Date: Mon, 13 Apr 2026 20:44:39 +0000 From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 2891a38f9b04 - main - science/openmolcas: update 25.=?utf-8?Q?10 =E2=86=92 2?=6.02 Message-ID: <69dd55b7.4656f.2e98027c@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=2891a38f9b045a28f32e9cec1b73a084c76921b3 commit 2891a38f9b045a28f32e9cec1b73a084c76921b3 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2026-04-13 20:44:12 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2026-04-13 20:44:31 +0000 science/openmolcas: update 25.10 → 26.02 --- science/openmolcas/Makefile | 8 ++++---- science/openmolcas/distinfo | 14 +++++++------- .../files/patch-src_linalg__util_linalg__mod.F90 | 21 --------------------- .../files/patch-src_mma__util_cgetshmem.c | 11 ----------- 4 files changed, 11 insertions(+), 43 deletions(-) diff --git a/science/openmolcas/Makefile b/science/openmolcas/Makefile index 0843133371ad..0485a6c8d024 100644 --- a/science/openmolcas/Makefile +++ b/science/openmolcas/Makefile @@ -1,5 +1,5 @@ PORTNAME= openmolcas -DISTVERSION= 25.10 +DISTVERSION= 26.02 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org @@ -24,13 +24,13 @@ USE_GCC= yes # see https://gitlab.com/Molcas/OpenMolcas/-/issues/351 USE_GITLAB= yes GL_ACCOUNT= Molcas GL_PROJECT= OpenMolcas -GL_TAGNAME= ff0b5d1cb86ae8766625b9018d18260f07e46f52 +GL_TAGNAME= 3cb6f2cd61a5d482611d85c47dcb61f8d51d50ba USE_GITHUB= nodefault -GH_TUPLE= Reference-LAPACK:lapack:aa631b4b:lapack/External/lapack \ +GH_TUPLE= Reference-LAPACK:lapack:04b044e0:lapack/External/lapack \ ilyak:libefp:7d1ff5fd:libefp/External/efp \ mcodev31:libmsym:0e0b831c:libmsym/External/libmsym \ - libwfa:libwfa:5a9954ba:libwfa/External/libwfa + libwfa:libwfa:a44aca25:libwfa/External/libwfa SHEBANG_FILES= sbin/help_doc sbin/help_func sbin/help_basis sbin/setup sbin/verify sbin/version SHEBANG_GLOB= *.py diff --git a/science/openmolcas/distinfo b/science/openmolcas/distinfo index 068fbd349519..d82a66ba6054 100644 --- a/science/openmolcas/distinfo +++ b/science/openmolcas/distinfo @@ -1,11 +1,11 @@ -TIMESTAMP = 1718517171 -SHA256 (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 04ddd43c8b1bed6447427e9dd2b4dd2ead7e2497d7a8fa5fea7f9b31f52117a2 -SIZE (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 7631245 +TIMESTAMP = 1776108627 +SHA256 (Reference-LAPACK-lapack-04b044e0_GH0.tar.gz) = eaa79da0208c117fb0c4a68794f5cd90c716e63db3665d0326c274a5f18ddce8 +SIZE (Reference-LAPACK-lapack-04b044e0_GH0.tar.gz) = 7933907 SHA256 (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 147ba9713bba4f7587c349fb19ff372c4279f011a009d09bd00ec1ae89dba868 SIZE (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 5614915 SHA256 (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 6572464002360c455285db4423d208f7ca92ab4268ee425dcb7168fe2d02e948 SIZE (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 87556 -SHA256 (libwfa-libwfa-5a9954ba_GH0.tar.gz) = 5764476a4505ad8b9f30534dfed0590f9b61c455e6f6e321f14fa8d51b86509f -SIZE (libwfa-libwfa-5a9954ba_GH0.tar.gz) = 195688 -SHA256 (Molcas-OpenMolcas-ff0b5d1cb86ae8766625b9018d18260f07e46f52_GL0.tar.gz) = 3849572e4ab48c7e232e5a2cd82a2a47cce7a1edae08148ff8cca6955d7b93a1 -SIZE (Molcas-OpenMolcas-ff0b5d1cb86ae8766625b9018d18260f07e46f52_GL0.tar.gz) = 40045805 +SHA256 (libwfa-libwfa-a44aca25_GH0.tar.gz) = a2452b16246fce3ad1dee33d4f48e5c1c2e385bfa579af06f0441326ea66d973 +SIZE (libwfa-libwfa-a44aca25_GH0.tar.gz) = 195820 +SHA256 (Molcas-OpenMolcas-3cb6f2cd61a5d482611d85c47dcb61f8d51d50ba_GL0.tar.gz) = 428e82e5c2b69387d89b2522c880b4bcf25c194437565a0b31c805c38bd9124a +SIZE (Molcas-OpenMolcas-3cb6f2cd61a5d482611d85c47dcb61f8d51d50ba_GL0.tar.gz) = 44062957 diff --git a/science/openmolcas/files/patch-src_linalg__util_linalg__mod.F90 b/science/openmolcas/files/patch-src_linalg__util_linalg__mod.F90 deleted file mode 100644 index 35291e6a2177..000000000000 --- a/science/openmolcas/files/patch-src_linalg__util_linalg__mod.F90 +++ /dev/null @@ -1,21 +0,0 @@ -- 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 diff --git a/science/openmolcas/files/patch-src_mma__util_cgetshmem.c b/science/openmolcas/files/patch-src_mma__util_cgetshmem.c deleted file mode 100644 index 7e19778aa38c..000000000000 --- a/science/openmolcas/files/patch-src_mma__util_cgetshmem.c +++ /dev/null @@ -1,11 +0,0 @@ ---- src/mma_util/cgetshmem.c.orig 2023-06-12 11:58:03 UTC -+++ src/mma_util/cgetshmem.c -@@ -137,6 +137,8 @@ INT add_shmentry(mstat *MM, mentry *tmp, char *path, I - shmid = shmget(SHM_key, (size_t)tmp->len, 0644 | IPC_CREAT | IPC_EXCL); - # elif _AIX_ - shmid = shmget(SHM_key, (size_t)tmp->len, 0644 | IPC_CREAT | IPC_EXCL | SHM_PIN); -+#elif __FreeBSD__ -+ shmid = shmget(SHM_key, (size_t) tmp->len, 0644 | IPC_CREAT | IPC_EXCL); - # else - shmid = shmget(SHM_key, (size_t)tmp->len, 0644 | IPC_CREAT | IPC_EXCL | SHM_LOCKED); - /* shmid = shmget(SHM_key, (size_t)tmp->len, 0644 | IPC_CREAT | IPC_EXCL | SHM_LOCKED | SHM_NORESERVE);*/home | help
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