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path: root/pkgs/applications/science/molecular-dynamics
Commit message (Expand)AuthorAge
* Merge pull request #247122 from doronbehar/pkg/lammpsDoron Behar2023-08-05
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| * lammps: 23Jun2022_update4 -> 2Aug2023Doron Behar2023-08-04
* | gromacs: update metaAndrey Alekseenko2023-08-05
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* lammps: always enable cuda opengl runpath supportDoron Behar2023-07-27
* lammps: Install vim and neovim filesDoron Behar2023-07-27
* lammps: Add meta.mainProgramDoron Behar2023-07-27
* Merge pull request #224068 from SomeoneSerge/respect-config-cudaSupportConnor Baker2023-07-25
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| * treewide: consume config.cudaSupport as requiredSomeone Serge2023-07-20
| * tree-wide: 'enableCuda ? false' -> 'config.cudaSupport or false' to respect g...Someone Serge2023-07-20
* | gromacs: 2023.1 -> 2023.2R. Ryantm2023-07-22
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* lammps-mpi: Use a generic extraBuildInputs instead of withMpiDoron Behar2023-06-21
* lammps: Add backwards compatible link to lmp_serialDoron Behar2023-06-07
* lammps: mark as broken for 32 bit lapack & blasDoron Behar2023-06-07
* lammps: 29Oct2020 -> 23Jun2022_update4Doron Behar2023-06-04
* lammps: Add doronbehar as maintainerDoron Behar2023-06-03
* gromacs: 2023 -> 2023.1Markus Kowalewski2023-04-23
* raspa: init at 2.0.47 and add testsShamrock Lee2023-04-03
* treewide:replace http by https when https is a permanent redirectionFerry Jérémie2023-02-19
* gromacs: 2022.4 -> 2023Markus Kowalewski2023-02-08
* treewide: replace http by https when https is a permanent redirectionFerry Jérémie2023-01-22
* treewide: fix typosfigsoda2022-12-17
* ViennaRNA: 2.4.18 -> 2.5.1Weijia Wang2022-12-02
* gromacs: 2022.3 -> 2022.4Markus Kowalewski2022-11-18
* gromacs*: fixup paths in .pc filesVladimír Čunát2022-09-28
* gromacs: 2022.2 -> 2022.3R. Ryantm2022-09-05
* gromacs: 2022.1 -> 2022.2Markus Kowalewski2022-06-17
* gromacs: 2022 -> 2022.1R. Ryantm2022-04-25
* gromacs: 2021.5 -> 2022Markus Kowalewski2022-02-23
* gromacs: 2021.4 -> 2021.5Markus Kowalewski2022-01-17
* gromacs: fix double precission build on aarch64Markus Kowalewski2021-11-28
* gromacs: 2021.3 -> 2021.4Markus Kowalewski2021-11-09
* gromacs: fix formattingSandro Jäckel2021-10-28
* gromacs: replace lib.lists.optional with lib.optionalSandro Jäckel2021-10-28
* gromacs: bool switches for MPI and CUDAPhillip Seeber2021-10-28
* gromacs: 2020.4 -> 2021.3, cuda, mpi cleanups, performance tuningsPhillip Seeber2021-10-28
* dl-poly-classic: move gfortran to nativeBuildInputsMarkus Kowalewski2021-09-03
* lammps: update GPL2 license fieldMarkus Kowalewski2021-06-02
* lammps: stable_22Aug2018 -> stable_29Oct2020Markus Kowalewski2021-06-02
* ViennaRNA: 2.4.17 -> 2.4.18Pavol Rusnak2021-05-26
* mpi: use mpi attribute consistently as the default MPI implementationsMarkus Kowalewski2021-01-23
* treewide: stdenv.lib -> libBen Siraphob2021-01-16
* treewide: with stdenv.lib; in meta -> with lib;Profpatsch2021-01-11
* ViennaRNA: init at 2.4.17Pavol Rusnak2021-01-02
* gromacs: fix SIMD flags, and OpenMPMarkus Kowalewski2020-11-27
* gromacs: 2020.3 -> 2020.4R. RyanTM2020-11-01
* gromacs: 2020.2 -> 2020.3R. RyanTM2020-07-13
* gromacs: 2020.1 -> 2020.2R. RyanTM2020-05-05
* treewide: use blas and lapackMatthew Bauer2020-04-17
* treewide: Per RFC45, remove all unquoted URLsMichael Reilly2020-04-10
* gromacs: 2020 -> 2020.1R. RyanTM2020-03-04
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