Merge branch 'easyconfigs-it4i-salomon'

a/ABINIT/ABINIT-8.2.2-intel-2017a.eb

@@ -0,0 +1,33 @@
+easyblock = 'ConfigureMake'
+
+name = 'ABINIT'
+version = '8.2.2'
+
+homepage = 'http://www.abinit.org/'
+description = """ABINIT is a package whose main program allows one to find the total energy, charge density and
+ electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional
+ Theory (DFT), using pseudopotentials and a planewave or wavelet basis."""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+
+source_urls = ['http://ftp.abinit.org/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5f25250e06fdc0815c224ffd29858860']
+
+configopts = "--with-mpi-prefix=$EBROOTIMPI/intel64 --with-trio-flavor='etsf_io+netcdf' --with-dft=flavor='libxc' "
+configopts += '--with-netcdf-incs="-I$EBROOTNETCDF/include -I$EBROOTNETCDFMINFORTRAN/include" '
+configopts += '--with-netcdf-libs="-L$EBROOTNETCDF/lib -lnetcdf -L$EBROOTNETCDFMINFORTRAN/lib -lnetcdff" '
+configopts += '--with-libxc-incs="-I$EBROOTLIBXC/include" --with-libxc-libs="-L$EBROOTLIBXC/lib -lxc" '
+
+dependencies = [
+    ('libxc', '3.0.0', '', True),
+    ('netCDF', '4.4.1'),
+    ('netCDF-Fortran', '4.4.4'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'chem'

l/libctl/libxc/libxc-3.0.0.eb

@@ -0,0 +1,31 @@
+easyblock = 'ConfigureMake'
+
+name = 'libxc'
+version = '3.0.0'
+
+homepage = 'http://www.tddft.org/programs/octopus/wiki/index.php/Libxc'
+description = """Libxc is a library of exchange-correlation functionals for density-functional theory.
+ The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/']
+
+configopts = 'FC="$F77" FCFLAGS="$FFLAGS" --enable-shared --enable-fortran'
+
+# From the libxc mailing list
+# To summarize: expect less tests to fail in libxc 2.0.2, but don't expect
+# a fully working testsuite soon (unless someone wants to volunteer to do
+# it, of course  ) In the meantime, unless the majority of the tests
+# fail, your build should be fine.
+#runtest = 'check'
+
+sanity_check_paths = {
+    'files': ['lib/libxc%s.%s' % (x,y) for x in ['', 'f90'] for y in ['a', SHLIB_EXT]],
+    'dirs': ['include'],
+}
+
+parallel = 1
+
+moduleclass = 'chem'