptInterface_test.cpp
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@@ -174,7 +174,7 @@ BOOST_AUTO_TEST_CASE(parameter_lifetime) {
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}
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int main(int argc, char **argv) {
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- mpi::environment mpi_env;
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+ mpi::environment mpi_env(argc, argv);
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mpi::communicator world;
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callbacks = Utils::make_unique<Communication::MpiCallbacks>(
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world, /* abort_on_exit */ false);
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diff --git a/src/python/espressomd/utils.pyx b/src/python/espressomd/utils.pyx
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index 9e29f0bd21..24ecb31c86 100644
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--- a/src/python/espressomd/utils.pyx
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+++ b/src/python/espressomd/utils.pyx
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@@ -331,6 +331,8 @@ def is_valid_type(value, t):
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if t == int:
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return isinstance(value, (int, np.integer, np.long))
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elif t == float:
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- return isinstance(value, (float, np.float16, np.float32, np.float64, np.float128, np.longdouble))
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+ if hasattr(np, 'float128'):
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+ return isinstance(value, (float, np.float16, np.float32, np.float64, np.float128, np.longdouble))
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+ return isinstance(value, (float, np.float16, np.float32, np.float64, np.longdouble))
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else:
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return isinstance(value, t)
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37
2259.patch
37
2259.patch
@ -1,37 +0,0 @@
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From 81f9b86cca275f053e914c7c42e864c3af9fed8e Mon Sep 17 00:00:00 2001
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From: Michael Kuron <mkuron@icp.uni-stuttgart.de>
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Date: Thu, 13 Sep 2018 11:09:40 +0200
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Subject: [PATCH] Fix PARTIAL_PERIODIC on big-endian platforms
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---
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src/core/global.cpp | 2 +-
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src/core/utils/serialization/List.hpp | 3 +++
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2 files changed, 4 insertions(+), 1 deletion(-)
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diff --git a/src/core/global.cpp b/src/core/global.cpp
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index 75959c3246..9164c5e0b4 100644
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--- a/src/core/global.cpp
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+++ b/src/core/global.cpp
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@@ -147,7 +147,7 @@ const std::unordered_map<int, Datafield> fields{
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{&nptiso.piston, Datafield::Type::DOUBLE, 1,
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"npt_piston"}}, /* 27 from pressure.cpp */
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{FIELD_PERIODIC,
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- {&periodic, Datafield::Type::BOOL, 3,
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+ {&periodic, Datafield::Type::INT, 1,
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"periodicity"}}, /* 28 from grid.cpp */
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{FIELD_SKIN,
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{&skin, Datafield::Type::DOUBLE, 1, "skin"}}, /* 29 from integrate.cpp */
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diff --git a/src/core/utils/serialization/List.hpp b/src/core/utils/serialization/List.hpp
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index fdc2d172ee..ae7fc37db3 100644
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--- a/src/core/utils/serialization/List.hpp
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+++ b/src/core/utils/serialization/List.hpp
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@@ -20,6 +20,9 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
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#define CORE_UTILS_SERIALIZATION_LIST_HPP
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#include <boost/serialization/array.hpp>
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+#if BOOST_VERSION >= 106400 && BOOST_VERSION < 106500
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+#include <boost/serialization/array_wrapper.hpp>
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+#endif
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#include <boost/serialization/split_free.hpp>
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#include "core/utils/List.hpp"
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56
2265.patch
56
2265.patch
@ -1,56 +0,0 @@
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From be29174ad76db081ff0111ac3b96c0a8f64aea5b Mon Sep 17 00:00:00 2001
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From: Michael Kuron <mkuron@users.noreply.github.com>
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Date: Fri, 14 Sep 2018 13:14:01 +0200
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Subject: [PATCH 1/2] Fix unit test on 32-bit platform
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---
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src/core/unit_tests/field_coupling_couplings_test.cpp | 8 ++++----
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1 file changed, 4 insertions(+), 4 deletions(-)
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diff --git a/src/core/unit_tests/field_coupling_couplings_test.cpp b/src/core/unit_tests/field_coupling_couplings_test.cpp
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index 268d666eff..1dd7809eb8 100644
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--- a/src/core/unit_tests/field_coupling_couplings_test.cpp
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+++ b/src/core/unit_tests/field_coupling_couplings_test.cpp
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@@ -78,10 +78,10 @@ BOOST_AUTO_TEST_CASE(scaled) {
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const int m_id;
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};
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- BOOST_CHECK((1.23 * 2.) == scaled_coupling(Particle(0), 2.));
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- BOOST_CHECK((default_val * 3.) == scaled_coupling(Particle(1), 3.));
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- BOOST_CHECK((3.45 * 4.) == scaled_coupling(Particle(2), 4.));
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- BOOST_CHECK((default_val * 5.) == scaled_coupling(Particle(3), 5.));
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+ BOOST_CHECK_CLOSE(1.23 * 2., scaled_coupling(Particle(0), 2.), 1e-14);
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+ BOOST_CHECK_CLOSE(default_val * 3., scaled_coupling(Particle(1), 3.), 1e-14);
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+ BOOST_CHECK_CLOSE(3.45 * 4., scaled_coupling(Particle(2), 4.), 1e-14);
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+ BOOST_CHECK_CLOSE(default_val * 5., scaled_coupling(Particle(3), 5.), 1e-14);
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}
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}
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From 005380040f5d7d9a50c450cdaf46639b333b8683 Mon Sep 17 00:00:00 2001
