From 83eec2d170793f542a07c84bb37d5e82f608d1a4 Mon Sep 17 00:00:00 2001 From: yellowhat Date: Tue, 19 Jan 2021 05:12:06 +0000 Subject: 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` --- var/spack/repos/builtin/packages/namd/package.py | 4 ++-- 1 file 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') -- cgit v1.2.3-70-g09d2