Files
nixpkgs/pkgs/by-name/pl/plumed/package.nix
2026-09-29 13:22:10 +00:00

52 lines
908 B
Nix

{
stdenv,
lib,
fetchFromGitHub,
blas,
# passthru
python3Packages,
nix-update-script,
}:
assert !blas.isILP64;
stdenv.mkDerivation (finalAttrs: {
pname = "plumed";
version = "2.10.1";
__structuredAttrs = true;
strictDeps = true;
src = fetchFromGitHub {
owner = "plumed";
repo = "plumed2";
rev = "v${finalAttrs.version}";
hash = "sha256-K22IE4bMk6b96Ac2yA2+dfGqy4BeoRuymYBk5hwrVok=";
};
postPatch = ''
patchShebangs .
'';
buildInputs = [ blas ];
enableParallelBuilding = true;
passthru = {
tests = {
pythonPackage = python3Packages.plumed;
};
updateScript = nix-update-script { };
};
meta = {
description = "Molecular metadynamics library";
homepage = "https://github.com/plumed/plumed2";
license = lib.licenses.lgpl3Only;
maintainers = [ lib.maintainers.sheepforce ];
mainProgram = "plumed";
};
})