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2024-06-09treewide: Remove indefinite article from meta.descriptionAlexis Hildebrandt1-1/+1
nix run nixpkgs#silver-searcher -- -G '\.nix$' -0l 'description.*"[Aa]n?' pkgs \ | xargs -0 nix run nixpkgs#gnused -- -i '' -Ee 's/(description.*")[Aa]n? (.)/\1\U\2/'
2024-05-13gromacs: 2024 -> 2024.1Markus Kowalewski1-2/+2
2024-03-30lammps: use pkgs.autoAddDriverRunpathJonathan Ringer1-2/+2
2024-03-19Merge pull request #281576 from yannham/refactor/cuda-setup-hooks-refactorSomeone1-1/+1
cudaPackages: generalize and refactor setup hooks
2024-03-19treewide: add meta.mainProgram to packages with a single binarystuebinm1-0/+1
The nixpkgs-unstable channel's programs.sqlite was used to identify packages producing exactly one binary, and these automatically added to their package definitions wherever possible.
2024-03-15cudaPackages: generalize and refactor setup hookYann Hamdaoui1-1/+1
This PR refactor CUDA setup hooks, and in particular autoAddOpenGLRunpath and autoAddCudaCompatRunpathHook, that were using a lot of code in common (in fact, I introduced the latter by copy pasting most of the bash script of the former). This is not satisfying for maintenance, as a recent patch showed, because we need to duplicate changes to both hooks. This commit abstract the common part in a single shell script that applies a generic patch action to every elf file in the output. For autoAddOpenGLRunpath the action is just addOpenGLRunpath (now addDriverRunpath), and is few line function for autoAddCudaCompatRunpathHook. Doing so, we also takes the occasion to use the newer addDriverRunpath instead of the previous addOpenGLRunpath, and rename the CUDA hook to reflect that as well. Co-Authored-By: Connor Baker <connor.baker@tweag.io>
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
Gromacs enables OpenMP by default and fails its configure if it can not build with OpenMP.
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
lammps-mpi: 2Aug2023_update1 -> 2Aug2023_update2
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
plumed 2.9.0 only supports gromacs-2023 so I had to downgrade the package as well.
2023-10-20gromacs: 2023.2 -> 2023.3R. Ryantm1-2/+2
2023-10-08gromacs: split outputsMarkus Kowalewski2-4/+30
fix patching of pkgconfig files
2023-09-27lammps: 23Jun2022_update4 -> 2Aug2023_update1Doron Behar1-3/+4
Diff: https://github.com/lammps/lammps/compare/stable_23Jun2022_update4...stable_2Aug2023_update1
2023-09-21treewide: use finalAttrs in all packages I maintain (#255902)Doron Behar1-3/+3
* mpd-touch-screen-gui: use finalAttrs in mkDerivation; reformat * musescore: use finalAttrs in mkDerivation * syncthingtray: use stdenv.mkDerivation with a function; reformat * ocrfeeder: use finalAttrs in mkDerivation; reformat * castget: use finalAttrs in mkDerivation * gnome-network-displays: use finalAttrs in mkDerivation * mailreaders: use finalAttrs in mkDerivation * mswatch: use finalAttrs in mkDerivation * uhd: use finalAttrs in mkDerivation * maxima: use finalAttrs in mkDerivation * qalculate-gtk: use finalAttrs in mkDerivation * qalculate-qt: use finalAttrs in mkDerivation * wxmaxima: use finalAttrs in mkDerivation * lammps: use finalAttrs in mkDerivation * mlterm: use finalAttrs in mkDerivation * video-trimmer: use finalAttrs in mkDerivation * nerdfonts: use finalAttrs in mkDerivation * gnomeExtensions.easyScreenCast: use finalAttrs in mkDerivation * octave: use finalAttrs in mkDerivation; reformat * comedilib: use finalAttrs in mkDerivation * cpp-utilities: use finalAttrs in mkDerivation * libsForQt5.kpeoplevcard: use finalAttrs in mkDerivation; reformat * liberio: use finalAttrs in mkDerivation * libqalculate: use finalAttrs in mkDerivation; reformat * libwtk-sdl2: use finalAttrs in mkDerivation * libsForQt5.pulseaudio-qt: use finalAttrs in mkDerivation; reformat * qrupdate: use finalAttrs in mkDerivation; reformat * libsForQt5.qtforkawesome: use finalAttrs in mkDerivation; reformat * libsForQt5.qtutilities: use finalAttrs in mkDerivation; reformat * sqlitecpp: use finalAttrs in mkDerivation; reformat * tweeny: use finalAttrs in mkDerivation * volk: use finalAttrs in mkDerivation * wiringpi: use finalAttrs in mkDerivation * snzip: use finalAttrs in mkDerivation; reformat * bpm-tools: use finalAttrs in mkDerivation; reformat * sacd: use finalAttrs in mkDerivation * gtk-gnutella: use finalAttrs in mkDerivation; reformat * sile: use finalAttrs in mkDerivation * pplatex: use finalAttrs in mkDerivation; reformat
2023-08-23viennarna: rename from ViennaRNAnatsukium1-2/+2
2023-08-05Merge pull request #247122 from doronbehar/pkg/lammpsDoron Behar1-2/+2
lammps: 23Jun2022_update4 -> 2Aug2023
2023-08-05gromacs: update metaAndrey Alekseenko1-2/+2
- license is now lgpl21Plus - accurate longDescription
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
Respect global config.cudaSupport
2023-07-22gromacs: 2023.1 -> 2023.2R. Ryantm1-2/+2
2023-07-20treewide: consume config.cudaSupport as requiredSomeone Serge1-1/+1
Eliminate uses of `config.cudaSupport or false` and alike, since the option is now declared in config.nix with a default value fd .nix -t f -x sed 's/config\.cudaSupport or false, cudaPackages [?] [{][}]/config.cudaSupport, cudaPackages ? { }/' '{}' -i fd .nix -t f -x sed 's/config\.cudaSupport or false/config.cudaSupport/' '{}' -i fd .nix -t f -x sed 's/cudaSupport = pkgs.config.cudaSupport/inherit (pkgs.config) cudaSupport/' '{}' -i fd .nix -t f -x sed 's/cudaSupport = config.cudaSupport/inherit (config) cudaSupport/' '{}' -i
2023-07-20tree-wide: 'enableCuda ? false' -> 'config.cudaSupport or false' to respect ↵Someone Serge1-1/+2
global defaults
2023-06-21lammps-mpi: Use a generic extraBuildInputs instead of withMpiDoron Behar1-8/+20
Add support for `extraCmakeFlags` as well and add `pkg-config` to `nativeBuildInputs`.
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
generated by cgit-pink 1.4.1 (git 2.36.1) at 2024-09-08 09:45:25 +0000