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NAMD: FIX build +cuda and mpi ~smp (#20778)

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* NAMD: FIX build +cuda

Hi,
If I try to compile NAMD with CUDA support, it fails because cannot file the file "{self.arch}.cuda" because it is undet the "arch" folder.

* NAMD: FIX mpi ~smp

Fix `spack install namd ^charmpp backend=mpi ~smp`
This commit is contained in:
yellowhat 2021-01-19 05:12:06 +00:00 committed by GitHub
parent a36c40b61d
commit 83eec2d170
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 2 additions and 2 deletions
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4
var/spack/repos/builtin/packages/namd/package.py
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@ -111,7 +111,7 @@ def _edit_arch_generic(self, spec, prefix):
else: else:
optims_opts = { optims_opts = {
'gcc': m64 + '-O3 -fexpensive-optimizations \ 'gcc': m64 + '-O3 -fexpensive-optimizations \
-ffast-math ' + archopt, -ffast-math -lpthread ' + archopt,
'intel': '-O2 -ip ' + archopt, 'intel': '-O2 -ip ' + archopt,
'aocc': m64 + '-O3 -ffp-contract=fast \ 'aocc': m64 + '-O3 -ffp-contract=fast \
-ffast-math ' + archopt} -ffast-math ' + archopt}
@ -226,7 +226,7 @@ def edit(self, spec, prefix):
self._append_option(opts, 'cuda') self._append_option(opts, 'cuda')
filter_file('^CUDADIR=.*$', filter_file('^CUDADIR=.*$',
'CUDADIR={0}'.format(spec['cuda'].prefix), 'CUDADIR={0}'.format(spec['cuda'].prefix),
self.arch + '.cuda') join_path('arch', self.arch + '.cuda'))
config = Executable('./config') config = Executable('./config')