From 2a876140a8442b1ae56e437a6286f1e45dc71933 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Tue, 20 Feb 2024 10:41:51 +0100
Subject: [PATCH] openmolcas: 23.10 -> 24.02

---
 .../science/chemistry/openmolcas/default.nix  | 12 ++----
 .../chemistry/openmolcas/pyparsing.patch      | 37 -------------------
 2 files changed, 4 insertions(+), 45 deletions(-)
 delete mode 100644 pkgs/applications/science/chemistry/openmolcas/pyparsing.patch

diff --git a/pkgs/applications/science/chemistry/openmolcas/default.nix b/pkgs/applications/science/chemistry/openmolcas/default.nix
index cefe83446662..8ad979473955 100644
--- a/pkgs/applications/science/chemistry/openmolcas/default.nix
+++ b/pkgs/applications/science/chemistry/openmolcas/default.nix
@@ -41,16 +41,15 @@ let
   };
 
 in
-stdenv.mkDerivation {
+stdenv.mkDerivation rec {
   pname = "openmolcas";
-  version = "23.10";
+  version = "24.02";
 
   src = fetchFromGitLab {
     owner = "Molcas";
     repo = "OpenMolcas";
-    # The tag keeps moving, fix a hash instead
-    rev = "c74317e68572d1da82fdce4210b005c2c1b1de53"; # 2023-09-25
-    hash = "sha256-wBrASZ6YFsWsu/TreEZ6Q+VxNQwCwMpyPC8AOqmNxos=";
+    rev = "v${version}";
+    hash = "sha256-4Ek0cnaRfLEbj1Nj31rRp9b2sois4rIFTcpOUq9h2mw=";
   };
 
   patches = [
@@ -59,9 +58,6 @@ stdenv.mkDerivation {
 
     # Required for a local QCMaquis build
     ./qcmaquis.patch
-
-    # PyParsing >= 3.11 compatibility, can be removed on next release
-    ./pyparsing.patch
   ];
 
   postPatch = ''
diff --git a/pkgs/applications/science/chemistry/openmolcas/pyparsing.patch b/pkgs/applications/science/chemistry/openmolcas/pyparsing.patch
deleted file mode 100644
index 271b52840ff9..000000000000
--- a/pkgs/applications/science/chemistry/openmolcas/pyparsing.patch
+++ /dev/null
@@ -1,37 +0,0 @@
-diff --git a/Tools/pymolcas/emil_grammar.py b/Tools/pymolcas/emil_grammar.py
-index acbbae8..509c56f 100644
---- a/Tools/pymolcas/emil_grammar.py
-+++ b/Tools/pymolcas/emil_grammar.py
-@@ -15,6 +15,14 @@
- 
- from __future__ import (unicode_literals, division, absolute_import, print_function)
- 
-+try:
-+  u = unicode
-+  del u
-+  py2 = True
-+except NameError:
-+  pass
-+
-+
- from re import sub
- from pyparsing import *
- 
-@@ -24,6 +32,8 @@ def chomp(s):
- 
- def chompAction(s, l, t):
-   try:
-+    if (py2):
-+      pass
-     return list(map(lambda s: chomp(unicode(s)), t))
-   except NameError:
-     return list(map(chomp, t))
-@@ -33,6 +43,8 @@ def removeEMILEnd(s):
- 
- def removeEMILEndAction(s, l, t):
-   try:
-+    if (py2):
-+      pass
-     return list(map(lambda s: removeEMILEnd(unicode(s)), t))
-   except NameError:
-     return list(map(removeEMILEnd, t))