diff --git a/easybuild/easyconfigs/c/CP2K/CP2K-2024.2-foss-2023a-CUDA-12.2.0.eb b/easybuild/easyconfigs/c/CP2K/CP2K-2024.2-foss-2023a-CUDA-12.2.0.eb
new file mode 100644
index 000000000000..fba4d2a7e671
--- /dev/null
+++ b/easybuild/easyconfigs/c/CP2K/CP2K-2024.2-foss-2023a-CUDA-12.2.0.eb
@@ -0,0 +1,45 @@
+##
+# Author:    Bibek Chapagain <bibek.chapagain@bsc.es>
+##
+name = 'CP2K'
+version = '2024.2'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://www.cp2k.org/'
+description = """CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular
+ simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different
+ methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and
+ classical pair and many-body potentials. """
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+toolchainopts = {'pic': True, 'openmp': True}
+
+source_urls = ['https://github.com/cp2k/cp2k/releases/download/v%(version)s/']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['cc3e56c971dee9e89b705a1103765aba57bf41ad39a11c89d3de04c8b8cdf473']
+
+builddependencies = [
+    ('flex', '2.6.4'),
+    ('Bison', '3.8.2'),
+]
+
+dependencies = [
+    ('CUDA', '12.2.0', '', SYSTEM),
+    ('Libint', '2.7.2', '-lmax-6-cp2k'),
+    ('libxc', '6.2.2'),
+    ('libxsmm', '1.17'),
+    ('libvori', '220621'),
+    ('FFTW', '3.3.10'),
+    ('PLUMED', '2.9.0'),
+]
+
+type = 'psmp'
+gpuver = 'H100'
+
+# regression test reports handful of failures,
+# we're assuming those are OK to ignore...
+ignore_regtest_fails = True
+
+#parallel = 4
+
+moduleclass = 'chem'