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authorAMD Toolchain Support <73240730+amd-toolchain-support@users.noreply.github.com>2020-12-09 23:06:59 +0530
committerGitHub <noreply@github.com>2020-12-09 09:36:59 -0800
commit0b62b33d187674fbca6e0e7c3952d386867352f2 (patch)
treedc3c9afd55929bcadfac8043a3439caf69f4caa1
parentaf307d312019ca06bceba796b06f2259aea3d237 (diff)
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Below changes were added to lammps recipe: (#20288)
1) amdfftw library support 2) opt added in supported packages
-rw-r--r--var/spack/repos/builtin/packages/lammps/package.py9
1 files changed, 7 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/lammps/package.py b/var/spack/repos/builtin/packages/lammps/package.py
index 5f96f150c7..b209931424 100644
--- a/var/spack/repos/builtin/packages/lammps/package.py
+++ b/var/spack/repos/builtin/packages/lammps/package.py
@@ -64,7 +64,7 @@ class Lammps(CMakePackage, CudaPackage):
'qeq', 'replica', 'rigid', 'shock', 'snap', 'spin',
'srd', 'user-atc', 'user-h5md', 'user-lb',
'user-meamc', 'user-misc', 'user-netcdf', 'user-omp',
- 'user-reaxc', 'voronoi']
+ 'user-reaxc', 'voronoi', 'opt']
for pkg in supported_packages:
variant(pkg, default=False,
@@ -95,7 +95,6 @@ class Lammps(CMakePackage, CudaPackage):
depends_on('blas', when='+user-atc')
depends_on('lapack', when='+user-atc')
depends_on('opencl', when='+opencl')
-
depends_on('latte@1.0.1', when='@:20180222+latte')
depends_on('latte@1.1.1:', when='@20180316:20180628+latte')
depends_on('latte@1.2.1:', when='@20180629:20200505+latte')
@@ -186,6 +185,12 @@ class Lammps(CMakePackage, CudaPackage):
args.append('-DFFT=FFTW3')
if '^mkl' in spec:
args.append('-DFFT=MKL')
+ if '^amdfftw' in spec:
+ fftw_prefix = spec['amdfftw'].prefix
+ args.append('-DFFTW_HOME={0}'.format(fftw_prefix))
+ args.append('-DFFTW_INCLUDE_DIRS={0}'
+ .format(fftw_prefix.include))
+ args.append('-DFFTW_LIBRARY_DIRS={0}'.format(fftw_prefix.lib))
if '+kokkos' in spec:
args.append('-DEXTERNAL_KOKKOS=ON')