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path: root/pkgs/applications/science/molecular-dynamics
AgeCommit message (Expand)Author
2022-04-25gromacs: 2022 -> 2022.1R. Ryantm
2022-02-23gromacs: 2021.5 -> 2022Markus Kowalewski
2022-01-17gromacs: 2021.4 -> 2021.5Markus Kowalewski
2021-11-28gromacs: fix double precission build on aarch64Markus Kowalewski
2021-11-09gromacs: 2021.3 -> 2021.4Markus Kowalewski
2021-10-28gromacs: fix formattingSandro Jäckel
2021-10-28gromacs: replace lib.lists.optional with lib.optionalSandro Jäckel
2021-10-28gromacs: bool switches for MPI and CUDAPhillip Seeber
2021-10-28gromacs: 2020.4 -> 2021.3, cuda, mpi cleanups, performance tuningsPhillip Seeber
2021-09-03dl-poly-classic: move gfortran to nativeBuildInputsMarkus Kowalewski
2021-06-02lammps: update GPL2 license fieldMarkus Kowalewski
2021-06-02lammps: stable_22Aug2018 -> stable_29Oct2020Markus Kowalewski
2021-05-26ViennaRNA: 2.4.17 -> 2.4.18Pavol Rusnak
2021-01-23mpi: use mpi attribute consistently as the default MPI implementationsMarkus Kowalewski
2021-01-16treewide: stdenv.lib -> libBen Siraphob
2021-01-11treewide: with stdenv.lib; in meta -> with lib;Profpatsch
2021-01-02ViennaRNA: init at 2.4.17Pavol Rusnak
2020-11-27gromacs: fix SIMD flags, and OpenMPMarkus Kowalewski
2020-11-01gromacs: 2020.3 -> 2020.4R. RyanTM
2020-07-13gromacs: 2020.2 -> 2020.3R. RyanTM
2020-05-05gromacs: 2020.1 -> 2020.2R. RyanTM
2020-04-17treewide: use blas and lapackMatthew Bauer
2020-04-10treewide: Per RFC45, remove all unquoted URLsMichael Reilly
2020-03-04gromacs: 2020 -> 2020.1R. RyanTM
2020-01-06gromacs: 2019.4 -> 2020R. RyanTM
2019-12-30treewide: fix *FlagsRobin Gloster
2019-10-07gromacs: add perl to buildInputsMarkus Kowalewski
2019-10-07gromacs: 2019.3 -> 2019.4R. RyanTM
2019-09-08treewide: remove redundant quotesvolth
2019-08-28treewide: remove redundant recvolth
2019-08-15treewide: name -> pname (easy cases) (#66585)volth
2019-06-16gromacs: 2019.2 -> 2019.3R. RyanTM
2019-05-01gromacs: 2019.1 -> 2019.2R. RyanTM
2019-03-22gromacs: 2019 -> 2019.1R. RyanTM
2019-01-03gromacs: 2018.4 -> 2019R. RyanTM
2018-11-19gromacs: 2018.3 -> 2018.4R. RyanTM
2018-10-15lammps: patch_2Aug2018 -> stable_22Aug2018Chris Ostrouchov
2018-10-15dl-poly-classic: init 1.10Chris Ostrouchov
2018-09-12gromacs: 2018.2 -> 2018.3 (#46275)R. RyanTM
2018-08-10lammps: 16Feb16 -> patch_2Aug2018Chris Ostrouchov
2018-06-27gromacs: 2018.1 -> 2018.2 (#42504)R. RyanTM
2018-06-08gromacs: 2018 -> 2018.1R. RyanTM
2018-03-08gromacs: 4.6.7 -> 2018Ryan Mulligan
2017-08-01pkgs: refactor needless quoting of homepage meta attribute (#27809)Silvan Mosberger
2016-08-02treewide: Add lots of meta.platformsTuomas Tynkkynen
2016-04-01lammps: init at 2016-02-16Chris Ostrouchov
2016-02-24gromacs: 4.6.5 -> 4.6.7 + MPI supportBruno Bzeznik Bruno.Bzeznik@imag.fr
2015-05-28Don't use "with licenses;" for single licencesTobias Geerinckx-Rice
2015-05-27Use common licence attributes from lib/licenses.nixTobias Geerinckx-Rice
2014-08-24Fix many package descriptionsBjørn Forsman
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