Added qe/6.3 Quantum Espresso

MPI/qe/6/variants

@@ -0,0 +1 @@
+qe/6.3  unstable	gcc/8.2.0 openmpi/3.1.1 b:cmake/3.9.6

MPI/qe/build

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+#!/usr/bin/env modbuild
+
+pbuild::set_download_url "https://github.com/QEF/q-e/archive/$P-$V.tar.gz"
+echo "https://github.com/QEF/q-e/archive/$P-$V.tar.gz"
+
+pbuild::add_to_group 'MPI'
+
+pbuild::install_docfiles License README.md CONTRIBUTING.md
+
+pbuild::compile_in_sourcetree
+
+
+pbuild::configure() {
+  ./configure -enable-openmp
+}
+
+pbuild::compile() {
+  make all
+}
+

MPI/qe/modulefile

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+#%Module1.0
+
+module-whatis		  "is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials."
+module-url		    "https://www.quantum-espresso.org"
+module-license		"See PREFIX/share/doc/COPYING"
+module-maintainer	"Marc Caubet <marc.caubet@psi.ch>"
+module-help		    "
+QUANTUM ESPRESSOR is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
+"