Merge branch 'it4i-anselm'

b/BoltzTraP2/BoltzTraP2-18.1.1-Py-3.6.eb

@@ -23,7 +23,6 @@ dependencies = [
 ]
 
 builddependencies = [
-    ('GCC', '6.3.0-2.27', '', True),
     ('CMake', '3.9.1', '', True),
 ]
 

b/BoltzTraP2/BoltzTraP2-18.1.2-Py-3.6.eb

@@ -23,7 +23,6 @@ dependencies = [
 ]
 
 builddependencies = [
-    ('GCC', '6.3.0-2.27', '', True),
     ('CMake', '3.9.1', '', True),
 ]
 

c/CUDA/CUDA-9.1.85.eb

@@ -0,0 +1,18 @@
+name = 'CUDA'
+version = '9.1.85'
+
+homepage = 'https://developer.nvidia.com/cuda-toolkit'
+description = """CUDA (formerly Compute Unified Device Architecture) is a parallel
+ computing platform and programming model created by NVIDIA and implemented by the
+ graphics processing units (GPUs) that they produce. CUDA gives developers access
+ to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+source_urls = ['https://developer.nvidia.com/compute/cuda/%(version_major_minor)s/prod/local_installers/']
+
+sources = ['%(namelower)s_%(version)s_linux-run']
+
+modextravars = { 'CUDA_HOME': '%(installdir)s' }
+
+moduleclass = 'system'

s/Singularity/Singularity-2.4.4-build.patch

@@ -0,0 +1,11 @@
+--- libexec/cli/build.exec.old	2018-03-08 13:52:42.786096197 +0100
++++ libexec/cli/build.exec	2018-03-08 13:53:29.989946615 +0100
+@@ -365,7 +365,7 @@
+         else
+             OPTS=""
+         fi
+-        if ! mksquashfs "$SINGULARITY_ROOTFS/" "$SINGULARITY_CONTAINER_OUTPUT" -noappend $OPTS > /dev/null; then
++        if ! $EBROOTSQUASHFSMINTOOLS/bin/mksquashfs "$SINGULARITY_ROOTFS/" "$SINGULARITY_CONTAINER_OUTPUT" -noappend $OPTS > /dev/null; then
+             message ERROR "Failed squashing image, left template directory at: $SINGULARITY_ROOTFS\n"
+             exit 1
+         fi

s/Singularity/Singularity-2.4.4-functions.patch

@@ -0,0 +1,11 @@
+--- libexec/functions.old	2018-03-08 13:54:43.649714037 +0100
++++ libexec/functions	2018-03-08 13:55:38.831537894 +0100
+@@ -290,7 +290,7 @@
+                 return 0
+             fi
+     esac
+-    for p in `echo $PATH | sed -e 's/:/ /g'`; do
++    for p in `echo "$PATH:$EBROOTSQUASHFSMINTOOLS/bin" | sed -e 's/:/ /g'`; do
+         if [ -f "$p/$i" -a -x "$p/$i" ]; then
+             echo "$p/$i"
+             return 0

s/Singularity/Singularity-2.4.4.eb

@@ -13,6 +13,11 @@ toolchain = {'name': 'dummy', 'version': ''}
 source_urls = ['https://github.com/singularityware/singularity/releases/download/%(version)s']
 sources = [SOURCELOWER_TAR_GZ]
 
+patches = [
+    'Singularity-2.4.4-build.patch',
+    'Singularity-2.4.4-functions.patch'
+]
+
 dependencies = [
     ('squashfs-tools', '4.3'),
 ]