diff --git a/Golden_Repo/m/MPB/MPB-1.11.1-ipsmpi-2021b.eb b/Golden_Repo/m/MPB/MPB-1.11.1-ipsmpi-2021b.eb new file mode 100644 index 0000000000000000000000000000000000000000..2ce4a01849356e87c9e47c6b8bf7b9218bd87884 --- /dev/null +++ b/Golden_Repo/m/MPB/MPB-1.11.1-ipsmpi-2021b.eb @@ -0,0 +1,51 @@ +easyblock = 'ConfigureMake' + +name = 'MPB' +version = '1.11.1' + +homepage = 'https://mpb.readthedocs.io/en/latest/' +description = """MPB is a free and open-source software package for computing + the band structures, or dispersion relations, and electromagnetic + modes of periodic dielectric structures, on both serial + and parallel computers. MPB is an acronym for MIT Photonic Bands.""" + +toolchain = {'name': 'ipsmpi', 'version': '2021b'} +toolchainopts = {'usempi': True, 'pic': True} + +source_urls = ['https://github.com/NanoComp/mpb/releases/download/v%(version)s/'] +sources = [SOURCELOWER_TAR_GZ] +checksums = ['dc55b081c56079727dac92d309f8e4ea84ca6eea9122ec24b7955f8c258608e1'] + +builddependencies = [ + ('Autotools', '20210726'), +] + +dependencies = [ + ('Python', '3.9.6'), + ('imkl', '2021.4.0'), + ('HDF5', '1.12.1'), + ('libctl', '4.5.1'), + ('FFTW', '3.3.10'), + ('GSL', '2.7'), + ('guile', '3.0.7'), + ('libreadline', '8.1'), +] + +local_common_configopts = "--with-pic --with-blas=mkl_em64t --with-lapack=mkl_em64t " +local_common_configopts += "--with-libctl=$EBROOTLIBCTL/share/libctl --enable-shared " +local_common_configopts += "--with-hermitian-eps " +configopts = [ + local_common_configopts + " ", + local_common_configopts + " --with-inv-symmetry", + local_common_configopts + " --with-mpi CC=mpicc CXX=mpic++ F77=mpif90 MPIRUN=srun ", + local_common_configopts + " --with-mpi --with-inv-symmetry CC=mpicc CXX=mpic++ F77=mpif90 MPIRUN=srun ", +] + +sanity_check_paths = { + 'files': ['bin/mpb%s' % x for x in ['', '-data', 'i', 'i-data', 'i-mpi', 'i-split', '-mpi', '-split']] + + ['lib/libmpb.a', 'lib/libmpbi_mpi.a', 'lib/libmpbi.a', 'lib/libmpb_mpi.a', 'lib/libmpb.%s' % SHLIB_EXT, + 'lib/libmpbi_mpi.%s' % SHLIB_EXT, 'lib/libmpbi.%s' % SHLIB_EXT, 'lib/libmpb_mpi.%s' % SHLIB_EXT], + 'dirs': ['include'], +} + +moduleclass = 'phys' diff --git a/acls.yml b/acls.yml index 6c19319247f5f8c5ccb1d955f1a96e0f4be5b40c..ea96372e5ea56f657ff513601d96ad94070368a4 100644 --- a/acls.yml +++ b/acls.yml @@ -1142,3 +1142,6 @@ software: - name: 'Harminv' owner: 'koh1' mpi: True + - name: 'MPB' + owner: 'koh1' + mpi: True