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From: Michael Kuron <mkuron@users.noreply.github.com>
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Date: Fri, 14 Sep 2018 14:20:59 +0200
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Subject: [PATCH 2/2] formatting
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---
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src/core/unit_tests/field_coupling_couplings_test.cpp | 6 ++++--
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1 file changed, 4 insertions(+), 2 deletions(-)
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diff --git a/src/core/unit_tests/field_coupling_couplings_test.cpp b/src/core/unit_tests/field_coupling_couplings_test.cpp
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index 1dd7809eb8..b14fad8e5e 100644
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--- a/src/core/unit_tests/field_coupling_couplings_test.cpp
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+++ b/src/core/unit_tests/field_coupling_couplings_test.cpp
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@@ -79,9 +79,11 @@ BOOST_AUTO_TEST_CASE(scaled) {
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};
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BOOST_CHECK_CLOSE(1.23 * 2., scaled_coupling(Particle(0), 2.), 1e-14);
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- BOOST_CHECK_CLOSE(default_val * 3., scaled_coupling(Particle(1), 3.), 1e-14);
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+ BOOST_CHECK_CLOSE(default_val * 3., scaled_coupling(Particle(1), 3.),
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+ 1e-14);
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BOOST_CHECK_CLOSE(3.45 * 4., scaled_coupling(Particle(2), 4.), 1e-14);
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- BOOST_CHECK_CLOSE(default_val * 5., scaled_coupling(Particle(3), 5.), 1e-14);
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+ BOOST_CHECK_CLOSE(default_val * 5., scaled_coupling(Particle(3), 5.),
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+ 1e-14);
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}
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}
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@ -1,3 +0,0 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:8e128847447eebd843de24be9b4ad14aa19c028ae48879a5a4535a9683836e6b
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size 25767191
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3
espresso-4.0.1.tar.gz
Normal file
3
espresso-4.0.1.tar.gz
Normal file
@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:17b7268eeba652a77f861bc534cdd05d206e7641d203a9dd5029b44bd422304b
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size 25793301
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@ -1,3 +1,10 @@
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-------------------------------------------------------------------
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Fri Jan 25 16:28:37 UTC 2019 - Christoph Junghans <junghans@votca.org>
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- Version bump to 4.0.1
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* Many small bugfixes
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- Drop 2255.patch, 2259.patch and 2265.patch - merged upstream
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-------------------------------------------------------------------
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Fri Sep 28 23:13:13 UTC 2018 - Christoph Junghans <junghans@votca.org>
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@ -32,19 +32,13 @@
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%define modname %{pkgname}md
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%define sonum 4
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Name: python3-%{modname}
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Version: 4.0.0
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Version: 4.0.1
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Release: 0
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Summary: Parallel simulation software for soft matter research
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License: GPL-3.0-or-later
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Group: Productivity/Scientific/Chemistry
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URL: http://espressomd.org
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Source: https://github.com/%{modname}/%{pkgname}/releases/download/%{version}/%{pkgname}-%{version}.tar.gz
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# PATCH-FIX-UPSTREAM 2255.patch https://github.com/espressomd/espresso/pull/2255 - fix numpy issue on i586
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Patch0: 2255.patch
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# PATCH-FIX-UPSTREAM 2259.patch https://github.com/espressomd/espresso/pull/2259 - fix numpy issue on big-endian platforms
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Patch1: 2259.patch
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# PATCH-FIX-UPSTREAM 2265.patch https://github.com/espressomd/espresso/pull/2265 - fix test on i586
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Patch2: 2265.patch
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BuildRequires: cmake
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BuildRequires: fftw3-devel
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BuildRequires: gcc-c++
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@ -81,10 +75,6 @@ This package provides shared libraries for ESPResSo.
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%prep
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%setup -q -n %{pkgname}-%{version}
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%patch0 -p1
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%patch1 -p1
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%patch2 -p1
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chmod -x AUTHORS COPYING README NEWS ChangeLog
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%build
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source %{_libdir}/mpi/gcc/%{mpi_implem}/bin/mpivars.sh
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@ -107,10 +97,16 @@ find %{buildroot}%{_prefix} -name "gen_pxiconfig" -exec chmod +x {} \;
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rm -f %{buildroot}%{_libdir}/lib*.so
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%check
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# https://github.com/espressomd/espresso/issues/2258
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%ifnarch i586 %arm ppc64le
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LD_LIBRARY_PATH='%{buildroot}/%{_libdir}::%{_libdir}/mpi/gcc/%{mpi_implem}/%{_lib}' make -C build check
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# https://github.com/espressomd/espresso/issues/2468
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%ifarch ppc64 ppc64le
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%global testargs ARGS='-E npt'
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%endif
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# https://github.com/espressomd/espresso/issues/2469
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%ifarch aarch64
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%global testargs ARGS='-E analyze_gyration_tensor'
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%endif
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LD_LIBRARY_PATH='%{buildroot}/%{_libdir}::%{_libdir}/mpi/gcc/%{mpi_implem}/%{_lib}' make -C build check CTEST_OUTPUT_ON_FAILURE=1 %{?testargs:%{testargs}}
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%post -n libEspresso%{sonum} -p /sbin/ldconfig
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%postun -n libEspresso%{sonum} -p /sbin/ldconfig
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