Commit Graph

103 Commits

Author SHA1 Message Date
Jonathan Ringer
e31bb0051f
lammps: use pkgs.autoAddDriverRunpath 2024-03-30 10:26:13 -07:00
Someone
e7797267a2
Merge pull request #281576 from yannham/refactor/cuda-setup-hooks-refactor
cudaPackages: generalize and refactor setup hooks
2024-03-19 20:06:18 +00:00
stuebinm
ff1a94e523 treewide: add meta.mainProgram to packages with a single binary
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.
2024-03-19 03:14:51 +01:00
Yann Hamdaoui
63746cac08
cudaPackages: generalize and refactor setup hook
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>
2024-03-15 15:54:21 +01:00
Markus Kowalewski
d73e602b44 gromacs: 2024 -> 2024.1 2024-03-05 14:38:54 +01:00
R. Ryantm
16d5b925a8 lammps-mpi: 2Aug2023_update2 -> 2Aug2023_update3 2024-03-02 20:33:42 +00:00
Markus Kowalewski
f6616d2e3a gromacs: require single precssion when building with CUDA 2024-02-22 17:47:11 +01:00
Markus Kowalewski
eb93eb95ac gromacs: fix CUDA build 2024-02-22 17:39:02 +01:00
Markus Kowalewski
13eb3a2abe gromacs: fix build on Darwin, add OpenMP for Darwin
Gromacs enables OpenMP by default and fails its configure
if it can not build with OpenMP.
2024-02-02 11:02:55 +01:00
Markus Kowalewski
e7ea94137c gromacs: 2023.3 -> 2024 2024-02-01 10:55:43 +01:00
Markus Kowalewski
2058c3a373 lammps: fix homepage and license 2023-12-24 23:05:00 +01:00
Doron Behar
b4f9bed389
Merge pull request #274646 from r-ryantm/auto-update/lammps-mpi
lammps-mpi: 2Aug2023_update1 -> 2Aug2023_update2
2023-12-18 08:49:41 +00:00
R. Ryantm
bebc9fc5db lammps-mpi: 2Aug2023_update1 -> 2Aug2023_update2 2023-12-16 06:40:55 +00:00
Weijia Wang
bf4d34ba62 dl-poly-classic-mpi: fix build with gcc 11+ 2023-12-11 19:01:06 +01:00
Someone Serge
31f1b517cd
gromacs: drop cudatoolkit.run 2023-12-04 20:24:32 +00:00
zimbatm
21c4107d3e gromacs: add the plumed patches
plumed 2.9.0 only supports gromacs-2023 so I had to downgrade the
package as well.
2023-11-15 18:28:24 +01:00
R. Ryantm
1daf6722ed gromacs: 2023.2 -> 2023.3 2023-10-20 09:17:18 +00:00
Markus Kowalewski
e3638150f2 gromacs: split outputs
fix patching of pkgconfig files
2023-10-08 11:29:14 +02:00
Doron Behar
2112a277f9 lammps: 23Jun2022_update4 -> 2Aug2023_update1
Diff: https://github.com/lammps/lammps/compare/stable_23Jun2022_update4...stable_2Aug2023_update1
2023-09-27 17:18:14 +03:00
Doron Behar
8ace65ff3d
treewide: use finalAttrs in all packages I maintain (#255902)
* 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
2023-09-21 11:31:17 +03:00
natsukium
ae0bfcb156
viennarna: rename from ViennaRNA 2023-08-23 16:54:10 +09:00
Doron Behar
82326d676d
Merge pull request #247122 from doronbehar/pkg/lammps
lammps: 23Jun2022_update4 -> 2Aug2023
2023-08-05 08:00:23 +00:00
Andrey Alekseenko
2f707365e2 gromacs: update meta
- license is now lgpl21Plus
- accurate longDescription
2023-08-05 00:44:04 +00:00
Doron Behar
4939850514 lammps: 23Jun2022_update4 -> 2Aug2023 2023-08-04 17:48:40 +03:00
Doron Behar
eae54103ca lammps: always enable cuda opengl runpath support 2023-07-27 18:51:41 +03:00
Doron Behar
10e7c631c8 lammps: Install vim and neovim files 2023-07-27 18:44:01 +03:00
Doron Behar
6051ebe0ce lammps: Add meta.mainProgram 2023-07-27 18:44:01 +03:00
Connor Baker
495875182e
Merge pull request #224068 from SomeoneSerge/respect-config-cudaSupport
Respect global config.cudaSupport
2023-07-25 14:18:14 -04:00
R. Ryantm
edb213c399 gromacs: 2023.1 -> 2023.2 2023-07-22 15:07:37 +00:00
Someone Serge
471dbe9bcf
treewide: consume config.cudaSupport as required
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
2023-07-20 18:08:19 +03:00
Someone Serge
74549ec63b
tree-wide: 'enableCuda ? false' -> 'config.cudaSupport or false' to respect global defaults 2023-07-20 17:27:07 +03:00
Doron Behar
4a64b8d9f3 lammps-mpi: Use a generic extraBuildInputs instead of withMpi
Add support for `extraCmakeFlags` as well and add `pkg-config` to
`nativeBuildInputs`.
2023-06-21 23:03:57 +03:00
Doron Behar
9c99223666 lammps: Add backwards compatible link to lmp_serial 2023-06-07 18:09:36 +03:00
Doron Behar
64bed841a9 lammps: mark as broken for 32 bit lapack & blas 2023-06-07 18:09:36 +03:00
Doron Behar
66c6053b10 lammps: 29Oct2020 -> 23Jun2022_update4 2023-06-04 01:29:54 +03:00
Doron Behar
4994570ab3 lammps: Add doronbehar as maintainer 2023-06-03 15:40:20 +03:00
Markus Kowalewski
6cc2ab022a
gromacs: 2023 -> 2023.1 2023-04-23 21:36:32 +02:00
Shamrock Lee
4e72d111e9 raspa: init at 2.0.47 and add tests 2023-04-03 20:53:23 +08:00
Ferry Jérémie
bfac2d0034 treewide:replace http by https when https is a permanent redirection 2023-02-19 21:47:59 +01:00
Markus Kowalewski
2379d34aa0
gromacs: 2022.4 -> 2023 2023-02-08 14:10:27 +01:00
Ferry Jérémie
65d7e87fdb treewide: replace http by https when https is a permanent redirection 2023-01-22 02:46:49 +01:00
figsoda
ec8cb34358 treewide: fix typos 2022-12-17 19:39:44 -05:00
Weijia Wang
df1810c6e8 ViennaRNA: 2.4.18 -> 2.5.1 2022-12-02 18:20:04 +01:00
Markus Kowalewski
57d39374e2
gromacs: 2022.3 -> 2022.4 2022-11-18 14:37:22 +01:00
Vladimír Čunát
7ddee326c2
gromacs*: fixup paths in .pc files 2022-09-28 16:48:34 +02:00
R. Ryantm
53a4c0bec3 gromacs: 2022.2 -> 2022.3 2022-09-05 15:04:40 +00:00
Markus Kowalewski
b4c6da2ee5
gromacs: 2022.1 -> 2022.2 2022-06-17 10:54:56 +02:00
R. Ryantm
0d56b692fa gromacs: 2022 -> 2022.1 2022-04-25 11:09:40 +00:00
Markus Kowalewski
469ae42107
gromacs: 2021.5 -> 2022 2022-02-23 14:47:26 +01:00
Markus Kowalewski
17d0b66cf6
gromacs: 2021.4 -> 2021.5 2022-01-17 15:50:31 +01:00