From ed7ec796589c4becabfff0d0bf97e08b36067421 Mon Sep 17 00:00:00 2001
From: Christoph Siegert <christoph.siegert@uni-leipzig.de>
Date: Fri, 30 Sep 2022 16:00:33 +0200
Subject: [PATCH] add patches for ambertools to work with new easyblock

---
 .../Amber-20.11-foss-2020b-AmberTools-21.3.eb | 38 ++++++++++++++++---
 1 file changed, 33 insertions(+), 5 deletions(-)

diff --git a/easybuild/easyconfigs/a/Amber/Amber-20.11-foss-2020b-AmberTools-21.3.eb b/easybuild/easyconfigs/a/Amber/Amber-20.11-foss-2020b-AmberTools-21.3.eb
index ee8d80b6270..1f0d542911d 100644
--- a/easybuild/easyconfigs/a/Amber/Amber-20.11-foss-2020b-AmberTools-21.3.eb
+++ b/easybuild/easyconfigs/a/Amber/Amber-20.11-foss-2020b-AmberTools-21.3.eb
@@ -15,21 +15,49 @@ toolchainopts = {'usempi': True, 'openmp': True}
 
 sources = [
     '%%(name)s%s.tar.bz2' % local_amber_ver,
-    'AmberTools%s.tar.bz2' % local_ambertools_ver,
+    {'filename': 'AmberTools%s.tar.bz2' % local_ambertools_ver, 'alt_location': 'AmberTools'}
 ]
 patches = [
-    'AmberTools-20_cmake-locate-netcdf.patch',
-    'AmberTools-20_fix_missing_MPI_LIBRARY_error.patch',
-    'AmberTools-20_fix_xblas_missing_make_dependency.patch',
+    {'name': 'AmberTools-20_cmake-locate-netcdf.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-20_fix_missing_MPI_LIBRARY_error.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-20_fix_xblas_missing_make_dependency.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_CMake-FlexiBLAS.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_DGESVD_workspace_query.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_incorrect_dvout_call.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_incorrect_mexit_calls.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_more_blas_argument_problems.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_multiple_definition.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_potential_use_before_init.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_rism_argument_mismatch.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_fix_xray_fftpack_arg_mismatch.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-22_fix_test_missing_cuda_dir.patch', 'alt_location': 'AmberTools'},
+    {'name': 'AmberTools-21_dont_include_config.h_in_top_Makefile.patch', 'alt_location': 'AmberTools'},
 ]
 checksums = [
     'a4c53639441c8cc85adee397933d07856cc4a723c82c6bea585cd76c197ead75',  # Amber20.tar.bz2
     'f55fa930598d5a8e9749e8a22d1f25cab7fcf911d98570e35365dd7f262aaafd',  # AmberTools21.tar.bz2
     '473e07c53b6f641d96d333974a6af2e03413fecef79f879d3fdecf7fecaab4d0',  # AmberTools-20_cmake-locate-netcdf.patch
     # AmberTools-20_fix_missing_MPI_LIBRARY_error.patch
-    '185040c79c8799d4f2d75139b7c648a1863f3484c4e1baab3470d2cf8d660b65',
+    '0b89a0624167bc23876bcdefcb1055f591e38e3bd559a71d5749e342bd311acc',
     # AmberTools-20_fix_xblas_missing_make_dependency.patch
     'ff25e91fdc72347a778c3837b581e174d6a8c71efa5b46e11391b18bca84fd65',
+    '9543812c24c4b7842f64f1f8abaf2c92b5c4c0fadcdbd9811e76b81a778f0d36',  # AmberTools-21_CMake-FlexiBLAS.patch
+    # AmberTools-21_fix_DGESVD_workspace_query.patch
+    '560c73e9d8bd159c609098c63a0256cdee78f49e524d06ea94d16d3146f69bcd',
+    '1054d4007f5c79126a41582e1e80514267cf406416ed6c471574cd708b16319b',  # AmberTools-21_fix_incorrect_dvout_call.patch
+    'd1de8c596119dcedbb809515816f0c98762306c469e9caf2c0b878d9b0a1095f',  # AmberTools-21_fix_incorrect_mexit_calls.patch
+    # AmberTools-21_fix_more_blas_argument_problems.patch
+    'c6279b57752239184b942d37f760749494ae0eff95236f3368c76ac0d2726a7c',
+    'ce30eeaba9feea53aa115e4b0dcc5be943b8a55abe322480c807ca7ea963d83b',  # AmberTools-21_fix_multiple_definition.patch
+    # AmberTools-21_fix_potential_use_before_init.patch
+    '377e645b5bd2c91ebb4d0b6fbca0407a94289e5ddc5b1e7ed0cb0b0724ad2139',
+    # AmberTools-21_fix_rism_argument_mismatch.patch
+    '14255e5739cec39303df570f06820c7532f7395e1b73b1e4104377984e2c9fc1',
+    # AmberTools-21_fix_xray_fftpack_arg_mismatch.patch
+    '99c954e693659efc2a1d121f91510f56408006f0751d91595f45a34b03364e2f',
+    'fb1ab74314d7816169bb9f3f527b78085654aae2825c52cebf50a5760401b737',  # AmberTools-22_fix_test_missing_cuda_dir.patch
+    # AmberTools-21_dont_include_config.h_in_top_Makefile.patch
+    'b5a20a63904344fc3d1469841f0ea7d5ddaaa01462742bab958c3bba4a9b7ad9',
 ]
 
 builddependencies = [