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authoryellowhat <yellowhat46@gmail.com>2021-01-19 05:12:06 +0000
committerGitHub <noreply@github.com>2021-01-18 23:12:06 -0600
commit83eec2d170793f542a07c84bb37d5e82f608d1a4 (patch)
tree67856eb856927fea9804d1efb2cffe9d6479e0ee
parenta36c40b61dee6ce13b888f59dc03cda554f96d2f (diff)
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NAMD: FIX build +cuda and mpi ~smp (#20778)
* 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`
-rw-r--r--var/spack/repos/builtin/packages/namd/package.py4
1 files changed, 2 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/namd/package.py b/var/spack/repos/builtin/packages/namd/package.py
index a3bd668ea8..aaa5529db5 100644
--- a/var/spack/repos/builtin/packages/namd/package.py
+++ b/var/spack/repos/builtin/packages/namd/package.py
@@ -111,7 +111,7 @@ class Namd(MakefilePackage, CudaPackage):
else:
optims_opts = {
'gcc': m64 + '-O3 -fexpensive-optimizations \
- -ffast-math ' + archopt,
+ -ffast-math -lpthread ' + archopt,
'intel': '-O2 -ip ' + archopt,
'aocc': m64 + '-O3 -ffp-contract=fast \
-ffast-math ' + archopt}
@@ -226,7 +226,7 @@ class Namd(MakefilePackage, CudaPackage):
self._append_option(opts, 'cuda')
filter_file('^CUDADIR=.*$',
'CUDADIR={0}'.format(spec['cuda'].prefix),
- self.arch + '.cuda')
+ join_path('arch', self.arch + '.cuda'))
config = Executable('./config')