| ID | 91830 | ||||||||||||||||||||||||||||||||
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| Package Name | gromacs | ||||||||||||||||||||||||||||||||
| Version | 2026.0 | ||||||||||||||||||||||||||||||||
| Release | 1.0.riscv64.fc44 | ||||||||||||||||||||||||||||||||
| Epoch | |||||||||||||||||||||||||||||||||
| Draft | False | ||||||||||||||||||||||||||||||||
| Source | git+http://fedora.riscv.rocks:3000/rpms/gromacs.git#ec32237ae6f24687a1d51297152564bd6d881e03 | ||||||||||||||||||||||||||||||||
| Summary | Fast, Free and Flexible Molecular Dynamics | ||||||||||||||||||||||||||||||||
| Description | GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun. | ||||||||||||||||||||||||||||||||
| Built by | hrw | ||||||||||||||||||||||||||||||||
| State | complete | ||||||||||||||||||||||||||||||||
| Volume | DEFAULT | ||||||||||||||||||||||||||||||||
| Started | Tue, 16 Jun 2026 16:08:48 UTC | ||||||||||||||||||||||||||||||||
| Completed | Fri, 19 Jun 2026 02:40:52 UTC | ||||||||||||||||||||||||||||||||
| Task | build (f44, /rpms/gromacs.git:ec32237ae6f24687a1d51297152564bd6d881e03) | ||||||||||||||||||||||||||||||||
| Extra | {'source': {'original_url': 'git+http://fedora.riscv.rocks:3000/rpms/gromacs.git#ec32237ae6f24687a1d51297152564bd6d881e03'}} | ||||||||||||||||||||||||||||||||
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| Changelog | * Tue Jun 16 2026 Marcin Juszkiewicz <mjuszkiewicz@redhat.com> - 2026.0-1.0.riscv64 - Cmake4 fix * Mon Jan 19 2026 Fedora Release Monitoring <release-monitoring@fedoraproject.org> - 2026.0-1 - Update to 2026.0 - Fixes: rhbz#2430950 * Fri Jan 16 2026 Fedora Release Engineering <releng@fedoraproject.org> - 2025.4-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild * Fri Nov 21 2025 Fedora Release Monitoring <release-monitoring@fedoraproject.org> - 2025.4-1 - Update to 2025.4 - Fixes: rhbz#2416400 * Fri Sep 19 2025 Christoph Junghans <junghans@votca.org> - 2025.3-2 - Rebuild for lmfit-10 * Fri Aug 29 2025 Fedora Release Monitoring <release-monitoring@fedoraproject.org> - 2025.3-1 - Update to 2025.3 - Fixes: rhbz#2391793 * Wed Aug 13 2025 Christoph Junghans <junghans@votca.org> - 2025.2-1 - Version bump to v2025.2 - Fixes: rhbz#2344854 - Fixes: rhbz#2380485 * Thu Jul 24 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2024.5-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild * Sat Jan 25 2025 Christoph Junghans <junghans@votca.org> - 2024.5-1 - Version bump to v2024.5 (bug #2341964) * Fri Jan 24 2025 Christoph Junghans <junghans@votca.org> - 2024.4-4 - Fix build with gcc-15 (bug #2340576) - Drop heffte support again, only work with cuda for now * Fri Jan 17 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2024.4-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild * Thu Dec 12 2024 Andrey Alekseenko <al42and@gmail.com> - 2024.4-2 - Correct SPDX license ID - Update build-time CMake dependency and remove X11 dependency - Remove unused CMake argument - Remove unused bundled code - Add overscribe environment variable for openmpi 5+ * Fri Nov 01 2024 Christoph Junghans <junghans@votca.org> - 2024.4-1 - Version bump to v2024.4 (bug #2322950) - Enable HeFFTE support * Tue Sep 03 2024 Christoph Junghans <junghans@votca.org> - 2024.3-1 - Version bump to v2024.3 (bug #2309068) * Fri Jul 26 2024 Miroslav Suchý <msuchy@redhat.com> - 2024.1-3 - convert license to SPDX * Thu Jul 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2024.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |