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plumed: init at 2.8.2

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plumed: fix build
This commit is contained in:
Phillip Seeber 2023-03-15 11:31:03 +01:00
parent 3fe36f47bd
commit c20b4b62b3
2 changed files with 36 additions and 0 deletions
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34
pkgs/development/libraries/science/chemistry/plumed/default.nix Normal file
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@ -0,0 +1,34 @@
{ stdenv
, lib
, fetchFromGitHub
, blas
}:
assert !blas.isILP64;
stdenv.mkDerivation rec {
pname = "plumed";
version = "2.8.2";
src = fetchFromGitHub {
owner = "plumed";
repo = "plumed2";
rev = "v${version}";
hash = "sha256-ugYhJq8KFjT8rkAOX/yZ9IlEklXCwRxKH49REd2QN9E=";
};
postPatch = ''
patchShebangs .
'';
buildInputs = [ blas ];
enableParallelBuilding = true;
meta = with lib; {
description = "Molecular metadynamics library";
homepage = "https://github.com/plumed/plumed2";
license = licenses.lgpl3Only;
maintainers = [ maintainers.sheepforce ];
};
}

2
pkgs/top-level/all-packages.nix
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@ -24224,6 +24224,8 @@ with pkgs;
mail = callPackage ../development/libraries/gsignond/plugins/mail.nix { };
};
plumed = callPackage ../development/libraries/science/chemistry/plumed { };
### DEVELOPMENT / LIBRARIES / AGDA
agdaPackages = callPackage ./agda-packages.nix {