From 5f3abbad246cbb23ef56d9c10ae4e81153e8273c Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Tue, 6 Jun 2023 19:46:45 +0300
Subject: [PATCH] python3Packages.pylion: init at 0.5.2

---
 .../python-modules/pylion/default.nix         | 55 +++++++++++++++++++
 pkgs/top-level/python-packages.nix            |  2 +
 2 files changed, 57 insertions(+)
 create mode 100644 pkgs/development/python-modules/pylion/default.nix

diff --git a/pkgs/development/python-modules/pylion/default.nix b/pkgs/development/python-modules/pylion/default.nix
new file mode 100644
index 000000000000..a5b590dd32ef
--- /dev/null
+++ b/pkgs/development/python-modules/pylion/default.nix
@@ -0,0 +1,55 @@
+{ lib
+, buildPythonPackage
+, fetchFromBitbucket
+, h5py
+, termcolor
+, pexpect
+, jinja2
+, sphinxHook
+, sphinx-rtd-theme
+}:
+
+buildPythonPackage {
+  pname = "pylion";
+  version = "0.5.2";
+  format = "setuptools";
+
+  src = fetchFromBitbucket {
+    owner = "dtrypogeorgos";
+    repo = "pylion";
+    # Version is set in setup.cfg, but not in a git tag / bitbucket release
+    rev = "8945a7b6f1912ae6b9c705f8a2bd521101f5ba59";
+    hash = "sha256-4AdJkoQ1hAssDUpgmARGmN+ihQqRPPOncWJ5ErQyWII=";
+  };
+
+  # 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 = "A LAMMPS wrapper for molecular dynamics simulations of trapped ions";
+    homepage = "https://bitbucket.org/dtrypogeorgos/pylion";
+    license = licenses.mit;
+    maintainers = with maintainers; [ doronbehar ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index c394e42aada2..aafa75154ae9 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -8811,6 +8811,8 @@ self: super: with self; {
 
   pylint-venv = callPackage ../development/python-modules/pylint-venv { };
 
+  pylion = callPackage ../development/python-modules/pylion { };
+
   pylitterbot = callPackage ../development/python-modules/pylitterbot { };
 
   py-libzfs = callPackage ../development/python-modules/py-libzfs { };