- 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
28 lines
1.3 KiB
Diff
28 lines
1.3 KiB
Diff
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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