diff --git a/.envrc b/.envrc new file mode 100644 index 00000000..3550a30f --- /dev/null +++ b/.envrc @@ -0,0 +1 @@ +use flake diff --git a/flake.lock b/flake.lock index 685f6f60..55ad208f 100644 --- a/flake.lock +++ b/flake.lock @@ -2,11 +2,11 @@ "nodes": { "nixpkgs": { "locked": { - "lastModified": 1721379653, - "narHash": "sha256-8MUgifkJ7lkZs3u99UDZMB4kbOxvMEXQZ31FO3SopZ0=", + "lastModified": 1724819573, + "narHash": "sha256-GnR7/ibgIH1vhoy8cYdmXE6iyZqKqFxQSVkFgosBh6w=", "owner": "NixOS", "repo": "nixpkgs", - "rev": "1d9c2c9b3e71b9ee663d11c5d298727dace8d374", + "rev": "71e91c409d1e654808b2621f28a327acfdad8dc2", "type": "github" }, "original": { diff --git a/flake.nix b/flake.nix index 803222d6..c6523b8c 100644 --- a/flake.nix +++ b/flake.nix @@ -1,5 +1,5 @@ { - description = "Example C++ development environment for Zero to Nix"; + description = "Molecular frequency-dependent response properties for arbitrary operators"; inputs = { nixpkgs.url = "github:NixOS/nixpkgs/nixos-unstable"; diff --git a/pymolresponse/data/__init__.py b/pymolresponse/data/__init__.py index 79a8070e..ece3e564 100644 --- a/pymolresponse/data/__init__.py +++ b/pymolresponse/data/__init__.py @@ -1,8 +1,11 @@ -from pathlib import Path +try: + from importlib.resources import files +except ImportError: + from importlib_resources import files -_datadir = Path(__file__).resolve().parent +_datadir = files("pymolresponse.data") COORDDIR = _datadir / "coords" REFDIR = _datadir / "reference" -del Path del _datadir +del files