From 540b35ffcefdada0272c6a8364d2bec486823f92 Mon Sep 17 00:00:00 2001
From: FNTwin <cristian@valencelabs.com>
Date: Fri, 21 Jun 2024 14:32:55 +0000
Subject: [PATCH 1/3] Update python matrix to catch errors in 3.11 -> 3.12

---
 .github/workflows/test.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 1f04d36..9194d2c 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -16,7 +16,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.9", "3.10"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
         os: ["ubuntu-latest"]
 
     runs-on: ${{ matrix.os }}

From 104c31306ecdb78f2f28494c207a2241b7ff2e54 Mon Sep 17 00:00:00 2001
From: FNTwin <cristian@valencelabs.com>
Date: Fri, 21 Jun 2024 14:54:01 +0000
Subject: [PATCH 2/3] <3.12 enum compatibility

---
 openqdc/datasets/base.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openqdc/datasets/base.py b/openqdc/datasets/base.py
index fcf9d95..026bfd7 100644
--- a/openqdc/datasets/base.py
+++ b/openqdc/datasets/base.py
@@ -250,7 +250,7 @@ def force_unit(self):
         units = self.__forces_unit__.split("/")
         if len(units) > 2:
             units = ["/".join(units[:2]), units[-1]]
-        return ForceTypeConversion(*units)
+        return ForceTypeConversion(tuple(units))  # < 3.12 compatibility
 
     @property
     def root(self):

From f8a8aab3cd422e08c02eebb9332addd52b7d7fa3 Mon Sep 17 00:00:00 2001
From: FNTwin <cristian@valencelabs.com>
Date: Fri, 21 Jun 2024 14:59:07 +0000
Subject: [PATCH 3/3] mev->ev correction

---
 openqdc/utils/units.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openqdc/utils/units.py b/openqdc/utils/units.py
index 55f12e5..d8613a5 100644
--- a/openqdc/utils/units.py
+++ b/openqdc/utils/units.py
@@ -146,8 +146,8 @@ def get_conversion(in_unit: str, out_unit: str):
 Conversion("ev", "kcal/mol", lambda x: x * 23.0605)
 Conversion("ev", "hartree", lambda x: x * 0.0367493)
 Conversion("ev", "kj/mol", lambda x: x * 96.4853)
-Conversion("mev", "ev", lambda x: x * 1000.0)
-Conversion("ev", "mev", lambda x: x * 0.0001)
+Conversion("ev", "mev", lambda x: x * 1000.0)
+Conversion("mev", "ev", lambda x: x * 0.0001)
 Conversion("ev", "ryd", lambda x: x * 0.07349864)
 
 # kcal/mol conversion