From 44e188f1111ce4251a756d92cae7c5a7e0ed41fe Mon Sep 17 00:00:00 2001 From: "Adam J. Stewart" Date: Wed, 15 Jun 2016 13:55:51 -0500 Subject: Remove MPI support, fix INCLUDE filters --- var/spack/repos/builtin/packages/psi4/package.py | 37 ++++++++++-------------- 1 file changed, 16 insertions(+), 21 deletions(-) diff --git a/var/spack/repos/builtin/packages/psi4/package.py b/var/spack/repos/builtin/packages/psi4/package.py index 74f1554336..fc77ba7412 100644 --- a/var/spack/repos/builtin/packages/psi4/package.py +++ b/var/spack/repos/builtin/packages/psi4/package.py @@ -36,19 +36,15 @@ class Psi4(Package): version('0.5', '53041b8a9be3958384171d0d22f9fdd0') - variant('mpi', default=True, description='Enable MPI parallelization') - # Required dependencies depends_on('blas') depends_on('lapack') - 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('boost+chrono+filesystem+python+regex+serialization+system+timer+thread') depends_on('python') depends_on('cmake') depends_on('py-numpy') # Optional dependencies - depends_on('mpi', when='+mpi') # TODO: add packages for these # depends_on('perl') # depends_on('erd') @@ -63,7 +59,6 @@ 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' ] @@ -73,12 +68,11 @@ class Psi4(Package): cmake('..', *cmake_args) make() - ctest() make('install') - self.filter_compilers(spec) + self.filter_compilers(spec, prefix) - def filter_compilers(self, spec): + def filter_compilers(self, spec, prefix): """Run after install to tell the configuration files to use the compilers that Spack built the package with. @@ -94,27 +88,28 @@ class Psi4(Package): for filename in cc_files: filter_file(os.environ['CC'], self.compiler.cc, - os.path.join(self.prefix, filename), **kwargs) + os.path.join(prefix, filename), **kwargs) for filename in cxx_files: filter_file(os.environ['CXX'], self.compiler.cxx, - os.path.join(self.prefix, filename), **kwargs) + os.path.join(prefix, filename), **kwargs) # The binary still keeps track of the compiler used to install Psi4 # and uses it when creating a plugin template filter_file('@PLUGIN_CXX@', self.compiler.cxx, - os.path.join(self.prefix, template), **kwargs) + os.path.join(prefix, template), **kwargs) # The binary links to the build include directory instead of the # installation include directory: # https://github.com/psi4/psi4/issues/410 filter_file('@PLUGIN_INCLUDES@', '-I{0}'.format( - ' -I'.join( - spec['psi4'].prefix.include, - spec['boost'].prefix.include, - spec['lapack'].prefix.include, - spec['blas'].prefix.include, - spec['python'].prefix.include, - '/usr/include' - ) - ), os.path.join(self.prefix, template), **kwargs) + ' -I'.join([ + os.path.join(spec['psi4'].prefix.include, 'psi4'), + os.path.join(spec['boost'].prefix.include, 'boost'), + os.path.join(spec['python'].prefix.include, 'python{0}'.format( + spec['python'].version.up_to(2))), + spec['lapack'].prefix.include, + spec['blas'].prefix.include, + '/usr/include' + ]) + ), os.path.join(prefix, template), **kwargs) -- cgit v1.2.3-70-g09d2