From f50f7e9b95b25e30ad08b3dc675bda0a7917cf26 Mon Sep 17 00:00:00 2001
From: Eric Berquist <eric.berquist@gmail.com>
Date: Fri, 26 May 2023 19:27:36 -0400
Subject: [PATCH 1/4] Use importlib.resources.files instead of a hack to access
 data

See
- https://setuptools.pypa.io/en/latest/userguide/datafiles.html#accessing-data-files-at-runtime
- https://peps.python.org/pep-0302/
- https://docs.python.org/3/library/importlib.html#module-importlib
---
 pymolresponse/data/__init__.py | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

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

From 03de34f2a114e7fee5e6fd77350ec0d76847f57a Mon Sep 17 00:00:00 2001
From: Eric Berquist <eric.berquist@gmail.com>
Date: Sat, 31 Aug 2024 17:03:21 -0400
Subject: [PATCH 2/4] Nix: update description in flake

---
 flake.nix | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

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";

From c606607cc5b672b39b4470a4053a4d065248fbb8 Mon Sep 17 00:00:00 2001
From: Eric Berquist <eric.berquist@gmail.com>
Date: Sat, 31 Aug 2024 17:04:03 -0400
Subject: [PATCH 3/4] Nix: direnv use flake

---
 .envrc | 1 +
 1 file changed, 1 insertion(+)
 create mode 100644 .envrc

diff --git a/.envrc b/.envrc
new file mode 100644
index 00000000..3550a30f
--- /dev/null
+++ b/.envrc
@@ -0,0 +1 @@
+use flake

From 358ca81b89f9559a6c3809f8a3eb17ce6e6c23b8 Mon Sep 17 00:00:00 2001
From: Eric Berquist <eric.berquist@gmail.com>
Date: Sat, 31 Aug 2024 17:05:47 -0400
Subject: [PATCH 4/4] flake.lock: Update
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

Flake lock file updates:

• Updated input 'nixpkgs':
    'github:NixOS/nixpkgs/1d9c2c9b3e71b9ee663d11c5d298727dace8d374' (2024-07-19)
  → 'github:NixOS/nixpkgs/71e91c409d1e654808b2621f28a327acfdad8dc2' (2024-08-28)
---
 flake.lock | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

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": {