new file: a/Automake/Automake-1.13.4.eb

modified:   l/LAMMPS/LAMMPS-22Sep2017-intel-2017a.eb
	new file:   l/LAMMPS/LAMMPS-23Oct2017-intel-2017a.eb
	new file:   l/LAMMPS/LAMMPS-Makefile.intel_cpu_intelmpi.patch
	new file:   l/LAMMPS/log.lammps
	new file:   s/Spack/Spack-0.10.1.eb
	deleted:    l/LAMMPS/LAMMPS-31Mar2017-intel-2017a-REAXC.eb

a/Automake/Automake-1.13.4.eb

@@ -0,0 +1,21 @@
+easyblock = 'ConfigureMake'
+
+name = 'Automake'
+version = "1.13.4"
+
+homepage = 'http://www.gnu.org/software/automake/automake.html'
+description = "Automake: GNU Standards-compliant Makefile generator"
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+source_urls = [GNU_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+
+dependencies = [('Autoconf', '2.69')]
+
+sanity_check_paths = {
+    'files': ['bin/automake', 'bin/aclocal'],
+    'dirs': []
+}
+
+moduleclass = 'devel'

l/LAMMPS/LAMMPS-22Sep2017-intel-2017a.eb

@@ -18,7 +18,7 @@ toolchain = {'name': 'intel', 'version': '2017a'}
 
 source_urls = ['https://github.com/lammps/lammps/archive']
 
-sources = ['patch_22Sep2017.zip']
+sources = ['patch_22Sep2017.tar.gz']
 
 dependencies = [
      ('tbb', '2017.6.196', '', True),

l/LAMMPS/LAMMPS-23Oct2017-intel-2017a.eb

@@ -3,8 +3,7 @@
 easyblock = 'CmdCp'
 
 name = 'LAMMPS'
-version = '31Mar2017'
-versionsuffix= '-REAXC'
+version = '23Oct2017'
 
 homepage = 'http://lammps.sandia.gov'
 description = """LAMMPS is a classical molecular dynamics code, 
@@ -18,17 +17,24 @@ meso, or continuum scale.
 toolchain = {'name': 'intel', 'version': '2017a'}
 
 source_urls = ['https://github.com/lammps/lammps/archive']
-
-sources = ['stable_31Mar2017.zip']
+sources = ['patch_23Oct2017.tar.gz']
+patches = [
+    'LAMMPS-Makefile.intel_cpu_intelmpi.patch',
+]
 
 dependencies = [
      ('tbb', '2017.6.196', '', True),
 ]
 
+builddependencies = [
+    ('Python', '2.7.13', '-base', True),
+]
+
 
 #commands =  "cd lib/reax && make -f Makefile.ifort && cd ../.. && "
 commands = "cd src && make yes-user-reaxc && make yes-user-omp && make yes-user-intel && "
-commands += "sed -i -e 's/-no-offload/-qno-offload/g' MAKE/OPTIONS/Makefile.intel_cpu_intelmpi && "
+commands += "make yes-kokkos && make yes-user-phonon && make lib-reax args='-m ifort' && make yes-reax && "
+#commands += "sed -i -e 's/-no-offload/-qno-offload/g' MAKE/OPTIONS/Makefile.intel_cpu_intelmpi && "
 commands += "make -j 16 intel_cpu_intelmpi && mv lmp_intel_cpu_intelmpi lammps"
 
 cmds_map = [('.*', commands)]

l/LAMMPS/LAMMPS-Makefile.intel_cpu_intelmpi.patch

@@ -0,0 +1,12 @@
+--- src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi.orig	2017-10-24 00:07:21.000000000 +0200
++++ src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi	2018-01-15 11:55:19.220639029 +0100
+@@ -22,6 +22,9 @@
+ ARFLAGS =	-rc
+ SHLIBFLAGS =	-shared
+ 
++KOKKOS_DEVICES = OpenMP
++KOKKOS_ARCH =    HSW
++
+ # ---------------------------------------------------------------------
+ # LAMMPS-specific settings, all OPTIONAL
+ # specify settings for LAMMPS features you will use

s/Spack/Spack-0.10.1.eb

@@ -0,0 +1,26 @@
+easyblock = 'Tarball'
+
+name = 'Spack'
+version = '0.10.1'
+
+homepage = 'https://spack.io/'
+description = """Spack is a package manager for supercomputers, Linux, and macOS. It makes installing scientific
+ software easy. With Spack, you can build a package with multiple versions, configurations, platforms, and compilers,
+ and all of these builds can coexist on the same machine."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+source_urls = ['https://github.com/LLNL/spack/archive/']
+sources = ['v%(version)s.tar.gz']
+
+sanity_check_paths = {
+    'files': ['bin/spack'],
+    'dirs': ['etc/spack/defaults', 'lib/spack', 'share/spack', 'var/spack'],
+}
+
+sanity_check_commands = [
+    "spack list",
+    "spack versions gcc",
+]
+
+moduleclass = 'devel'