Date: Sun, 29 Mar 2026 09:59:07 +0000 From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: f24524c9e4c3 - main - science/multicharge: update 0.=?utf-8?Q?4.0 =E2=86=92?= 0.5.0 Message-ID: <69c8f7eb.32239.23b6bbf5@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=f24524c9e4c3e5a7c263fef045f3070e14a6fc47 commit f24524c9e4c3e5a7c263fef045f3070e14a6fc47 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2026-03-29 09:37:13 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2026-03-29 09:59:02 +0000 science/multicharge: update 0.4.0 → 0.5.0 --- science/multicharge/Makefile | 10 ++++++++-- science/multicharge/distinfo | 8 +++++--- science/multicharge/pkg-plist | 9 +++++++-- 3 files changed, 20 insertions(+), 7 deletions(-) diff --git a/science/multicharge/Makefile b/science/multicharge/Makefile index db7c0f26fa03..a0fe13d44866 100644 --- a/science/multicharge/Makefile +++ b/science/multicharge/Makefile @@ -1,8 +1,11 @@ PORTNAME= multicharge DISTVERSIONPREFIX= v -DISTVERSION= 0.4.0 +DISTVERSION= 0.5.0 CATEGORIES= science # chemistry +PATCH_SITES= https://github.com/${GH_ACCOUNT}/${PORTNAME}/commit/ +PATCHFILES= dab74514e5af03aba9eb8a84a9f1028fe31756f4.patch:-p1 # https://github.com/grimme-lab/multicharge/pull/61 + MAINTAINER= yuri@FreeBSD.org COMMENT= Electronegativity equilibration model for atomic partial charges WWW= https://github.com/grimme-lab/multicharge/ @@ -15,9 +18,10 @@ LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \ libopenblas.so:math/openblas USES= cmake:testing fortran +USE_LDCONFIG= yes + USE_GITHUB= yes GH_ACCOUNT= grimme-lab -USE_LDCONFIG= yes CMAKE_ON= BUILD_SHARED_LIBS @@ -25,4 +29,6 @@ post-patch: # see https://github.com/toml-f/toml-f/issues/51 @${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' \ ${WRKSRC}/config/CMakeLists.txt +# tests as of 0.5.0: 100% tests passed, 0 tests failed out of 3 + .include <bsd.port.mk> diff --git a/science/multicharge/distinfo b/science/multicharge/distinfo index 3d4353fa8267..53d7fa2ba28e 100644 --- a/science/multicharge/distinfo +++ b/science/multicharge/distinfo @@ -1,3 +1,5 @@ -TIMESTAMP = 1762045153 -SHA256 (grimme-lab-multicharge-v0.4.0_GH0.tar.gz) = 7dadf50db5449bfcd8b08cfda5e89021242a7d58fa28b28865ef9421e59227fb -SIZE (grimme-lab-multicharge-v0.4.0_GH0.tar.gz) = 42763 +TIMESTAMP = 1774776785 +SHA256 (grimme-lab-multicharge-v0.5.0_GH0.tar.gz) = 6b137db34c89ab73f8cc8f2849db1679b2efa1fdec255cd77fca672d7fc8ea5c +SIZE (grimme-lab-multicharge-v0.5.0_GH0.tar.gz) = 70088 +SHA256 (dab74514e5af03aba9eb8a84a9f1028fe31756f4.patch) = c4c3cecf127787594c90e99b63738925db46aa849f71dc88483367bcb808bf77 +SIZE (dab74514e5af03aba9eb8a84a9f1028fe31756f4.patch) = 3386 diff --git a/science/multicharge/pkg-plist b/science/multicharge/pkg-plist index 4288d56145a6..553f5b7a8f40 100644 --- a/science/multicharge/pkg-plist +++ b/science/multicharge/pkg-plist @@ -1,13 +1,18 @@ bin/multicharge include/multicharge/multicharge.mod include/multicharge/multicharge_blas.mod -include/multicharge/multicharge_cutoff.mod +include/multicharge/multicharge_charge.mod include/multicharge/multicharge_ewald.mod include/multicharge/multicharge_lapack.mod include/multicharge/multicharge_model.mod +include/multicharge/multicharge_model_cache.mod +include/multicharge/multicharge_model_eeq.mod +include/multicharge/multicharge_model_eeqbc.mod +include/multicharge/multicharge_model_type.mod include/multicharge/multicharge_output.mod include/multicharge/multicharge_param.mod include/multicharge/multicharge_param_eeq2019.mod +include/multicharge/multicharge_param_eeqbc2025.mod include/multicharge/multicharge_version.mod include/multicharge/multicharge_wignerseitz.mod lib/cmake/multicharge/Findcustom-blas.cmake @@ -21,5 +26,5 @@ lib/cmake/multicharge/multicharge-targets.cmake lib/cmake/multicharge/multicharge-utils.cmake lib/libmulticharge.so lib/libmulticharge.so.0 -lib/libmulticharge.so.0.4.0 +lib/libmulticharge.so.0.5.0 libdata/pkgconfig/multicharge.pchome | help
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