qmcpack: new package (#4907)

This adds QMCPACK along with patches to Quantum Espresso for using Quantum Espresso in QMCPACK workflows.
2017-10-06 15:51:18 -05:00
parent d05f98d405
commit 3d8d3e8882
3 changed files with 253 additions and 8 deletions
--- a/var/spack/repos/builtin/packages/espresso/package.py
+++ b/var/spack/repos/builtin/packages/espresso/package.py
@@ -104,7 +104,9 @@ def install(self, spec, prefix):
        options = ['-prefix={0}'.format(prefix_path)]

        if '+mpi' in spec:
-            options.append('--enable-parallel')
+            options.append('--enable-parallel=yes')
+        else:
+            options.append('--enable-parallel=no')

        if '+openmp' in spec:
            options.append('--enable-openmp')