Update easybuild/easyconfigs/o/OpenMM-Torch/OpenMM-Torch-20240816-fos…

…s-2023a.eb Co-authored-by: Alex Domingo <[email protected]>
easybuilders · Sep 20, 2024 · 37b2a10 · 37b2a10
1 parent 3d42cfe
commit 37b2a10
Showing 1 changed file with 5 additions and 3 deletions.
diff --git a/easybuild/easyconfigs/o/OpenMM-Torch/OpenMM-Torch-20240816-foss-2023a.eb b/easybuild/easyconfigs/o/OpenMM-Torch/OpenMM-Torch-20240816-foss-2023a.eb
@@ -28,12 +28,14 @@ dependencies = [
     ('OpenMM', '8.0.0'),
 ]
 
-preconfigopts = "sed -i 's|pip install |pip install --prefix=%(installdir)s |' %(start_dir)s/python/CMakeLists.txt && "
-
 configopts = '-DOPENMM_DIR="${EBROOTOPENMM}" '
 configopts += '-DPYTORCH_DIR="${EBROOTPYTORCH}/lib/python%(pyshortver)s/site-packages/torch"'
 
-postinstallcmds = ["make PythonInstall"]
+# install Python bindings
+postinstallcmds = [
+    "sed -i 's|pip install |pip install --prefix=%(installdir)s |' %(start_dir)s/python/CMakeLists.txt",
+    "make PythonInstall",
+]
 
 sanity_check_paths = {
     'files': ['lib/python%(pyshortver)s/site-packages/openmmtorch.py'],