From 6d2d5806b5ebfbbf75490ead40f6041026ea95e7 Mon Sep 17 00:00:00 2001 From: Denis Davydov Date: Wed, 24 Aug 2016 13:40:02 +0200 Subject: nwchem: add python module --- var/spack/repos/builtin/packages/nwchem/package.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) (limited to 'var') diff --git a/var/spack/repos/builtin/packages/nwchem/package.py b/var/spack/repos/builtin/packages/nwchem/package.py index 43619c143a..0dcd249f74 100644 --- a/var/spack/repos/builtin/packages/nwchem/package.py +++ b/var/spack/repos/builtin/packages/nwchem/package.py @@ -40,7 +40,7 @@ class Nwchem(Package): depends_on('mpi') depends_on('scalapack') - depends_on('python@2.7:2.8', type='build') + depends_on('python@2.7:2.8', type=nolink) # patches for 6.6-27746: # TODO: add support for achived patches, i.e. @@ -73,6 +73,7 @@ class Nwchem(Package): 'MPI_LOC=%s' % spec['mpi'].prefix, 'USE_PYTHONCONFIG=y', 'PYTHONVERSION=%s' % spec['python'].version.up_to(2), + 'PYTHONHOME=%s' % spec['python'].prefix, 'BLASOPT=%s %s' % ( to_link_flags(spec['lapack'].lapack_shared_lib), to_link_flags(spec['blas'].blas_shared_lib)), @@ -80,7 +81,7 @@ class Nwchem(Package): 'LAPACK_LIB=%s' % to_link_flags(spec['lapack'].lapack_shared_lib), 'USE_SCALAPACK=y', 'SCALAPACK=%s' % spec['scalapack'].fc_link, - 'NWCHEM_MODULES=all', + 'NWCHEM_MODULES=all python', 'NWCHEM_LONG_PATHS=Y' # by default NWCHEM_TOP is 64 char max ]) -- cgit v1.2.3-70-g09d2