Gromacs 2018.3 MPI, remove Gromacs from SandBox

MPI/gromacs/2018/variants

@@ -0,0 +1,2 @@
+gromacs/2018.3_sp  unstable	   gcc/8.2.0 openmpi/3.1.1 Python/2.7.14 b:cmake/3.9.6
+gromacs/2018.3_dp  unstable     gcc/8.2.0 openmpi/3.1.1 Python/2.7.14 b:cmake/3.9.6

MPI/gromacs/build

@@ -3,17 +3,19 @@
 pbuild::set_download_url "http://ftp.gromacs.org/pub/$P/$P-${V_PKG}.tar.gz"
 
 pbuild::add_to_group 'MPI'
-pbuild::install_docfiles \
-		AUTHORS \
-		COPYING \
-		README
+
+pbuild::install_docfiles ACKNOWLEDGMENTS COPYING MANIFEST README.txt
 
 pbuild::pre_configure() {
 	pbuild::add_configure_args "-DCMAKE_BUILD_TYPE=RELEASE"
 	pbuild::add_configure_args "-DGMX_MPI=on"
-	pbuild::add_configure_args "-DGMX_GPU=off"
-	pbuild::add_configure_args "-DGMX_SIMD=SSE2"
+        
+  if pbuild::use_flag dp ; then
+		pbuild::add_configure_args "-DGFMX_DOUBLE=on"
+  else # pbuild::use_flag sp
+		pbuild::add_configure_args "-DGFMX_DOUBLE=off"
+  fi
+ 	pbuild::add_configure_args "-DGMX_GPU=off"
+	# To remove: pbuild::add_configure_args "-DGMX_SIMD=SSE2"
 	pbuild::add_configure_args "-DGMX_BUILD_OWN_FFTW=on"
 }
-
-

MPI/gromacs/modulefile

@@ -3,7 +3,7 @@
 module-whatis		"GROMACS is a versatile package to perform molecular dynamics"
 module-url		"http://www.gromacs.org/"
 module-license		"See PREFIX/share/doc/COPYING"
-module-maintainer	"Antonio Benedetto <antonio.benedetto@psi.ch>"
+module-maintainer	"Marc Caubet <marc.caubet@psi.ch>"
 module-help		"
 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
 the Newtonian equations of motion for systems with hundreds to millions of
@@ -15,4 +15,3 @@ GROMACS is extremely fast at calculating the nonbonded interactions (that
 usually dominate simulations) many groups are also using it for research on
 non-biological systems, e.g. polymers.
 "
-