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add support to NAMD easyblock to opt out of building with CUDA support even if CUDA is included as dependency #2666

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Merged
ocaisa merged 2 commits into from
Feb 4, 2022
Merged

add support to NAMD easyblock to opt out of building with CUDA support even if CUDA is included as dependency #2666

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2f1247d
To enable the enabling of CUDA as desired, instead of automatically.
damianam Jan 28, 2022
5119142
As suggested in https://github.com/easybuilders/easybuild-easyblocks/…
Feb 2, 2022
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5 changes: 4 additions & 1 deletion easybuild/easyblocks/n/namd.py
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Original file line number Diff line number Diff line change
Expand Up @@ -45,6 +45,7 @@ def extra_options():
'charm_arch': [None, "Charm++ target architecture", MANDATORY],
'charm_extra_cxxflags': ['', "Extra C++ compiler options to use for building Charm++", CUSTOM],
'charm_opts': ['--with-production', "Charm++ build options", CUSTOM],
'cuda': [True, "Enable CUDA build if CUDA is among the dependencies", CUSTOM],
'namd_basearch': [None, "NAMD base target architecture (compiler family is appended)", CUSTOM],
'namd_cfg_opts': ['', "NAMD configure options", CUSTOM],
'runtest': [True, "Run NAMD test case after building", CUSTOM],
Expand Down Expand Up @@ -152,8 +153,10 @@ def configure_step(self):

# NAMD dependencies: CUDA, TCL, FFTW
cuda = get_software_root('CUDA')
if cuda:
if cuda and self.cfg['cuda']:
self.cfg.update('namd_cfg_opts', "--with-cuda --cuda-prefix %s" % cuda)
elif not cuda and self.cfg['cuda']:
self.log.warning("CUDA is not a dependency, but support for CUDA is enabled (default). Silently ignoring.")

tcl = get_software_root('Tcl')
if tcl:
Expand Down