Accepting request 819606 from home:cjunghans:branches:devel:languages:python:numeric
- Update to 4.1.3, see https://github.com/espressomd/espresso/blob/4.1.3/NEWS for details - drop 3427.patch - merged upstream OBS-URL: https://build.opensuse.org/request/show/819606 OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=21
This commit is contained in:
Christoph Junghans
Git OBS Bridge
parent
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commit
75063dfe9d
96
3427.patch
96
3427.patch
@ -1,96 +0,0 @@
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From 540b6f0f5f59bd8257f09b750281dc7ddd9533c0 Mon Sep 17 00:00:00 2001
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From: =?UTF-8?q?Jean-No=C3=ABl=20Grad?= <jgrad@icp.uni-stuttgart.de>
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Date: Tue, 21 Jan 2020 15:39:10 +0100
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Subject: [PATCH] Fix BOOST_CHECK_CLOSE assertions
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`BOOST_*_CLOSE` assertions take a tolerance as a percentage.
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When using machine epsilon, it needs to be multiplied by 100.
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---
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src/core/unit_tests/grid_test.cpp | 17 ++++++++++-------
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src/utils/tests/int_pow_test.cpp | 4 ++--
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src/utils/tests/interpolation_test.cpp | 2 +-
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src/utils/tests/matrix_vector_product.cpp | 2 +-
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4 files changed, 14 insertions(+), 11 deletions(-)
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diff --git a/src/core/unit_tests/grid_test.cpp b/src/core/unit_tests/grid_test.cpp
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index 3b926bf8c8..310b416f80 100644
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--- a/src/core/unit_tests/grid_test.cpp
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+++ b/src/core/unit_tests/grid_test.cpp
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@@ -170,9 +170,9 @@ BOOST_AUTO_TEST_CASE(regular_decomposition_test) {
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auto const result = regular_decomposition(box, {0, 0, 0}, node_grid);
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auto const local_box_l = result.length();
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- BOOST_CHECK_CLOSE(box_l[0], local_box_l[0] * node_grid[0], eps);
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- BOOST_CHECK_CLOSE(box_l[1], local_box_l[1] * node_grid[1], eps);
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- BOOST_CHECK_CLOSE(box_l[2], local_box_l[2] * node_grid[2], eps);
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+ BOOST_CHECK_CLOSE(box_l[0], local_box_l[0] * node_grid[0], 100. * eps);
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+ BOOST_CHECK_CLOSE(box_l[1], local_box_l[1] * node_grid[1], 100. * eps);
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+ BOOST_CHECK_CLOSE(box_l[2], local_box_l[2] * node_grid[2], 100. * eps);
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}
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/* check corners */
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@@ -185,9 +185,12 @@ BOOST_AUTO_TEST_CASE(regular_decomposition_test) {
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auto const local_box_l = result.length();
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auto const lower_corner = result.my_left();
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- BOOST_CHECK_CLOSE(lower_corner[0], local_box_l[0] * node_pos[0], eps);
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- BOOST_CHECK_CLOSE(lower_corner[1], local_box_l[1] * node_pos[1], eps);
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- BOOST_CHECK_CLOSE(lower_corner[2], local_box_l[2] * node_pos[2], eps);
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+ BOOST_CHECK_CLOSE(lower_corner[0], local_box_l[0] * node_pos[0],
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+ 100. * eps);
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+ BOOST_CHECK_CLOSE(lower_corner[1], local_box_l[1] * node_pos[1],
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+ 100. * eps);
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+ BOOST_CHECK_CLOSE(lower_corner[2], local_box_l[2] * node_pos[2],
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+ 100. * eps);
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}
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}
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-}
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\ No newline at end of file
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+}
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diff --git a/src/utils/tests/int_pow_test.cpp b/src/utils/tests/int_pow_test.cpp
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index 072aabfff3..74610052d9 100644
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--- a/src/utils/tests/int_pow_test.cpp
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+++ b/src/utils/tests/int_pow_test.cpp
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@@ -40,7 +40,7 @@ BOOST_AUTO_TEST_CASE(even) {
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const double x = 3.14159;
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BOOST_CHECK(1 == int_pow<0>(x));
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- BOOST_CHECK_CLOSE(x * x, int_pow<2>(x), eps);
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+ BOOST_CHECK_CLOSE(x * x, int_pow<2>(x), 100. * eps);
