git: efa44eab4350 - main - science/qmcpack: update 3.15.0 → 3.17.1

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=efa44eab4350bc3adb58b77b9c4801010ce7f8a9

commit efa44eab4350bc3adb58b77b9c4801010ce7f8a9
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2024-12-15 04:48:58 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2024-12-15 06:25:05 +0000

    science/qmcpack: update 3.15.0 → 3.17.1
---
 science/qmcpack/Makefile                                      |  6 +++---
 science/qmcpack/distinfo                                      |  6 +++---
 science/qmcpack/files/patch-CMakeLists.txt                    |  6 +++---
 ...l__codes_mpi__wrapper_mpi3_include_mpi3_detail_package.hpp | 11 +++++++++++
 4 files changed, 20 insertions(+), 9 deletions(-)

diff --git a/science/qmcpack/Makefile b/science/qmcpack/Makefile
index 3275a670a9df..bf22b3b00ae5 100644
--- a/science/qmcpack/Makefile
+++ b/science/qmcpack/Makefile
@@ -1,12 +1,12 @@
 PORTNAME=	qmcpack
 DISTVERSIONPREFIX=	v
-DISTVERSION=	3.15.0
-PORTREVISION=	6
+DISTVERSION=	3.17.1
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Many-body ab initio Quantum Monte Carlo code for quantum chemistry
-WWW=		https://www.qmcpack.org/
+WWW=		https://www.qmcpack.org/ \
+		https://github.com/QMCPACK/qmcpack
 
 LICENSE=	BSD3CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
diff --git a/science/qmcpack/distinfo b/science/qmcpack/distinfo
index a7c920cad7f5..1bbc215f233c 100644
--- a/science/qmcpack/distinfo
+++ b/science/qmcpack/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1665201281
-SHA256 (QMCPACK-qmcpack-v3.15.0_GH0.tar.gz) = cab0b78a481bac9f74d44d2ab5314443d5fb5891c5fbda4b9a46920c2aea6839
-SIZE (QMCPACK-qmcpack-v3.15.0_GH0.tar.gz) = 120993890
+TIMESTAMP = 1734220039
+SHA256 (QMCPACK-qmcpack-v3.17.1_GH0.tar.gz) = 5318e69a46c035986e560ea3d4c79dc273b67974f01715c93b017ce2a0098399
+SIZE (QMCPACK-qmcpack-v3.17.1_GH0.tar.gz) = 122344183
diff --git a/science/qmcpack/files/patch-CMakeLists.txt b/science/qmcpack/files/patch-CMakeLists.txt
index 7e555b7a8aff..b86e4b24b7b5 100644
--- a/science/qmcpack/files/patch-CMakeLists.txt
+++ b/science/qmcpack/files/patch-CMakeLists.txt
@@ -1,6 +1,6 @@
---- CMakeLists.txt.orig	2022-09-28 23:03:18 UTC
+--- CMakeLists.txt.orig	2023-08-25 11:42:03 UTC
 +++ CMakeLists.txt
-@@ -292,7 +292,7 @@ set(CMAKE_CXX_EXTENSIONS OFF)
+@@ -303,7 +303,7 @@ include(Testlibstdc++)
  include(Testlibstdc++)
  
  # Check that a C++ standard library is configured properly
@@ -9,7 +9,7 @@
  
  #-----------------------------------------------------------------------
  # SETUP SANITIZERS FLAGS
-@@ -1043,7 +1043,7 @@ include(CTest)
+@@ -1063,7 +1063,7 @@ include(CTest)
  #-------------------------------------------------------------------
  # Verify Python3 available
  #-------------------------------------------------------------------
diff --git a/science/qmcpack/files/patch-external__codes_mpi__wrapper_mpi3_include_mpi3_detail_package.hpp b/science/qmcpack/files/patch-external__codes_mpi__wrapper_mpi3_include_mpi3_detail_package.hpp
new file mode 100644
index 000000000000..74158d89089e
--- /dev/null
+++ b/science/qmcpack/files/patch-external__codes_mpi__wrapper_mpi3_include_mpi3_detail_package.hpp
@@ -0,0 +1,11 @@
+--- external_codes/mpi_wrapper/mpi3/include/mpi3/detail/package.hpp.orig	2024-12-15 00:09:27 UTC
++++ external_codes/mpi_wrapper/mpi3/include/mpi3/detail/package.hpp
+@@ -24,7 +24,7 @@ struct package : buffer {
+ 
+  public:
+ 	explicit package(communicator& comm, buffer::size_type n = 0)
+-	: buffer{n}, bcomm_{reinterpret_cast<basic_communicator&>(comm)} {  // NOLINT(cppcoreguidelines-pro-type-reinterpret-cast) TODO(correaa) break cyclic dependency of classes
++	: buffer(static_cast<size_t>(n)), bcomm_{reinterpret_cast<basic_communicator&>(comm)} {  // NOLINT(cppcoreguidelines-pro-type-reinterpret-cast) TODO(correaa) break cyclic dependency of classes
+ 		reserve(n);
+ 	}
+ 	package(package const&) = delete;