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AgeCommit message (Expand)AuthorFilesLines
2024-03-30lammps: use pkgs.autoAddDriverRunpathJonathan Ringer1-2/+2
2024-03-19Merge pull request #281576 from yannham/refactor/cuda-setup-hooks-refactorSomeone1-1/+1
2024-03-19treewide: add meta.mainProgram to packages with a single binarystuebinm1-0/+1
2024-03-15cudaPackages: generalize and refactor setup hookYann Hamdaoui1-1/+1
2024-03-05gromacs: 2024 -> 2024.1Markus Kowalewski1-2/+2
2024-03-02lammps-mpi: 2Aug2023_update2 -> 2Aug2023_update3R. Ryantm1-2/+2
2024-02-22gromacs: require single precssion when building with CUDAMarkus Kowalewski1-0/+4
2024-02-22gromacs: fix CUDA buildMarkus Kowalewski1-0/+1
2024-02-02gromacs: fix build on Darwin, add OpenMP for DarwinMarkus Kowalewski1-1/+2
2024-02-01gromacs: 2023.3 -> 2024Markus Kowalewski1-2/+2
2023-12-24lammps: fix homepage and licenseMarkus Kowalewski1-2/+2
2023-12-18Merge pull request #274646 from r-ryantm/auto-update/lammps-mpiDoron Behar1-2/+2
2023-12-16lammps-mpi: 2Aug2023_update1 -> 2Aug2023_update2R. Ryantm1-2/+2
2023-12-11dl-poly-classic-mpi: fix build with gcc 11+Weijia Wang1-1/+4
2023-12-04gromacs: drop cudatoolkit.runSomeone Serge1-5/+27
2023-11-15gromacs: add the plumed patcheszimbatm1-4/+25
2023-10-20gromacs: 2023.2 -> 2023.3R. Ryantm1-2/+2
2023-10-08gromacs: split outputsMarkus Kowalewski2-4/+30
2023-09-27lammps: 23Jun2022_update4 -> 2Aug2023_update1Doron Behar1-3/+4
2023-09-21treewide: use finalAttrs in all packages I maintain (#255902)Doron Behar1-3/+3
2023-08-23viennarna: rename from ViennaRNAnatsukium1-2/+2
2023-08-05Merge pull request #247122 from doronbehar/pkg/lammpsDoron Behar1-2/+2
2023-08-05gromacs: update metaAndrey Alekseenko1-2/+2
2023-08-04lammps: 23Jun2022_update4 -> 2Aug2023Doron Behar1-2/+2
2023-07-27lammps: always enable cuda opengl runpath supportDoron Behar1-0/+4
2023-07-27lammps: Install vim and neovim filesDoron Behar1-1/+6
2023-07-27lammps: Add meta.mainProgramDoron Behar1-0/+1
2023-07-25Merge pull request #224068 from SomeoneSerge/respect-config-cudaSupportConnor Baker1-1/+2
2023-07-22gromacs: 2023.1 -> 2023.2R. Ryantm1-2/+2
2023-07-20treewide: consume config.cudaSupport as requiredSomeone Serge1-1/+1
2023-07-20tree-wide: 'enableCuda ? false' -> 'config.cudaSupport or false' to respect g...Someone Serge1-1/+2
2023-06-21lammps-mpi: Use a generic extraBuildInputs instead of withMpiDoron Behar1-8/+20
2023-06-07lammps: Add backwards compatible link to lmp_serialDoron Behar1-0/+5
2023-06-07lammps: mark as broken for 32 bit lapack & blasDoron Behar1-0/+4
2023-06-04lammps: 29Oct2020 -> 23Jun2022_update4Doron Behar1-34/+56
2023-06-03lammps: Add doronbehar as maintainerDoron Behar1-1/+1
2023-04-23gromacs: 2023 -> 2023.1Markus Kowalewski1-2/+2
2023-04-03raspa: init at 2.0.47 and add testsShamrock Lee2-0/+112
2023-02-19treewide:replace http by https when https is a permanent redirectionFerry Jérémie1-1/+1
2023-02-08gromacs: 2022.4 -> 2023Markus Kowalewski1-2/+2
2023-01-22treewide: replace http by https when https is a permanent redirectionFerry Jérémie1-1/+1
2022-12-17treewide: fix typosfigsoda1-1/+1
2022-12-02ViennaRNA: 2.4.18 -> 2.5.1Weijia Wang1-5/+3
2022-11-18gromacs: 2022.3 -> 2022.4Markus Kowalewski1-2/+2
2022-09-28gromacs*: fixup paths in .pc filesVladimír Čunát1-0/+6
2022-09-05gromacs: 2022.2 -> 2022.3R. Ryantm1-2/+2
2022-06-17gromacs: 2022.1 -> 2022.2Markus Kowalewski1-2/+2
2022-04-25gromacs: 2022 -> 2022.1R. Ryantm1-2/+2
2022-02-23gromacs: 2021.5 -> 2022Markus Kowalewski1-2/+2
2022-01-17gromacs: 2021.4 -> 2021.5Markus Kowalewski1-2/+2
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