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| author | Adam J. Stewart <ajstewart426@gmail.com> | 2016-06-13 16:14:16 -0500 |
|---|---|---|
| committer | Adam J. Stewart <ajstewart426@gmail.com> | 2016-06-15 14:17:29 -0500 |
| commit | deb4f919cf64717036ee0c8c1b6cb00d46b579aa (patch) | |
| tree | 3f2462687b244a00f517137161fd9eed5c3b5cef | |
| parent | 9d99042fed2abad1ccb22669bc1dfa298d495768 (diff) | |
| download | spack-deb4f919cf64717036ee0c8c1b6cb00d46b579aa.tar.gz spack-deb4f919cf64717036ee0c8c1b6cb00d46b579aa.tar.bz2 spack-deb4f919cf64717036ee0c8c1b6cb00d46b579aa.tar.xz spack-deb4f919cf64717036ee0c8c1b6cb00d46b579aa.zip | |
Psi4 tweaks
| -rw-r--r-- | var/spack/repos/builtin/packages/psi4/package.py | 22 |
1 files changed, 7 insertions, 15 deletions
diff --git a/var/spack/repos/builtin/packages/psi4/package.py b/var/spack/repos/builtin/packages/psi4/package.py index 5c2ce369c9..e02dc65fd4 100644 --- a/var/spack/repos/builtin/packages/psi4/package.py +++ b/var/spack/repos/builtin/packages/psi4/package.py @@ -38,13 +38,13 @@ class Psi4(Package): variant('mpi', default=True, description='Enable MPI parallelization') # Required dependencies - depends_on('python@2.7:') - depends_on('py-numpy') depends_on('blas') depends_on('lapack') - depends_on('cmake@3.0:') - depends_on('boost@1.55.0:+chrono+filesystem~mpi+python+regex+serialization+system+timer+thread', when='~mpi') - depends_on('boost@1.55.0:+chrono+filesystem+mpi+python+regex+serialization+system+timer+thread', when='+mpi') + depends_on('boost+chrono+filesystem~mpi+python+regex+serialization+system+timer+thread', when='~mpi') + depends_on('boost+chrono+filesystem+mpi+python+regex+serialization+system+timer+thread', when='+mpi') + depends_on('python') + depends_on('cmake') + depends_on('py-numpy') # Optional dependencies depends_on('mpi', when='+mpi') @@ -62,23 +62,15 @@ class Psi4(Package): '-DLAPACK_LIBRARIES={0}'.format(spec['lapack'].lapack_shared_lib), '-DBOOST_INCLUDEDIR={0}'.format(spec['boost'].prefix.include), '-DBOOST_LIBRARYDIR={0}'.format(spec['boost'].prefix.lib), + '-DENABLE_MPI={0}'.format('ON' if '+mpi' in spec else 'OFF'), '-DENABLE_CHEMPS2=OFF' ] - if '+mpi' in spec: - cmake_args.extend([ - '-DENABLE_MPI=ON' - #'-DMPI_C_COMPILER={0}'.format(spec['mpi'].mpicc) - #'-DMPI_C_INCLUDE_PATH={0}'.format(spec['mpi'].prefix.include), - ]) - else: - cmake_args.append('-DENABLE_MPI=OFF') - cmake_args.extend(std_cmake_args) with working_dir('spack-build', create=True): cmake('..', *cmake_args) make() - #ctest() + # ctest() make('install') |