Skip to content

Commit

Permalink
Merge pull request #20952 from WilleBell/20240702134706_new_pr_packmo…
Browse files Browse the repository at this point in the history
…l20144

{chem}[GCC/12.3.0] packmol v20.14.4
  • Loading branch information
migueldiascosta authored Jul 3, 2024
2 parents 21d4edd + 9eccebd commit 9675325
Showing 1 changed file with 24 additions and 0 deletions.
24 changes: 24 additions & 0 deletions easybuild/easyconfigs/p/packmol/packmol-20.14.4-GCC-12.3.0.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,24 @@
easyblock = 'MakeCp'

name = 'packmol'
version = '20.14.4'

homepage = 'http://m3g.iqm.unicamp.br/packmol'
description = "Packing Optimization for Molecular Dynamics Simulations"

toolchain = {'name': 'GCC', 'version': '12.3.0'}

source_urls = ['https://github.com/m3g/packmol/archive/']
sources = ['v%(version)s.tar.gz']
checksums = ['45ec33798d5f10c0aac6046675531a0e98567890c1a76f753450c5fc6b1aaa2f']

buildopts = 'FORTRAN="$F90"'

files_to_copy = [(['packmol'], 'bin'), 'AUTHORS', 'LICENSE']

sanity_check_paths = {
'files': ['bin/packmol', 'AUTHORS', 'LICENSE'],
'dirs': [],
}

moduleclass = 'chem'

0 comments on commit 9675325

Please sign in to comment.