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What happens if I push all of nixpkgs
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957 B · 53 lines
Nix
123456789101112131415161718192021222324252627282930313233343536373839404142434445464748495051525354{ buildPythonPackage, lib, fetchFromGitHub, gfortran, makeWrapper, numpy, pytest, mock, pytest-mock,}:
buildPythonPackage rec { pname = "i-pi"; version = "2.6.1"; format = "setuptools";
src = fetchFromGitHub { owner = "i-pi"; repo = "i-pi"; rev = "refs/tags/v${version}"; sha256 = "sha256-c1bs8ZI/dfDwKx5Df8ndtsDxESQrdbMkvrjfI6b9JTg="; };
nativeBuildInputs = [ gfortran makeWrapper ];
propagatedBuildInputs = [ numpy ];
nativeCheckInputs = [ pytest mock pytest-mock ];
postFixup = '' wrapProgram $out/bin/i-pi \ --set IPI_ROOT $out '';
meta = with lib; { description = "Universal force engine for ab initio and force field driven (path integral) molecular dynamics"; license = with licenses; [ gpl3Only mit ]; homepage = "http://ipi-code.org/"; platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; };}