diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/plumed/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/plumed/package.py | 28 |
1 files changed, 28 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/plumed/package.py b/var/spack/repos/builtin/packages/plumed/package.py index 32571455eb..abb03e0770 100644 --- a/var/spack/repos/builtin/packages/plumed/package.py +++ b/var/spack/repos/builtin/packages/plumed/package.py @@ -22,6 +22,7 @@ # License along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA ############################################################################## +import subprocess from spack import * @@ -55,6 +56,33 @@ class Plumed(Package): depends_on('mpi', when='+mpi') depends_on('gsl', when='+gsl') + # Dictionary mapping PLUMED versions to the patches it provides + # interactively + plumed_patches = { + '2.2.3': { + 'amber-14': '1', + 'gromacs-4.5.7': '2', + 'gromacs-4.6.7': '3', + 'gromacs-5.0.7': '4', + 'gromacs-5.1.2': '5', + 'lammps-6Apr13': '6', + 'namd-2.8': '7', + 'namd-2.9': '8', + 'espresso-5.0.2': '9' + } + } + + def apply_patch(self, other): + plumed = subprocess.Popen( + [join_path(self.spec.prefix.bin, 'plumed'), 'patch', '-p'], + stdin=subprocess.PIPE + ) + opts = Plumed.plumed_patches[str(self.version)] + search = '{0.name}-{0.version}'.format(other) + choice = opts[search] + '\n' + plumed.stdin.write(choice) + plumed.wait() + def setup_dependent_package(self, module, ext_spec): # Make plumed visible from dependent packages module.plumed = Executable(join_path(self.spec.prefix.bin, 'plumed')) |