From 0dbff2eaf9895b4d03618fbe1a7dd84baedd179e Mon Sep 17 00:00:00 2001
From: vsc46128 <vsc46128@node4006.donphan.os>
Date: Wed, 17 Jan 2024 09:42:28 +0100
Subject: [PATCH] adding easyconfigs: Wannier90-3.1.0-intel-2022b.eb

---
 .../Wannier90/Wannier90-3.1.0-intel-2022b.eb  | 32 +++++++++++++++++++
 1 file changed, 32 insertions(+)
 create mode 100644 easybuild/easyconfigs/w/Wannier90/Wannier90-3.1.0-intel-2022b.eb

diff --git a/easybuild/easyconfigs/w/Wannier90/Wannier90-3.1.0-intel-2022b.eb b/easybuild/easyconfigs/w/Wannier90/Wannier90-3.1.0-intel-2022b.eb
new file mode 100644
index 00000000000..c696e0ffde0
--- /dev/null
+++ b/easybuild/easyconfigs/w/Wannier90/Wannier90-3.1.0-intel-2022b.eb
@@ -0,0 +1,32 @@
+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', 'version': '2022b'}
+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'