Merge branch 'sa-Wannier90' into '2023'

{chem}[intel-para/2022a] Wannier90 v1.2, Wannier90 v3.1.0

See merge request software-team/easybuild!1634

Golden_Repo/w/Wannier90/Wannier90-1.2-intel-para-2022a.eb

+easyblock = 'MakeCp'
+
+name = 'Wannier90'
+version = '1.2'
+
+homepage = 'http://www.wannier.org'
+description = """A tool for obtaining maximally-localised Wannier functions"""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['http://www.wannier.org/code']
+
+patches = ['Wannier90_1x_ignore_makesys.patch']
+
+checksums = [
+    # wannier90-1.2.tar.gz
+    'a76f88eef01c5a40aaa2c74ee393ede8a57bd9085f6b7f2ab656b50c1a30ece4',
+    # Wannier90_1x_ignore_makesys.patch
+    '8d4c60cfba6722b7ddc0fad8f0d0e4028990162dca5ff5ffa894e7b11ca21a33',
+]
+
+prebuildopts = 'F90=$F90 FCOPTS="$FFLAGS" LDOPTS="$FFLAGS" LIBDIR="$LAPACK_LIB_DIR" LIBS="$LIBLAPACK" '
+
+# build program and library
+buildopts = 'all'
+
+files_to_copy = [(['wannier90.x'], 'bin'), (['libwannier.a'], 'lib')]
+
+sanity_check_paths = {
+    'files': ['bin/wannier90.x', 'lib/libwannier.a'],
+    'dirs': []
+}
+
+# parallel build tends to fail
+parallel = 1
+
+moduleclass = 'chem'

Golden_Repo/w/Wannier90/Wannier90-3.1.0-intel-para-2022a.eb

+easyblock = 'MakeCp'
+
+name = 'Wannier90'
+version = '3.1.0'
+
+homepage = 'http://www.wannier.org'
+description = """A tool for obtaining maximally-localised Wannier functions"""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+github_account = 'wannier-developers'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = [{'download_filename': 'v%(version)s.tar.gz', 'filename': SOURCELOWER_TAR_GZ}]
+patches = ['Wannier90_3x_ignore_makeinc.patch']
+checksums = [
+    '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
+    '561c0d296e0e30b8bb303702cd6e41ded54c153d9b9e6cd9cab73858e5e2945e',  # Wannier90_3x_ignore_makeinc.patch
+]
+
+buildopts = 'all F90=$F90 MPIF90=$MPIF90 FCOPTS="$FFLAGS" LDOPTS="$FFLAGS" '
+buildopts += 'LIBDIR="$LAPACK_LIB_DIR" LIBS="$LIBLAPACK" '
+buildopts += 'COMMS=mpi'
+
+files_to_copy = [(['wannier90.x', 'postw90.x'], 'bin'), (['libwannier.a'], 'lib')]
+
+sanity_check_paths = {
+    'files': ['bin/wannier90.x', 'bin/postw90.x', 'lib/libwannier.a'],
+    'dirs': []
+}
+
+moduleclass = 'chem'