git: f8aa1411e9a7 - main - science/cp2k{,-data}: update 2024.2 → 2024.3
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Date: Wed, 11 Sep 2024 02:46:14 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=f8aa1411e9a7aeb48bef86f02e0da44acdad82fb
commit f8aa1411e9a7aeb48bef86f02e0da44acdad82fb
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2024-09-11 02:33:15 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2024-09-11 02:45:59 +0000
science/cp2k{,-data}: update 2024.2 → 2024.3
Reported by: portscout
---
science/cp2k-data/Makefile | 2 +-
science/cp2k-data/distinfo | 6 +++---
science/cp2k/Makefile | 11 ++++++-----
science/cp2k/distinfo | 6 +++---
science/cp2k/pkg-plist | 2 +-
5 files changed, 14 insertions(+), 13 deletions(-)
diff --git a/science/cp2k-data/Makefile b/science/cp2k-data/Makefile
index 02a6eafcde24..7c907612d4d4 100644
--- a/science/cp2k-data/Makefile
+++ b/science/cp2k-data/Makefile
@@ -1,6 +1,6 @@
PORTNAME= cp2k-data
DISTVERSIONPREFIX= v
-DISTVERSION= 2024.2
+DISTVERSION= 2024.3
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
diff --git a/science/cp2k-data/distinfo b/science/cp2k-data/distinfo
index cd2f39759670..19d6fc05ded2 100644
--- a/science/cp2k-data/distinfo
+++ b/science/cp2k-data/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1724607028
-SHA256 (cp2k-cp2k-v2024.2_GH0.tar.gz) = 4fae172d2288939c5542bfb6423a4301dc44d7c93c84e3a1ec3e126c46256472
-SIZE (cp2k-cp2k-v2024.2_GH0.tar.gz) = 85448978
+TIMESTAMP = 1725945190
+SHA256 (cp2k-cp2k-v2024.3_GH0.tar.gz) = 2d439541b469ee75598ac934a9a3cd02b428e9d1bd26a1d110f706d453f146ef
+SIZE (cp2k-cp2k-v2024.3_GH0.tar.gz) = 85449047
diff --git a/science/cp2k/Makefile b/science/cp2k/Makefile
index bf80e89aabb5..06cf6c241377 100644
--- a/science/cp2k/Makefile
+++ b/science/cp2k/Makefile
@@ -1,7 +1,6 @@
PORTNAME= cp2k
DISTVERSIONPREFIX= v
-DISTVERSION= 2024.2
-PORTREVISION= 1
+DISTVERSION= 2024.3
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
@@ -23,12 +22,13 @@ RUN_DEPENDS= cp2k-data>0:science/cp2k-data
TEST_DEPENDS= bash:shells/bash
USES= cmake fortran localbase:ldflags python:build,test shebangfix tar:bz2
+USE_GCC= yes # OpenMP is used from both Forran and C code, therefore C code should be compiled with GCC, otherwise it fails at run-time (same in dbcsr)
USE_GITHUB= yes
SHEBANG_GLOB= *.py
-GCC_VERSION= ${GCC_DEFAULT} # ${_USE_GCC}
+GCC_VERSION= ${GCC_DEFAULT}
MAKE_ARGS= XARCH=FreeBSD-gfortran VERSION=${VERSION} FC=gfortran${GCC_VERSION} CC=${CC} LD=gfortran${GCC_VERSION} \
DATA_DIR=${DATADIR}
@@ -38,14 +38,15 @@ FFLAGS+= -D__NO_STATM_ACCESS
BINARY_ALIAS= python=${PYTHON_CMD} python3=${PYTHON_CMD}
OPTIONS_DEFINE= LIBINT MPIX
-OPTIONS_DEFAULT= #LIBINT MPI
+OPTIONS_DEFAULT= MPIX # LIBINT
LIBINT_DESC= Use libint to evaluate integrals
LIBINT_CMAKE_BOOL= CP2K_USE_LIBINT2
LIBINT_LIB_DEPENDS= libint2.so:science/libint2
LIBINT_BROKEN= missing fortran support
-MPIX_CMAKE_BOOL= CP2K_USE_MPI
+MPIX_DESC= Use OpenMPI
+MPIX_CMAKE_BOOL= CP2K_USE_MPI
MPIX_USES= mpi:mpich
MPIX_LIB_DEPENDS= libscalapack.so:math/scalapack
MPIX_VARS= EXE_VERSION=psmp
diff --git a/science/cp2k/distinfo b/science/cp2k/distinfo
index 4eea2ac0b6fa..7b098cd32dec 100644
--- a/science/cp2k/distinfo
+++ b/science/cp2k/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1724605683
-SHA256 (cp2k-cp2k-v2024.2_GH0.tar.gz) = 4fae172d2288939c5542bfb6423a4301dc44d7c93c84e3a1ec3e126c46256472
-SIZE (cp2k-cp2k-v2024.2_GH0.tar.gz) = 85448978
+TIMESTAMP = 1725945245
+SHA256 (cp2k-cp2k-v2024.3_GH0.tar.gz) = 2d439541b469ee75598ac934a9a3cd02b428e9d1bd26a1d110f706d453f146ef
+SIZE (cp2k-cp2k-v2024.3_GH0.tar.gz) = 85449047
diff --git a/science/cp2k/pkg-plist b/science/cp2k/pkg-plist
index cab53f4c313f..bc4c988e1acf 100644
--- a/science/cp2k/pkg-plist
+++ b/science/cp2k/pkg-plist
@@ -1272,7 +1272,7 @@ lib/cmake/cp2k/modules/FindSCI.cmake
lib/cmake/cp2k/modules/FindSuperLU.cmake
lib/cmake/cp2k/modules/cp2k_utils.cmake
lib/libcp2k.so
-lib/libcp2k.so.2024.2
+lib/libcp2k.so.2024.3
libdata/pkgconfig/libcp2k.pc
%%DATADIR%%/data/ALL_BASIS_SETS
%%DATADIR%%/data/ALL_POTENTIALS