Merge pull request #16150 from akesandgren/20220829131116_new_pr_Ambe…

…rTools20

fix top level Makefile for AmberTools 20 and enable tests

easybuild/easyconfigs/a/AmberTools/AmberTools-20-intel-2020a-Python-3.8.2.eb

@@ -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,
@@ -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 = [
@@ -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'