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science/openmolcas: Fix debug build

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This commit is contained in:
Yuri Victorovich 2022-08-20 10:48:45 -07:00
parent 51177e7567
commit 04b86d3e96
1 changed files with 21 additions and 0 deletions
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science/openmolcas/files/patch-src_linalg__util_linalg__mod.F90 Normal file
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@ -0,0 +1,21 @@
- workaround for https://gitlab.com/Molcas/OpenMolcas/-/issues/370
--- src/linalg_util/linalg_mod.F90.orig 2022-08-20 17:37:29 UTC
+++ src/linalg_util/linalg_mod.F90
@@ -341,11 +341,11 @@ subroutine determine_eigenspaces(lambda,dimensions)
integer(kind=iwp) :: i, low
integer(kind=iwp) :: n_spaces
-# ifdef _ADDITIONAL_RUNTIME_CHECK_
- if (any(lambda(2:) < lambda(:size(lambda)-1))) then
- call abort_('Eigenvalues not sorted in'//__FILE__)
- end if
-# endif
+!># ifdef _ADDITIONAL_RUNTIME_CHECK_
+!> if (any(lambda(2:) < lambda(:size(lambda)-1))) then
+!> call abort_('Eigenvalues not sorted in'//__FILE__)
+!> end if
+!># endif
call mma_allocate(d_buffer,size(lambda))
d_buffer(:) = 0