Adding nix

README.md

@@ -14,7 +14,39 @@ The design goals are to have:
 - Minimizes *a priori* knowledge that is needed of the internal heirarchical structure, reducing friction for users to load data.
 - Transparently return both raw and processed data, where the levels of post-processing can be selected by the user.
 
-To install, 
+## Installation
+
+### Using pip
+To install using pip:
 ```bash
 pip install git+https://github.com/OpenQuantumDesign/oqd-dataschema.git
 ```
+
+### Using Nix
+
+If you have Nix package manager with flakes enabled, you can install and use this package directly from the repository:
+
+```bash
+# Run in a development shell
+nix develop github:OpenQuantumDesign/oqd-dataschema
+
+# Or install the package
+nix profile install github:OpenQuantumDesign/oqd-dataschema
+```
+
+#### Development Environment
+
+For development, clone the repository and use the provided development shell:
+
+```bash
+git clone https://github.com/OpenQuantumDesign/oqd-dataschema.git
+cd oqd-dataschema
+nix develop
+```
+
+This will provide you with a complete development environment including:
+- All runtime dependencies (pydantic, h5py, bidict)
+- Development tools (black, ruff, mypy)
+- Documentation tools (mkdocs with required extensions)
+
+The development shell automatically sets up your PYTHONPATH and provides all necessary tools to build, test, and document the project.

flake.nix

@@ -0,0 +1,70 @@
+# Copyright 2024-2025 Open Quantum Design
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+{
+  description = "OpenQuantum Design Data Schema";
+
+  inputs = {
+    nixpkgs.url = "github:NixOS/nixpkgs/nixos-unstable";
+    flake-utils.url = "github:numtide/flake-utils";
+  };
+
+  outputs = { self, nixpkgs, flake-utils }:
+    flake-utils.lib.eachDefaultSystem (system:
+      let
+        pkgs = nixpkgs.legacyPackages.${system};
+        python = pkgs.python311;
+        pythonPackages = python.pkgs;
+      in
+      {
+        packages.default = pythonPackages.callPackage ./pkgs/derivation.nix { };
+
+        devShells.default = pkgs.mkShell {
+          packages = with pkgs; [
+            # Python with dependencies
+            (python.withPackages (ps: with ps; [
+              # Core dependencies
+              pydantic
+              h5py
+              bidict
+
+              # Documentation dependencies
+              pymdown-extensions
+              mkdocstrings
+              mkdocs-material
+              mkdocstrings-python
+              mdx-truly-sane-lists
+
+              # Test dependencies
+              pytest
+
+              # Development tools
+              pip
+              black
+              ruff
+              mypy
+            ]))
+
+            # Additional development tools
+            git
+          ];
+
+          shellHook = ''
+            export PYTHONPATH="$PWD/src:$PYTHONPATH"
+            echo "OpenQuantum Design Data Schema development environment"
+            echo "Python version: $(python --version)"
+          '';
+        };
+      }
+    );
+}

pkgs/derivation.nix

@@ -0,0 +1,64 @@
+# Copyright 2024-2025 Open Quantum Design
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+{ lib
+, buildPythonPackage
+, pythonOlder
+, pydantic
+, h5py
+, bidict
+, pytest
+, pymdown-extensions
+, mkdocstrings
+, mkdocs-material
+, mkdocstrings-python
+, mdx-truly-sane-lists
+}:
+
+buildPythonPackage rec {
+  pname = "oqd-dataschema";
+  version = "0.1.0";
+  format = "pyproject";
+
+  disabled = pythonOlder "3.10";
+
+  src = ./..;
+
+  propagatedBuildInputs = [
+    pydantic
+    h5py
+    bidict
+  ];
+
+  checkInputs = [
+    pytest
+  ];
+
+  nativeBuildInputs = [
+    pymdown-extensions
+    mkdocstrings
+    mkdocs-material
+    mkdocstrings-python
+    mdx-truly-sane-lists
+  ];
+
+  pythonImportsCheck = [ "oqd_dataschema" ];
+
+  meta = with lib; {
+    description = "OpenQuantum Design Data Schema";
+    homepage = "https://github.com/OpenQuantumDesign/oqd-dataschema";
+    license = licenses.asl20;
+    maintainers = with maintainers; [ ];
+  };
+}