From deb4f919cf64717036ee0c8c1b6cb00d46b579aa Mon Sep 17 00:00:00 2001 From: "Adam J. Stewart" Date: Mon, 13 Jun 2016 16:14:16 -0500 Subject: Psi4 tweaks --- var/spack/repos/builtin/packages/psi4/package.py | 22 +++++++--------------- 1 file changed, 7 insertions(+), 15 deletions(-) (limited to 'var') 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') -- cgit v1.2.3-70-g09d2