diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/siesta/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/siesta/package.py | 30 |
1 files changed, 21 insertions, 9 deletions
diff --git a/var/spack/repos/builtin/packages/siesta/package.py b/var/spack/repos/builtin/packages/siesta/package.py index 536aac44b0..ffb8c12de1 100644 --- a/var/spack/repos/builtin/packages/siesta/package.py +++ b/var/spack/repos/builtin/packages/siesta/package.py @@ -24,6 +24,7 @@ ############################################################################## from spack import * +import os class Siesta(Package): @@ -31,11 +32,11 @@ class Siesta(Package): dynamics simulations of molecules and solids.""" homepage = "https://departments.icmab.es/leem/siesta/" - url = "https://launchpad.net/siesta/4.0/4.0.1/+download/siesta-4.0.1.tar.gz" - version('4.0.1', '5cb60ce068f2f6e84fa9184ffca94c08') + version('4.0.1', '5cb60ce068f2f6e84fa9184ffca94c08', url='https://launchpad.net/siesta/4.0/4.0.1/+download/siesta-4.0.1.tar.gz') + version('3.2-pl-5', '27a300c65eb2a25d107d910d26aaf81a', url='http://departments.icmab.es/leem/siesta/CodeAccess/Code/siesta-3.2-pl-5.tgz') - patch('configure.patch') + patch('configure.patch', when='@:4.0') depends_on('mpi') depends_on('blas') @@ -63,18 +64,24 @@ class Siesta(Package): # Intel's mpiifort is not found 'MPIFC=%s' % spec['mpi'].mpifc ] - with working_dir('Obj'): - sh('../Src/configure', *configure_args) - sh('../Src/obj_setup.sh') - with working_dir('Obj_trans', create=True): - sh('../Src/configure', *configure_args) - sh('../Src/obj_setup.sh') + for d in ['Obj', 'Obj_trans']: + with working_dir(d, create=True): + sh('../Src/configure', *configure_args) + if spec.satisfies('@:4.0%intel'): + with open('arch.make', 'a') as f: + f.write('\natom.o: atom.F\n') + f.write('\t$(FC) -c $(FFLAGS) -O1') + f.write('$(INCFLAGS) $(FPPFLAGS) $<') + sh('../Src/obj_setup.sh') def build(self, spec, prefix): with working_dir('Obj'): make(parallel=False) with working_dir('Obj_trans'): make('transiesta', parallel=False) + with working_dir('Util'): + sh = which('sh') + sh('build_all.sh') def install(self, spec, prefix): mkdir(prefix.bin) @@ -82,3 +89,8 @@ class Siesta(Package): install('siesta', prefix.bin) with working_dir('Obj_trans'): install('transiesta', prefix.bin) + for root, _, files in os.walk('Util'): + for fname in files: + fname = join_path(root, fname) + if os.access(fname, os.X_OK): + install(fname, prefix.bin) |