Commit Graph

125 Commits

Author SHA1 Message Date
aleksana
571c71e6f7 treewide: migrate packages to pkgs/by-name, take 1
We are migrating packages that meet below requirements:

1. using `callPackage`
2. called path is a directory
3. overriding set is empty (`{ }`)
4. not containing path expressions other than relative path (to
makenixpkgs-vet happy)
5. not referenced by nix files outside of the directory, other
than`pkgs/top-level/all-packages.nix`
6. not referencing nix files outside of the directory
7. not referencing `default.nix` (since it's changed to `package.nix`)
8. `outPath` doesn't change after migration

The tool is here: https://github.com/Aleksanaa/by-name-migrate.
2024-11-09 20:04:51 +08:00
Markus Kowalewski
7d3596a932 gromacs: 2024.3 -> 2024.4 2024-11-04 10:22:15 +01:00
github-actions[bot]
d7d44ff498
Merge master into staging-next 2024-09-30 12:05:43 +00:00
Doron Behar
4c7de259dc lammps: move to pkgs/by-name 2024-09-30 09:10:23 +03:00
Doron Behar
6ccf3b79a3 lammps: nixfmt-rfc-style 2024-09-30 09:10:23 +03:00
Doron Behar
b9d665c1fc lammps: use PYTHON package by default
Makes this warning by PyLammps go away:

> WARNING: run thermo data not captured since PYTHON LAMMPS package is not enabled
2024-09-30 09:10:22 +03:00
Artturin
f0e657f3b1 Merge branch 'master' into staging-next 2024-09-25 06:05:01 +03:00
Artturin
e0464e4788 treewide: replace stdenv.is with stdenv.hostPlatform.is
In preparation for the deprecation of `stdenv.isX`.

These shorthands are not conducive to cross-compilation because they
hide the platforms.

Darwin might get cross-compilation for which the continued usage of `stdenv.isDarwin` will get in the way

One example of why this is bad and especially affects compiler packages
https://www.github.com/NixOS/nixpkgs/pull/343059

There are too many files to go through manually but a treewide should
get users thinking when they see a `hostPlatform.isX` in a place where it
doesn't make sense.

```
fd --type f "\.nix" | xargs sd --fixed-strings "stdenv.is" "stdenv.hostPlatform.is"
fd --type f "\.nix" | xargs sd --fixed-strings "stdenv'.is" "stdenv'.hostPlatform.is"
fd --type f "\.nix" | xargs sd --fixed-strings "clangStdenv.is" "clangStdenv.hostPlatform.is"
fd --type f "\.nix" | xargs sd --fixed-strings "gccStdenv.is" "gccStdenv.hostPlatform.is"
fd --type f "\.nix" | xargs sd --fixed-strings "stdenvNoCC.is" "stdenvNoCC.hostPlatform.is"
fd --type f "\.nix" | xargs sd --fixed-strings "inherit (stdenv) is" "inherit (stdenv.hostPlatform) is"
fd --type f "\.nix" | xargs sd --fixed-strings "buildStdenv.is" "buildStdenv.hostPlatform.is"
fd --type f "\.nix" | xargs sd --fixed-strings "effectiveStdenv.is" "effectiveStdenv.hostPlatform.is"
fd --type f "\.nix" | xargs sd --fixed-strings "originalStdenv.is" "originalStdenv.hostPlatform.is"
```
2024-09-25 00:04:37 +03:00
Aleksana
eaa7682ca1
treewide: fix buildInputs attribute typos (#315204) 2024-09-13 13:00:47 +08:00
Peder Bergebakken Sundt
ad291eff6e raspa-data: remove gzip
the `nativeBuildInputs` had a typo anyway, so it was not in use
2024-09-12 22:39:51 +02:00
Markus Kowalewski
a3f7d83bfb
plumed: 2.9.1 -> 2.9.2 (#339408) 2024-09-12 20:10:16 +02:00
zimbatm
8a74e82c77 gromacsPlumed: 2023 -> 2024.2 2024-09-11 13:00:58 +02:00
Adam C. Stephens
ebd28aa6b9
gromacs: 2024.2 -> 2024.3 (#340350) 2024-09-08 18:25:32 -04:00
Markus Kowalewski
bb8d54a0f0 gromacs: 2024.2 -> 2024.3 2024-09-07 20:26:42 +02:00
R. Ryantm
04cac8ac35 lammps: 2Aug2023_update4 -> 29Aug2024 2024-09-04 11:05:40 +00:00
R. Ryantm
4858b86101 lammps: 2Aug2023_update3 -> 2Aug2023_update4 2024-08-29 03:20:17 +00:00
Doron Behar
f573aaedbb lammps: use lib.cmakeBool for packages cmakeFlags 2024-08-18 14:32:48 +03:00
Doron Behar
03d44579fb lammps: build shared libs 2024-08-18 14:32:29 +03:00
Doron Behar
df2bfebf33 lammps: don't use with lib in meta 2024-08-18 14:15:15 +03:00
Jeremy Schlatter
4a2b827c71
treewide: use cmakeCudaArchitecturesString 2024-06-23 16:51:31 -07:00
Alexis Hildebrandt
755b915a15 treewide: Remove indefinite article from meta.description
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/'
2024-06-09 23:07:45 +02:00
Markus Kowalewski
1eaa9f52bd gromacs: 2024 -> 2024.1 2024-05-13 17:42:15 +02:00
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