Merge branch 'it4i-salomon'

Former-commit-id: 615fc511a066f8d38aaa925ee56cbc821bf67931

g/glibc/glibc-2.17.eb

@@ -0,0 +1,28 @@
+# IT4Innovations 2018
+
+easyblock = 'ConfigureMake'
+
+name = 'glibc'
+version = '2.17'
+
+homepage = 'https://www.gnu.org/software/libc/'
+description = """The Glibc package contains the main C library. This library provides the basic routines for allocating memory, searching directories, opening and closing files, reading and writing files, string handling, pattern matching, arithmetic, and so on."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+sources = ['%(name)s-%(version)s.tar.gz']
+source_urls = ['http://ftp.gnu.org/gnu/glibc/']
+
+preconfigopts = 'mkdir build && '
+preconfigopts += 'cd build && '
+configure_cmd_prefix = '.'
+configopts = '--enable-kernel=2.6.32 --enable-obsolete-rpc --enable-stack-protector=strong'
+prebuildopts = 'cd build && ' 
+preinstallopts= 'cd build && '
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib'],
+}
+
+moduleclass = 'lib'

l/LAMMPS/LAMMPS-16Mar2018-intel-2017a.eb

@@ -0,0 +1,50 @@
+# IT4Innovations 2017
+
+easyblock = 'CmdCp'
+
+name = 'LAMMPS'
+version = '16Mar2018'
+
+homepage = 'http://lammps.sandia.gov'
+description = """LAMMPS is a classical molecular dynamics code,
+and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
+Has potentials for solid-state materials (metals, semiconductors) and soft
+matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.
+It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic,
+meso, or continuum scale.
+"""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+
+source_urls = ['https://github.com/lammps/lammps/archive']
+sources = ['stable_16Mar2018.tar.gz']
+
+dependencies = [
+    ('tbb', '2017.6.196', '', True),
+]
+
+builddependencies = [
+    ('Python', '2.7.13', '-base', True),
+    ('CMake', '3.5.2', '', True)
+]
+
+commands =  "cd src && make yes-kokkos && "
+commands += "make yes-user-phonon && make yes-misc && "
+commands += "make lib-reax args='-m ifort' && make yes-reax && "
+commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
+commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
+commands += "make yes-user-reaxc && make yes-user-omp && "
+commands += "make -j 16 intel_cpu_intelmpi && mv lmp_intel_cpu_intelmpi lammps"
+
+cmds_map = [('.*', commands)]
+
+files_to_copy = [
+        (['src/lammps'], 'bin'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/lammps'],
+    'dirs': [''],
+}
+
+moduleclass = 'chem'

l/LAMMPS/LAMMPS-22Jun2018-intel-2017a.eb

@@ -0,0 +1,50 @@
+# IT4Innovations 2017
+
+easyblock = 'CmdCp'
+
+name = 'LAMMPS'
+version = '22Jun2018'
+
+homepage = 'http://lammps.sandia.gov'
+description = """LAMMPS is a classical molecular dynamics code,
+and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
+Has potentials for solid-state materials (metals, semiconductors) and soft
+matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.
+It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic,
+meso, or continuum scale.
+"""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+
+source_urls = ['https://github.com/lammps/lammps/archive']
+sources = ['patch_22Jun2018.tar.gz']
+
+dependencies = [
+    ('tbb', '2017.6.196', '', True),
+]
+
+builddependencies = [
+    ('Python', '2.7.13', '-base', True),
+    ('CMake', '3.5.2', '', True),
+]
+
+commands =  "cd src && make yes-kokkos && "
+commands += "make yes-user-phonon && make yes-misc && "
+commands += "make lib-reax args='-m ifort' && make yes-reax && "
+commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
+commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
+commands += "make yes-user-reaxc && make yes-user-omp && "
+commands += "make -j 16 intel_cpu_intelmpi && mv lmp_intel_cpu_intelmpi lammps"
+
+cmds_map = [('.*', commands)]
+
+files_to_copy = [
+        (['src/lammps'], 'bin'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/lammps'],
+    'dirs': [''],
+}
+
+moduleclass = 'chem'