diff options
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/vasp/package.py | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/vasp/package.py b/var/spack/repos/builtin/packages/vasp/package.py index 8c30ab71f9..065cd09415 100644 --- a/var/spack/repos/builtin/packages/vasp/package.py +++ b/var/spack/repos/builtin/packages/vasp/package.py @@ -58,6 +58,7 @@ class Vasp(MakefilePackage): make_include = join_path('arch', 'makefile.include.linux_gnu') elif '%nvhpc' in spec: make_include = join_path('arch', 'makefile.include.linux_pgi') + filter_file('-pgc++libs', '-c++libs', make_include, string=True) filter_file('pgcc', spack_cc, make_include) filter_file('pgc++', spack_cxx, make_include, string=True) filter_file('pgfortran', spack_fc, make_include) @@ -125,12 +126,17 @@ class Vasp(MakefilePackage): fflags = [] if '%gcc' in spec or '%intel' in spec: fflags.append('-w') + elif '%nvhpc' in spec: + fflags.extend(['-Mnoupcase', '-Mbackslash', '-Mlarge_arrays']) spack_env.set('BLAS', spec['blas'].libs.ld_flags) spack_env.set('LAPACK', spec['lapack'].libs.ld_flags) spack_env.set('FFTW', spec['fftw'].prefix) spack_env.set('MPI_INC', spec['mpi'].prefix.include) + if '%nvhpc' in spec: + spack_env.set('QD', spec['qd'].prefix) + if '+scalapack' in spec: cpp_options.append('-DscaLAPACK') spack_env.set('SCALAPACK', spec['netlib-scalapack'].libs.ld_flags) |