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AgeCommit message (Expand)AuthorFilesLines
2024-06-23treewide: use cmakeCudaArchitecturesStringJeremy Schlatter1-3/+3
2024-05-13gromacs: 2024 -> 2024.1Markus Kowalewski1-2/+2
2024-03-05gromacs: 2024 -> 2024.1Markus Kowalewski1-2/+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
2023-12-04gromacs: 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
2023-08-05gromacs: update metaAndrey Alekseenko1-2/+2
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
2023-04-23gromacs: 2023 -> 2023.1Markus Kowalewski1-2/+2
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
2022-11-18gromacs: 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
2021-11-28gromacs: fix double precission build on aarch64Markus Kowalewski1-1/+1
2021-11-09gromacs: 2021.3 -> 2021.4Markus Kowalewski1-2/+2
2021-10-28gromacs: fix formattingSandro Jäckel1-5/+5
2021-10-28gromacs: replace lib.lists.optional with lib.optionalSandro Jäckel1-5/+5
2021-10-28gromacs: bool switches for MPI and CUDAPhillip Seeber1-9/+9
2021-10-28gromacs: 2020.4 -> 2021.3, cuda, mpi cleanups, performance tuningsPhillip Seeber1-21/+31
2021-01-23mpi: use mpi attribute consistently as the default MPI implementationsMarkus Kowalewski1-2/+2
2021-01-16treewide: stdenv.lib -> libBen Siraphob1-1/+1
2021-01-11treewide: with stdenv.lib; in meta -> with lib;Profpatsch1-2/+2
2020-11-27gromacs: fix SIMD flags, and OpenMPMarkus Kowalewski1-9/+25
2020-11-01gromacs: 2020.3 -> 2020.4R. RyanTM1-3/+3
2020-07-13gromacs: 2020.2 -> 2020.3R. RyanTM1-3/+3
2020-05-05gromacs: 2020.1 -> 2020.2R. RyanTM1-3/+3
2020-03-04gromacs: 2020 -> 2020.1R. RyanTM1-3/+3
2020-01-06gromacs: 2019.4 -> 2020R. RyanTM1-3/+3
2019-12-30treewide: fix *FlagsRobin Gloster1-12/+22
2019-10-07gromacs: add perl to buildInputsMarkus Kowalewski1-9/+10
2019-10-07gromacs: 2019.3 -> 2019.4R. RyanTM1-3/+3
2019-06-16gromacs: 2019.2 -> 2019.3R. RyanTM1-3/+3
2019-05-01gromacs: 2019.1 -> 2019.2R. RyanTM1-3/+3
2019-03-22gromacs: 2019 -> 2019.1R. RyanTM1-3/+3
2019-01-03gromacs: 2018.4 -> 2019R. RyanTM1-3/+3
2018-11-19gromacs: 2018.3 -> 2018.4R. RyanTM1-3/+3
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