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science/openmolcas: Update 22.06 → 23.06

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This commit is contained in:
Yuri Victorovich 2023-07-23 01:40:03 -07:00
parent 78e622b0c7
commit b6202143f5
4 changed files with 22 additions and 21 deletions
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9
science/openmolcas/Makefile
View file

@ -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

14
science/openmolcas/distinfo
View file

@ -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

18
science/openmolcas/files/patch-src_mma__util_cgetshmem.c
View file

@ -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);*/

2
science/openmolcas/pkg-plist
View file

@ -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