git: 04b86d3e963e - main - science/openmolcas: Fix debug build
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Date: Sat, 20 Aug 2022 17:49:05 UTC
The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=04b86d3e963ecb0cd693a4503eeff8eda777e2e2 commit 04b86d3e963ecb0cd693a4503eeff8eda777e2e2 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2022-08-20 17:48:45 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2022-08-20 17:48:45 +0000 science/openmolcas: Fix debug build --- .../files/patch-src_linalg__util_linalg__mod.F90 | 21 +++++++++++++++++++++ 1 file changed, 21 insertions(+) diff --git a/science/openmolcas/files/patch-src_linalg__util_linalg__mod.F90 b/science/openmolcas/files/patch-src_linalg__util_linalg__mod.F90 new file mode 100644 index 000000000000..35291e6a2177 --- /dev/null +++ b/science/openmolcas/files/patch-src_linalg__util_linalg__mod.F90 @@ -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