new file: a/ABINIT/ABINIT-8.6.1-intel-2017a.eb

a/ABINIT/ABINIT-8.6.1-intel-2017a.eb

@@ -0,0 +1,32 @@
+easyblock = 'ConfigureMake'
+
+name = 'ABINIT'
+version = '8.6.1'
+
+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 = ['https://www.abinit.org/sites/default/files/packages/']
+sources = [SOURCELOWER_TAR_GZ]
+
+configopts = "--with-mpi-prefix=$EBROOTIMPI/intel64 --with-dft=flavor='libxc' "
+configopts += '--with-netcdf-incs="-I$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', '4.0.1'),
+    ('netCDF', '4.4.1.1'),
+    ('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'