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modules.packages: merge molecule mumax lammps to desktop

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This commit is contained in:
陈浩南
2025-06-29 17:26:05 +08:00
parent d2630dc2d2
commit a15ee17f22
7 changed files with 19 additions and 67 deletions
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2
devices/pc/default.nix
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@@ -111,7 +111,7 @@ inputs:
nfs."/" = [ "192.168.84.0/24" ];
};
bugs = [ "xmunet" "backlight" "amdpstate" "iwlwifi" ];
packages = { mathematica = {}; vasp = {}; lammps = {}; };
packages = { mathematica = {}; vasp = {}; };
};
boot.loader.grub =
{

2
devices/srv2/default.nix
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@@ -79,7 +79,7 @@ inputs:
};
};
};
packages = { vasp = {}; mumax = {}; lammps = {}; };
packages.vasp = {};
user.users = [ "chn" "xll" "zem" "yjq" "gb" "wp" "hjp" "wm" "lly" "yxf" "hss" "zzn" "zqq" ];
};
};

10
modules/packages/desktop.nix
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@@ -68,6 +68,16 @@ inputs:
(quantum-espresso.override { stdenv = gcc14Stdenv; gfortran = gfortran14;
wannier90 = inputs.pkgs.wannier90.overrideAttrs { buildFlags = [ "dynlib" ]; }; })
inputs.pkgs.pkgs-2311.hdfview numbat qalculate-qt
(if inputs.config.nixos.system.nixpkgs.cuda != null then inputs.pkgs.localPackages.mumax else null)
(if inputs.config.nixos.system.nixpkgs.cuda != null
then (inputs.pkgs.lammps.override { stdenv = inputs.pkgs.cudaPackages.backendStdenv; }).overrideAttrs (prev:
{
cmakeFlags = prev.cmakeFlags ++
[ "-DPKG_GPU=on" "-DGPU_API=cuda" "-DCMAKE_POLICY_DEFAULT_CMP0146=OLD" ];
nativeBuildInputs = prev.nativeBuildInputs ++ [ inputs.pkgs.cudaPackages.cudatoolkit ];
buildInputs = prev.buildInputs ++ [ inputs.pkgs.mpi ];
})
else inputs.pkgs.lammps-mpi)
# virtualization
virt-viewer bottles wineWowPackages.stagingFull genymotion playonlinux
# media

23
modules/packages/lammps.nix
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@@ -1,23 +0,0 @@
inputs:
{
options.nixos.packages.lammps = let inherit (inputs.lib) mkOption types; in mkOption
{ type = types.nullOr (types.submodule {}); default = null; };
config = let inherit (inputs.config.nixos.packages) lammps; in inputs.lib.mkIf (lammps != null)
{
nixos.packages =
{
molecule = {};
packages._packages =
let cuda = let inherit (inputs.config.nixos.system.nixpkgs) cuda; in cuda.capabilities or null != null;
in
if cuda then [((inputs.pkgs.lammps.override { stdenv = inputs.pkgs.cudaPackages.backendStdenv; })
.overrideAttrs (prev:
{
cmakeFlags = prev.cmakeFlags ++ [ "-DPKG_GPU=on" "-DGPU_API=cuda" "-DCMAKE_POLICY_DEFAULT_CMP0146=OLD" ];
nativeBuildInputs = prev.nativeBuildInputs ++ [ inputs.pkgs.cudaPackages.cudatoolkit ];
buildInputs = prev.buildInputs ++ [ inputs.pkgs.mpi ];
}))]
else [ inputs.pkgs.lammps-mpi ];
};
};
}

20
modules/packages/molecule.nix
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@@ -1,20 +0,0 @@
inputs:
{
options.nixos.packages.molecule = let inherit (inputs.lib) mkOption types; in mkOption
{
type = types.nullOr (types.submodule {});
default = if builtins.elem inputs.config.nixos.model.type [ "desktop" "server" ] then {} else null;
};
config = let inherit (inputs.config.nixos.packages) molecule; in inputs.lib.mkIf (molecule != null)
{
nixos.packages.packages =
{
_packages = with inputs.pkgs;
[ ovito localPackages.vesta localPackages.v-sim localPackages.ufo inputs.pkgs.pkgs-2311.hdfview ];
_pythonPackages = [(pythonPackages: with pythonPackages;
[
phonopy inputs.pkgs.localPackages.phono3py
])];
};
};
}

9
modules/packages/mumax.nix
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@@ -1,9 +0,0 @@
inputs:
{
options.nixos.packages.mumax = let inherit (inputs.lib) mkOption types; in mkOption
{ type = types.nullOr (types.submodule {}); default = null; };
config = let inherit (inputs.config.nixos.packages) mumax; in inputs.lib.mkIf (mumax != null)
{
nixos.packages.packages._packages = [ inputs.pkgs.localPackages.mumax ];
};
}

20
modules/packages/vasp.nix
View File

@@ -4,20 +4,14 @@ inputs:
{ type = types.nullOr (types.submodule {}); default = null; };
config = let inherit (inputs.config.nixos.packages) vasp; in inputs.lib.mkIf (vasp != null)
{
nixos.packages =
nixos.packages.packages = with inputs.pkgs;
{
molecule = {};
packages = with inputs.pkgs;
{
_packages =
(
[ localPackages.vasp.intel localPackages.vasp.vtst localPackages.vaspkit wannier90 ]
++ (inputs.lib.optional
(let inherit (inputs.config.nixos.system.nixpkgs) cuda; in cuda.capabilities or null != null)
localPackages.vasp.nvidia)
);
_pythonPackages = [(_: [ localPackages.py4vasp ])];
};
_packages =
[
localPackages.vasp.intel localPackages.vasp.vtst localPackages.vaspkit wannier90
(if inputs.config.nixos.system.nixpkgs.cuda != null then localPackages.vasp.nvidia else null)
];
_pythonPackages = [(_: [ localPackages.py4vasp ])];
};
};
}