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BOOST_CHECK_CLOSE((x * x) * (x * x), int_pow<4>(x), 100. * eps);
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}
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@@ -48,7 +48,7 @@ BOOST_AUTO_TEST_CASE(odd) {
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const double x = 3.14159;
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BOOST_CHECK(x == int_pow<1>(x));
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- BOOST_CHECK_CLOSE((x * x) * x, int_pow<3>(x), eps);
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+ BOOST_CHECK_CLOSE((x * x) * x, int_pow<3>(x), 100. * eps);
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BOOST_CHECK_CLOSE((x * x) * (x * x) * x, int_pow<5>(x), 100. * eps);
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}
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diff --git a/src/utils/tests/interpolation_test.cpp b/src/utils/tests/interpolation_test.cpp
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index 59a351e723..50b4b164b6 100644
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--- a/src/utils/tests/interpolation_test.cpp
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+++ b/src/utils/tests/interpolation_test.cpp
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@@ -140,7 +140,7 @@ BOOST_AUTO_TEST_CASE(nearest_point) {
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bspline_3d<1>({.1, .2, .3}, save_ind, {0.5, 0.5, 0.5}, {});
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BOOST_CHECK((std::array<int, 3>{{0, 0, 1}} == nmp));
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- BOOST_CHECK_CLOSE(weight, 1., std::numeric_limits<double>::epsilon());
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+ BOOST_CHECK_CLOSE(weight, 1., 100. * std::numeric_limits<double>::epsilon());
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}
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BOOST_AUTO_TEST_CASE(interpolation_points_3) {
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diff --git a/src/utils/tests/matrix_vector_product.cpp b/src/utils/tests/matrix_vector_product.cpp
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index fb015bb6c5..f3e560620d 100644
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--- a/src/utils/tests/matrix_vector_product.cpp
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+++ b/src/utils/tests/matrix_vector_product.cpp
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@@ -34,6 +34,6 @@ BOOST_AUTO_TEST_CASE(inner_product) {
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auto const result = Utils::matrix_vector_product<double, 3, matrix>(vector);
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for (int i = 0; i < 3; ++i) {
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BOOST_CHECK_CLOSE(result[i], boost::inner_product(matrix[i], vector, 0.0),
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- std::numeric_limits<double>::epsilon());
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+ 100. * std::numeric_limits<double>::epsilon());
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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 sha256:00bc8e4cab8fc8f56d18978970b55f09168521ed5898a92769986f2157a81a2c
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size 22921088
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3
espresso-4.1.3.tar.gz
Normal file
3
espresso-4.1.3.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 sha256:13dd998f71547c6c979a33d918b7f83e1a0e1c5f2bf2ddeeb0d1e99a3dcd6008
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size 16947336
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@ -1,3 +1,11 @@
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-------------------------------------------------------------------
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Wed Jul 8 19:14:39 UTC 2020 - Christoph Junghans <junghans@votca.org>
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- Update to 4.1.3, see
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https://github.com/espressomd/espresso/blob/4.1.3/NEWS for
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details
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- drop 3427.patch - merged upstream
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-------------------------------------------------------------------
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Thu May 21 21:52:51 UTC 2020 - Christoph Junghans <junghans@votca.org>
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@ -35,15 +35,13 @@
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%define pkgname espresso
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%define modname %{pkgname}md
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Name: python3-%{modname}
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Version: 4.1.2
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Version: 4.1.3
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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 3427.patch - fix test on 586 - https://github.com/espressomd/espresso/pull/3427
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Patch0: 3427.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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@ -81,7 +79,6 @@ systems, for example DNA and lipid membranes.
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%prep
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%setup -q -n %{pkgname}
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%patch0 -p1
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%build
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source %{_libdir}/mpi/gcc/%{mpiver}/bin/mpivars.sh
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