Merge pull request #20522 from bedroge/gromacs_2024.1_bump_gmxapi

use the included gmxapi for GROMACS 2024.1
easybuilders · May 14, 2024 · a0a467a · a0a467a
2 parents 61d07bf + e5861a0
commit a0a467a
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/easybuild/easyconfigs/g/GROMACS/GROMACS-2024.1-foss-2023b.eb b/easybuild/easyconfigs/g/GROMACS/GROMACS-2024.1-foss-2023b.eb
@@ -54,7 +54,7 @@ checksums = [
 
 builddependencies = [
     ('CMake', '3.27.6'),
-    ('scikit-build', '0.17.6'),
+    ('scikit-build-core', '0.9.3'),
 ]
 
 dependencies = [
@@ -74,12 +74,12 @@ exts_default_options = {
 }
 
 exts_list = [
-    ('gmxapi', '0.4.2', {
+    ('gmxapi', '0.5.0', {
         'preinstallopts': 'export CMAKE_ARGS="-Dgmxapi_ROOT=%(installdir)s ' +
                           '-C %(installdir)s/share/cmake/gromacs_mpi/gromacs-hints_mpi.cmake" && ',
-        'source_tmpl': 'gromacs-2023.3.tar.gz',
+        'source_tmpl': 'gromacs-2024.1.tar.gz',
         'start_dir': 'python_packaging/gmxapi',
-        'checksums': ['4ec8f8d0c7af76b13f8fd16db8e2c120e749de439ae9554d9f653f812d78d1cb'],
+        'checksums': ['937d8f12a36fffbf2af7add71adbb5aa5c5537892d46c9a76afbecab1aa0aac7'],
     }),
 ]