forked from pool/python3-espressomd
Matej Cepl
4a6f936431
- added change from request #639007 - rename package to python3-espressomd - install COPYING for all packages - change license to GPL-3.0-or-later - added sonum define - Version bump to 4.0.0 - Rename pacakge to python-espressomd - Dropped 1830.patch - merged upstream - Dropped doc package - under rework in 4.0.0 - New features: - Reaction ensemble methods for the modelling of chemical reactions, including constant pH and Wang-Landau schemes. - Polarisable particles via the Drude-oscillator scheme. - Steepest-descent energy minimization scheme. - Methods for active particles (swimmer_reaction, dipolar swimmers). - GPU-accelerated P3M method for electrostatic interactions. - GPU-accelerated direct summation and Barnes-Hutt schemes for dipolar interactions under open boundary conditions. - Support for the electrostatic and magnetostatics method provided by the ScaFaCoS library. - Immersed boundary method for soft immersed objects in an LB fluid. - Virtual sites acting as inertialess tracers in an LB fluid usable as part of the immersed boundary method or independently. - New bonded quartic and Coulomb interactions. - Possibility to tune the skin parameter. - Support for saving to the h5md file format for molecular dynamics data. - Connection to the MD Analysis Python package. - A rotate_system command was added, which rotates the particle positions around the system’s center of mass. - Added 2255.patch to fix numpy issue on i586 - Added 2259.patch to fix numpy issue on big-endian platforms - Added 2265.patch to fix test on i586 - add 1830.patch to fix install - update version 3.3.1+git20180203.f74064d * many many small fixes * support for newer cython - adapt to new openlmi package - source mpivars.h during build - use individual libboost-*-devel packages instead of boost-devel - RPM group fixup - switched to cmake build-system - build python module - dropped header as they are for internal use only - dropped pkg-config files as nothing depends on libs yet - update version 3.3.1+git20160803.6ed0518.tar.gz * overhaul of buildsystem * many many small fixes - fix boo#985147 * there's a commit that removed redefinition of malloc and realloc which fixed build for gcc 6. but it's too hard to cherry pick, so update to the latest git version is a good idea - there's no --without-mpi option left in configure.ac, so "-openmpi" sub-package is meaningless now (everything has openmpi support) and since there's no two main packages any more, "-common" sub-package is also meaningless now (and it doesn't contains data), merged. - add sub-package: "-devel", "libEspresso0", "libEspressoTcl0" - add generate_headers.rb to gather those .hpp that're really used into "-devel" sub-package - create pkgconfig files - add some texlive BuildRequires to build pdf documentation. - update version 3.3.1+git20160622.6aa229c: * added edge statistics for meshes used by object-in-fluid * added pos_folded property * Adapted simple LB tests to current interface. * system.part.writevtk() * redesigned exclusions and added slice input * Scafacos: Add long range energy to correct place in energy data structure * Correction to scafacos energy calculation: Check cutoff in near field contrib * Scafacos: Sort out conditional compilation and cython includes * Scafacos: methods shared between electrostatics and dipolar calculations - Update to version 3.3.1 * A lot of changes; please read the NEWS file - version bumped to 3.3.0 - Highlights of this release include: - Calculation of the electrokinetic equations via the ELECTROKINETICS feature, - the Shan/Chen method for multi component lattice Boltzmann fluids, - the P3M and MMM1D methods can now be computed on a GPU, - ESPResSo now has a rudimentary Python interface. For a complete list of the changes in the release, please refer to: http://download.savannah.gnu.org/releases/espressomd/NEWS - build openmpi and non-mpi version - initial commit OBS-URL: https://build.opensuse.org/request/show/642129 OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=1
38 lines
1.5 KiB
Diff
38 lines
1.5 KiB
Diff
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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