Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

fix top level Makefile for AmberTools 20 and enable tests #16150

Merged
merged 3 commits into from
Sep 10, 2022
Merged

fix top level Makefile for AmberTools 20 and enable tests #16150

Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
2453b68
fix top level Makefile for AmberTools 20
akesandgren Aug 29, 2022
6b02ccb
Merge branch 'develop' of https://github.com/easybuilders/easybuild-e…
akesandgren Aug 30, 2022
765cdbb
add missing comma
akesandgren Aug 30, 2022
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
9 changes: 6 additions & 3 deletions easybuild/easyconfigs/a/AmberTools/AmberTools-20-intel-2020a-Python-3.8.2.eb
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ toolchainopts = {'usempi': True}

# download requires registration, see http://ambermd.org/AmberTools17-get.html
local_download_credentials = '?Name=Easybuild&Institution=Easybuild&City=Internet&State=Other&Country=Belgium'
source_urls = ['https://ambermd.org/cgi-bin/AmberTools20-get.pl']
source_urls = ['https://ambermd.org/cgi-bin/AmberTools%s-get.pl' % version]
sources = [{
'download_filename': local_download_credentials,
'filename': SOURCE_TAR_BZ2,
Expand All @@ -23,14 +23,17 @@ patches = [
'AmberTools-20_fix_missing_MPI_LIBRARY_error.patch',
'AmberTools-20_cmake-locate-netcdf.patch',
'AmberTools-20_fix_xblas_missing_make_dependency.patch',
'AmberTools-21_dont_include_config.h_in_top_Makefile.patch',
]
checksums = [
'b1e1f8f277c54e88abc9f590e788bbb2f7a49bcff5e8d8a6eacfaf332a4890f9', # AmberTools-20.tar.bz2
# AmberTools-20_fix_missing_MPI_LIBRARY_error.patch'
'0b89a0624167bc23876bcdefcb1055f591e38e3bd559a71d5749e342bd311acc',
'473e07c53b6f641d96d333974a6af2e03413fecef79f879d3fdecf7fecaab4d0', # AmberTools-20_cmake-locate-netcdf.patch
# AmberTools-20_fix_xblas_missing_make_dependency.patch
'ff25e91fdc72347a778c3837b581e174d6a8c71efa5b46e11391b18bca84fd65'
'ff25e91fdc72347a778c3837b581e174d6a8c71efa5b46e11391b18bca84fd65',
# AmberTools-21_dont_include_config.h_in_top_Makefile.patch
'b5a20a63904344fc3d1469841f0ea7d5ddaaa01462742bab958c3bba4a9b7ad9',
]

builddependencies = [
Expand All @@ -54,6 +57,6 @@ prebuildopts = """sed -i 's/import sys/import sys; os.environ["LDSHARED"] = "icc
prebuildopts += "%(builddir)s/AmberTools/src/pysander/setup.py && "

# Tests use pmemd which is not part of AmberTools
runtest = False
runtest = True

moduleclass = 'chem'