56 lines
1.2 KiB
Nix
56 lines
1.2 KiB
Nix
{
|
|
lib,
|
|
buildPythonPackage,
|
|
fetchFromBitbucket,
|
|
h5py,
|
|
termcolor,
|
|
pexpect,
|
|
jinja2,
|
|
sphinxHook,
|
|
sphinx-rtd-theme,
|
|
}:
|
|
|
|
buildPythonPackage {
|
|
pname = "pylion";
|
|
version = "0.5.3";
|
|
format = "setuptools";
|
|
|
|
src = fetchFromBitbucket {
|
|
owner = "dtrypogeorgos";
|
|
repo = "pylion";
|
|
# Version is set in setup.cfg, but not in a git tag / bitbucket release
|
|
rev = "3e6b96b542b97107c622d66b0be0551c3bd9f948";
|
|
hash = "sha256-c0UOv2Vlv9wJ6YW+QdHinhpdaclUh3As5TDvyoRhpSI=";
|
|
};
|
|
|
|
# Docs are not available online, besides the article:
|
|
# http://dx.doi.org/10.1016/j.cpc.2020.107187
|
|
nativeBuildInputs = [
|
|
sphinxHook
|
|
sphinx-rtd-theme
|
|
];
|
|
|
|
propagatedBuildInputs = [
|
|
h5py
|
|
termcolor
|
|
pexpect
|
|
jinja2
|
|
];
|
|
|
|
pythonImportsCheck = [ "pylion" ];
|
|
|
|
# Tests fail from some reason - some files seem to be missing from the repo.
|
|
doCheck = false;
|
|
|
|
postInstall = ''
|
|
mkdir -p $out/share/doc/$name
|
|
cp -r examples $out/share/doc/$name/examples
|
|
'';
|
|
|
|
meta = with lib; {
|
|
description = "LAMMPS wrapper for molecular dynamics simulations of trapped ions";
|
|
homepage = "https://bitbucket.org/dtrypogeorgos/pylion";
|
|
license = licenses.mit;
|
|
maintainers = with maintainers; [ doronbehar ];
|
|
};
|
|
}
|