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Copy pathflake.nix
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63 lines (56 loc) · 1.54 KB
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{
description = "Parsers and algorithms for computational chemistry logfiles";
inputs = {
nixpkgs.url = "github:nixos/nixpkgs/nixpkgs-unstable";
qchem.url = "github:nix-qchem/nixos-qchem";
flake-utils.url = "github:numtide/flake-utils";
};
nixConfig = {
bash-prompt = "\\[\\e[0;1;38;5;214m\\]cclib\\[\\e[0;1m\\]:\\[\\e[0;1;38;5;39m\\]\\w\\[\\e[0;1m\\]$ \\[\\e[0m\\]";
};
outputs = { self, nixpkgs, qchem, flake-utils }:
let
overlay = import ./nix/overlay.nix;
in
flake-utils.lib.eachDefaultSystem
(system:
let
pkgs = import nixpkgs {
inherit system;
overlays = [
qchem.overlays.default
overlay
];
};
in
{
packages.default = pkgs.python3.pkgs.cclib;
devShells.default =
let
pyEnv = pkgs.python3.withPackages (p: with p; [
pip
pytest-cov
coverage
sphinx
sphinx-rtd-theme
identify
cfgv
] ++ p.cclib.nativeBuildInputs
++ p.cclib.propagatedBuildInputs
);
in
pkgs.mkShell {
buildInputs = with pkgs; [
pyEnv
black
pre-commit
ruff
actionlint
isort
];
};
formatter = pkgs.nixpkgs-fmt;
}) // {
overlays.default = overlay;
};
}