forked from easybuilders/easybuild-easyconfigs
-
Notifications
You must be signed in to change notification settings - Fork 0
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge pull request easybuilders#19609 from laraPPr/20240117094227_new…
…_pr_Wannier90310 {chem}[intel/2022b] Wannier90 v3.1.0
- Loading branch information
Showing
1 changed file
with
32 additions
and
0 deletions.
There are no files selected for viewing
32 changes: 32 additions & 0 deletions
32
easybuild/easyconfigs/w/Wannier90/Wannier90-3.1.0-intel-2022b.eb
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -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' |