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Sun, 23 Jul 2023 08:50:43 GMT (envelope-from git) Date: Sun, 23 Jul 2023 08:50:43 GMT Message-Id: <202307230850.36N8ohiG010711@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: b6202143f56c - main - =?utf-8?Q?science/openmolcas:=20Update=2022.06=20=E2=86=92=2023.06?= List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: b6202143f56cdeba594208529cca2b7e70cf87fd Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=b6202143f56cdeba594208529cca2b7e70cf87fd commit b6202143f56cdeba594208529cca2b7e70cf87fd Author: Yuri Victorovich AuthorDate: 2023-07-23 08:40:03 +0000 Commit: Yuri Victorovich CommitDate: 2023-07-23 08:50:35 +0000 science/openmolcas: Update 22.06 → 23.06 --- science/openmolcas/Makefile | 9 ++++----- science/openmolcas/distinfo | 14 +++++++------- .../openmolcas/files/patch-src_mma__util_cgetshmem.c | 18 +++++++++--------- science/openmolcas/pkg-plist | 2 ++ 4 files changed, 22 insertions(+), 21 deletions(-) diff --git a/science/openmolcas/Makefile b/science/openmolcas/Makefile index c62ca79df0cb..a058b27302cc 100644 --- a/science/openmolcas/Makefile +++ b/science/openmolcas/Makefile @@ -1,6 +1,5 @@ PORTNAME= openmolcas -DISTVERSION= 22.06 -PORTREVISION= 2 +DISTVERSION= 23.06 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org @@ -25,13 +24,13 @@ USE_GCC= yes # see https://gitlab.com/Molcas/OpenMolcas/-/issues/351 USE_GITLAB= yes GL_ACCOUNT= Molcas GL_PROJECT= OpenMolcas -GL_TAGNAME= 17238da5c339c41ddf14ceb88f139d57143d7a14 +GL_COMMIT= 1cda3772686cbf99a4af695929a12d563c795ca2 USE_GITHUB= nodefault GH_TUPLE= Reference-LAPACK:lapack:aa631b4b:lapack/External/lapack \ ilyak:libefp:7d1ff5fd:libefp/External/efp \ - mcodev31:libmsym:0c47befe:libmsym/External/libmsym \ - libwfa:libwfa:bbe3392a:libwfa/External/libwfa + mcodev31:libmsym:0e0b831c:libmsym/External/libmsym \ + libwfa:libwfa:da000b67: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 700d7e0c5174..ae41e8b1d98e 100644 --- a/science/openmolcas/distinfo +++ b/science/openmolcas/distinfo @@ -1,11 +1,11 @@ -TIMESTAMP = 1658693647 +TIMESTAMP = 1690098967 SHA256 (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 04ddd43c8b1bed6447427e9dd2b4dd2ead7e2497d7a8fa5fea7f9b31f52117a2 SIZE (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 7631245 SHA256 (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 147ba9713bba4f7587c349fb19ff372c4279f011a009d09bd00ec1ae89dba868 SIZE (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 5614915 -SHA256 (mcodev31-libmsym-0c47befe_GH0.tar.gz) = 6a18fe4e5ff1595b86f30c96b68844951471b0333a2940cc0031feaf963a3dec -SIZE (mcodev31-libmsym-0c47befe_GH0.tar.gz) = 88596 -SHA256 (libwfa-libwfa-bbe3392a_GH0.tar.gz) = c130488370ab0df228e532c80223ded3d23d80f04d405c2912588cfcfa05d121 -SIZE (libwfa-libwfa-bbe3392a_GH0.tar.gz) = 192935 -SHA256 (Molcas-OpenMolcas-17238da5c339c41ddf14ceb88f139d57143d7a14_GL0.tar.gz) = e5d47d0624f88c5980a334aab9c8b353c679acbf1f5fb75d93277daf8dd3d18d -SIZE (Molcas-OpenMolcas-17238da5c339c41ddf14ceb88f139d57143d7a14_GL0.tar.gz) = 38467330 +SHA256 (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 6572464002360c455285db4423d208f7ca92ab4268ee425dcb7168fe2d02e948 +SIZE (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 87556 +SHA256 (libwfa-libwfa-da000b67_GH0.tar.gz) = 0375f16c8c55f8f18dfe5fe8a09adc7a0146cec779667aad6c7462b3bff48093 +SIZE (libwfa-libwfa-da000b67_GH0.tar.gz) = 195698 +SHA256 (Molcas-OpenMolcas-1cda3772686cbf99a4af695929a12d563c795ca2_GL0.tar.gz) = e4f32f00be64bbde0b263e76e97b7c0311ae5f8224f30179fefeae9822a72ec5 +SIZE (Molcas-OpenMolcas-1cda3772686cbf99a4af695929a12d563c795ca2_GL0.tar.gz) = 39553764 diff --git a/science/openmolcas/files/patch-src_mma__util_cgetshmem.c b/science/openmolcas/files/patch-src_mma__util_cgetshmem.c index 3044e1ea5261..7e19778aa38c 100644 --- a/science/openmolcas/files/patch-src_mma__util_cgetshmem.c +++ b/science/openmolcas/files/patch-src_mma__util_cgetshmem.c @@ -1,11 +1,11 @@ ---- src/mma_util/cgetshmem.c.orig 2022-05-24 05:38:26 UTC +--- src/mma_util/cgetshmem.c.orig 2023-06-12 11:58:03 UTC +++ src/mma_util/cgetshmem.c -@@ -134,6 +134,8 @@ 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); +@@ -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);*/ ++ 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);*/ diff --git a/science/openmolcas/pkg-plist b/science/openmolcas/pkg-plist index 4e1f40919aca..692fe62c5e1a 100644 --- a/science/openmolcas/pkg-plist +++ b/science/openmolcas/pkg-plist @@ -113,6 +113,7 @@ %%DATADIR%%/bin/gugaci.exe %%DATADIR%%/bin/gugadrt.exe %%DATADIR%%/bin/last_energy.exe +%%DATADIR%%/bin/level.exe %%DATADIR%%/bin/localisation.exe %%DATADIR%%/bin/loprop.exe %%DATADIR%%/bin/mbpt2.exe @@ -175,6 +176,7 @@ %%DATADIR%%/data/keyword.xml %%DATADIR%%/data/landing.txt %%DATADIR%%/data/last_energy.prgm +%%DATADIR%%/data/level.prgm %%DATADIR%%/data/localisation.prgm %%DATADIR%%/data/loprop.prgm %%DATADIR%%/data/mbpt2.prgm