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python3-espressomd/hdf5.patch

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- Update to 4.2.0: This is a feature release, i.e., new functionality is added to ESPResSo. New thermostats, cell systems and boundary conditions have been introduced to simulate systems with Stokesian Dynamics, Brownian Dynamics, strongly inhomogeneous particle sizes or translation-invariant shear flow. The interface underwent (non-silent) changes, therefore scripts will have to be slightly adapted. Most notably, particle access by id and particle slices have a new syntax, and electrostatic/magnetostatic layer correction and reaction methods have a different setup. All errors are also now emitted as Python exceptions and are recoverable with minimal effort. An additional focus of this release is the simplification of both the C++ core and the Python script interface to facilitate future extensions of ESPResSo. The testing of ESPResSo's functionality has been extended considerably. We recommend that this release be used for all production simulations. No further bug fix releases will be provided for the 4.1 line, and not all fixes are present in ESPResSo 4.1.4. Added functionality ------------------- * `P3MGPU` now supports energy and pressure calculation via the CPU kernels (#4506). * `ELC` now works with `P3MGPU` (#4506). * The LB grid now supports slicing operations (#4195) and LB slices are equality comparable (#4268). * Lees-Edwards boundary conditions can be used for particle-based simulations (#4457). Lattice-Boltzmann OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=32
2022-07-20 20:34:52 +02:00
---
src/core/CMakeLists.txt | 4 ++++
1 file changed, 4 insertions(+)
Accepting request 970387 from home:jngrad:branches:devel:languages:python:numeric Fixed bug #1198352 OBS-URL: https://build.opensuse.org/request/show/970387 OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=30
2022-04-28 23:54:17 +02:00
--- a/src/core/CMakeLists.txt
+++ b/src/core/CMakeLists.txt
- Update to 4.2.0: This is a feature release, i.e., new functionality is added to ESPResSo. New thermostats, cell systems and boundary conditions have been introduced to simulate systems with Stokesian Dynamics, Brownian Dynamics, strongly inhomogeneous particle sizes or translation-invariant shear flow. The interface underwent (non-silent) changes, therefore scripts will have to be slightly adapted. Most notably, particle access by id and particle slices have a new syntax, and electrostatic/magnetostatic layer correction and reaction methods have a different setup. All errors are also now emitted as Python exceptions and are recoverable with minimal effort. An additional focus of this release is the simplification of both the C++ core and the Python script interface to facilitate future extensions of ESPResSo. The testing of ESPResSo's functionality has been extended considerably. We recommend that this release be used for all production simulations. No further bug fix releases will be provided for the 4.1 line, and not all fixes are present in ESPResSo 4.1.4. Added functionality ------------------- * `P3MGPU` now supports energy and pressure calculation via the CPU kernels (#4506). * `ELC` now works with `P3MGPU` (#4506). * The LB grid now supports slicing operations (#4195) and LB slices are equality comparable (#4268). * Lees-Edwards boundary conditions can be used for particle-based simulations (#4457). Lattice-Boltzmann OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=32
2022-07-20 20:34:52 +02:00
@@ -127,6 +127,10 @@ add_subdirectory(reaction_methods)
add_subdirectory(scafacos)
add_subdirectory(virtual_sites)
Accepting request 970387 from home:jngrad:branches:devel:languages:python:numeric Fixed bug #1198352 OBS-URL: https://build.opensuse.org/request/show/970387 OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=30
2022-04-28 23:54:17 +02:00
+if(H5MD)
+ target_link_libraries(EspressoCore PUBLIC ${HDF5_LIBRARIES})
+endif(H5MD)
- Update to 4.2.0: This is a feature release, i.e., new functionality is added to ESPResSo. New thermostats, cell systems and boundary conditions have been introduced to simulate systems with Stokesian Dynamics, Brownian Dynamics, strongly inhomogeneous particle sizes or translation-invariant shear flow. The interface underwent (non-silent) changes, therefore scripts will have to be slightly adapted. Most notably, particle access by id and particle slices have a new syntax, and electrostatic/magnetostatic layer correction and reaction methods have a different setup. All errors are also now emitted as Python exceptions and are recoverable with minimal effort. An additional focus of this release is the simplification of both the C++ core and the Python script interface to facilitate future extensions of ESPResSo. The testing of ESPResSo's functionality has been extended considerably. We recommend that this release be used for all production simulations. No further bug fix releases will be provided for the 4.1 line, and not all fixes are present in ESPResSo 4.1.4. Added functionality ------------------- * `P3MGPU` now supports energy and pressure calculation via the CPU kernels (#4506). * `ELC` now works with `P3MGPU` (#4506). * The LB grid now supports slicing operations (#4195) and LB slices are equality comparable (#4268). * Lees-Edwards boundary conditions can be used for particle-based simulations (#4457). Lattice-Boltzmann OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=32
2022-07-20 20:34:52 +02:00
+
if(WITH_TESTS)
Accepting request 970387 from home:jngrad:branches:devel:languages:python:numeric Fixed bug #1198352 OBS-URL: https://build.opensuse.org/request/show/970387 OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=30
2022-04-28 23:54:17 +02:00
add_subdirectory(unit_tests)
- Update to 4.2.0: This is a feature release, i.e., new functionality is added to ESPResSo. New thermostats, cell systems and boundary conditions have been introduced to simulate systems with Stokesian Dynamics, Brownian Dynamics, strongly inhomogeneous particle sizes or translation-invariant shear flow. The interface underwent (non-silent) changes, therefore scripts will have to be slightly adapted. Most notably, particle access by id and particle slices have a new syntax, and electrostatic/magnetostatic layer correction and reaction methods have a different setup. All errors are also now emitted as Python exceptions and are recoverable with minimal effort. An additional focus of this release is the simplification of both the C++ core and the Python script interface to facilitate future extensions of ESPResSo. The testing of ESPResSo's functionality has been extended considerably. We recommend that this release be used for all production simulations. No further bug fix releases will be provided for the 4.1 line, and not all fixes are present in ESPResSo 4.1.4. Added functionality ------------------- * `P3MGPU` now supports energy and pressure calculation via the CPU kernels (#4506). * `ELC` now works with `P3MGPU` (#4506). * The LB grid now supports slicing operations (#4195) and LB slices are equality comparable (#4268). * Lees-Edwards boundary conditions can be used for particle-based simulations (#4457). Lattice-Boltzmann OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python3-espressomd?expand=0&rev=32
2022-07-20 20:34:52 +02:00
endif(WITH_TESTS)
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