new file: y/Yambo/Yambo-4.2.3-intel-2020a.eb

y/Yambo/Yambo-4.2.3-intel-2020a.eb

@@ -0,0 +1,54 @@
+# IInnovations 2021
+# LK
+
+easyblock = 'MakeCp'
+
+name = 'Yambo'
+version = '4.2.3'
+
+homepage = 'http://www.yambo-code.org'
+description = """Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics.
+ Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'usempi': True}
+
+source_urls = ['https://github.com/yambo-code/yambo/archive']
+sources = ["%(version)s.tar.gz"]
+
+dependencies = [
+        ('netCDF-Fortran', '4.5.2'),
+        ('libxc', '2.2.3'),
+        ('IOTK', '1.2.2'),
+]
+
+#with_configure = True
+
+#configopts = 'CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" '
+#configopts += '--with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" '
+#configopts += '--with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" '
+#configopts += '--with-netcdf-libs="-lnetcdff -lnetcdf" '
+#configopts += '--with-hdf5-path=$EBROOTHDF5 '
+#configopts += '--with-libxc-path=$EBROOTLIBXC '
+#configopts += '--enable-iotk '
+#onfigopts += '--with-iotk-path=$EBROOTIOTK '
+#configopts += '--enable-dp --enable-memory-profile --disable-open-mp '
+
+prebuildopts = './configure --build=x86_64-pc-linux-gnu  --host=x86_64-pc-linux-gnu CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" --with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" --with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" --with-netcdf-libs="-lnetcdff -lnetcdf" --with-hdf5-path=$EBROOTHDF5 --with-libxc-path=$EBROOTLIBXC --enable-iotk --with-iotk-path=$EBROOTIOTK  --with-p2y-version=qexsd --enable-dp --enable-memory-profile --disable-open-mp && '
+
+buildopts = 'all'
+
+parallel = 1
+
+files_to_copy = [
+        (['bin/*'], 'bin'),
+        (['lib/*.a'], 'lib'),
+        (['include/*'], 'include'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/' + x for x in ['a2y', 'p2y', 'yambo', 'ypp']],
+    'dirs': []
+}
+
+moduleclass = 'phys'