science/openmolcas: Update 22.06 → 23.06

freebsd · Jul 23, 2023 · b620214 · b620214
1 parent 78e622b
commit b620214
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Showing 4 changed files with 22 additions and 21 deletions.
diff --git 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
@@ -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
@@ -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
@@ -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