Merge pull request #2856 from boegel/20230108154130_new_pr_namd

make NAMD easyblock aware of (pre)testopts
easybuilders · Jan 18, 2023 · f1124c6 · f1124c6
2 parents c93dda1 + fdc069a
commit f1124c6
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/easybuild/easyblocks/n/namd.py b/easybuild/easyblocks/n/namd.py
@@ -201,10 +201,12 @@ def test_step(self):
             ppn = ''
             if self.toolchain.options.get('openmp', False):
                 ppn = '+ppn 2'
-            cmd = "%(namd)s %(ppn)s %(testdir)s" % {
+            cmd = "%(pretestopts)s %(namd)s %(ppn)s %(testopts)s %(testdir)s" % {
                 'namd': namdcmd,
                 'ppn': ppn,
+                'pretestopts': self.cfg['pretestopts'],
                 'testdir': os.path.join(self.cfg['start_dir'], self.namd_arch, 'src', 'alanin'),
+                'testopts': self.cfg['testopts'],
             }
             out, ec = run_cmd(cmd, simple=False)
             if ec == 0: