From nobody Tue Jan 04 07:11:28 2022 X-Original-To: dev-commits-ports-main@mlmmj.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mlmmj.nyi.freebsd.org (Postfix) with ESMTP id 5CF04191F30A; Tue, 4 Jan 2022 07:11:30 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256 client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "R3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 4JSkLT2gGqz4r6s; Tue, 4 Jan 2022 07:11:29 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org (gitrepo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:5]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id E8E2814A2A; Tue, 4 Jan 2022 07:11:28 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.16.1/8.16.1) with ESMTP id 2047BSkV054874; Tue, 4 Jan 2022 07:11:28 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 2047BS3P054873; Tue, 4 Jan 2022 07:11:28 GMT (envelope-from git) Date: Tue, 4 Jan 2022 07:11:28 GMT Message-Id: <202201040711.2047BS3P054873@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: 1e450a952cb8 - main - science/plumed: Update 2.7.2 -> 2.8b List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: 1e450a952cb8dcc8270dbb1d5fee8e301d39d98e Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1641280289; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=a+q8QEkB2EqfhJTSCa9wBR0s38iKNPXMuaoC/LyoUbc=; b=q8qF2kwUvWSeYaA2LMb6UOuL+jDs2HFdpJcDi04LJwpApEnWV1kOcn1NETMsnH+tsOoxEx DAZXx9dupZ5cwh9ZHtiF36nyUNrTNegyrj4vsAk3ang0yODX2BRrgMPPHtbwv/NmeSTDN8 rHtcRgkV+lnEzLHZuUcxw7RB/pTqd5ANiXRyp5Fd5j9fVYyJ3xd+aJr8KAIYRmlzl65Xam E22rKPLYB67+rn9UsRq9hQ4RfZFVIi71y9nkCOLOs8CsXfkngoYDZDsnqqqNVVH9ym/ofS jF8yYDtehGT7qXWI/XH4esdsuYPX8wL9yiumLH4ks6Tq36LtUuYvnSnxJZudNw== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1641280289; a=rsa-sha256; cv=none; b=D73y/lzsw0uCojuxQeGpcOWFjcz22OJHMGVx71OrH7OsenOkeigCurr2PaXImb338KVIen ukW39qlmx+T6VsG5fXMlQ8CoMQrK6PdVx+8rBN5muawdP3DlWiWTGI5M4rfcrPEYxS455x dohG1aezufte1VPIzn2/vkQloNveetjGitAHsUZGB5G3UpFgZZ5IbfreuhYZC4yexszCEu Is0xAXSnXI/G1UU4UZ1dzI/KFQ5gTDLaOrDvyUHV6a7NSqnERs+rm6HjmSHg+rN2DC9SXK z5lAU/DyueimlsZNvL0o+tirBh3ddRLUqiSzWF+mAxzxmJ1NOIbZN29p7gfzKw== ARC-Authentication-Results: i=1; mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=1e450a952cb8dcc8270dbb1d5fee8e301d39d98e commit 1e450a952cb8dcc8270dbb1d5fee8e301d39d98e Author: Yuri Victorovich AuthorDate: 2022-01-04 06:36:45 +0000 Commit: Yuri Victorovich CommitDate: 2022-01-04 07:11:22 +0000 science/plumed: Update 2.7.2 -> 2.8b --- science/plumed/Makefile | 15 ++++++++------ science/plumed/distinfo | 6 +++--- science/plumed/pkg-plist | 54 +++++++++++++++++++++++++++--------------------- 3 files changed, 43 insertions(+), 32 deletions(-) diff --git a/science/plumed/Makefile b/science/plumed/Makefile index f5a4192bf5e9..7d6f4c961c4a 100644 --- a/science/plumed/Makefile +++ b/science/plumed/Makefile @@ -1,6 +1,6 @@ PORTNAME= plumed DISTVERSIONPREFIX= v -DISTVERSION= 2.7.2 +DISTVERSION= 2.8b CATEGORIES= science graphics MAINTAINER= yuri@FreeBSD.org @@ -11,20 +11,23 @@ LICENSE_FILE= ${WRKSRC}/COPYING.LESSER BROKEN_i386= undefined reference to `__atomic_load' -BUILD_DEPENDS= bash:shells/bash \ - xxd:editors/vim +BUILD_DEPENDS= bash:shells/bash RUN_DEPENDS= bash:shells/bash USES= autoreconf compiler:c++11-lang gmake pkgconfig shebangfix +USE_LDCONFIG= yes + SHEBANG_GLOB= *.sh -SHEBANG_FILES= src/maketools/makecmd -GNU_CONFIGURE= yes +SHEBANG_FILES= src/maketools/makecmd src/maketools/xxd + USE_GITHUB= yes GH_PROJECT= plumed2 -USE_LDCONFIG= yes +GNU_CONFIGURE= yes CONFIGURE_ARGS= --enable-shared --disable-python +TEST_TARGET= test # https://github.com/plumed/plumed2/issues/781 + post-patch: @${REINPLACE_CMD} -e 's|#! /bin/bash|#! ${LOCALBASE}/bin/bash|' ${WRKSRC}/src/lib/Makefile diff --git a/science/plumed/distinfo b/science/plumed/distinfo index 14c498df04f7..01fa05ef64b1 100644 --- a/science/plumed/distinfo +++ b/science/plumed/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1627490858 -SHA256 (plumed-plumed2-v2.7.2_GH0.tar.gz) = c9a31e68d6440828cf186ca43c9e11a5e5c7ad1c96b2b66ed5a5a141fc954373 -SIZE (plumed-plumed2-v2.7.2_GH0.tar.gz) = 106485846 +TIMESTAMP = 1641277208 +SHA256 (plumed-plumed2-v2.8b_GH0.tar.gz) = 1fccc6040951d64dfb34b10f0ed6ad8755c08e47921f2176e8121e54038ce29f +SIZE (plumed-plumed2-v2.8b_GH0.tar.gz) = 107891161 diff --git a/science/plumed/pkg-plist b/science/plumed/pkg-plist index 99b93e4e1d95..ce031e5ccc6b 100644 --- a/science/plumed/pkg-plist +++ b/science/plumed/pkg-plist @@ -195,6 +195,8 @@ include/plumed/tools/SwitchingFunction.h include/plumed/tools/Tensor.h include/plumed/tools/Tools.h include/plumed/tools/Torsion.h +include/plumed/tools/Tree.h +include/plumed/tools/TypesafePtr.h include/plumed/tools/Units.h include/plumed/tools/Vector.h include/plumed/tools/h36.h @@ -215,10 +217,15 @@ include/plumed/vesselbase/ValueVessel.h include/plumed/vesselbase/Vessel.h include/plumed/vesselbase/VesselRegister.h include/plumed/wrapper/Plumed.h +include/plumed/xdrfile/xdrfile.h +include/plumed/xdrfile/xdrfile_trr.h +include/plumed/xdrfile/xdrfile_xtc.h lib/libplumed.a lib/libplumed.so lib/libplumedKernel.so lib/libplumedWrapper.a +lib/plumed/fortran/plumed.f90 +lib/plumed/fortran/plumed_f08.f90 lib/plumed/modulefile lib/plumed/patches/gromacs-2019.6.config lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/CMakeLists.txt @@ -262,29 +269,29 @@ lib/plumed/patches/gromacs-2020.6.diff/src/gromacs/mdrun/replicaexchange.h lib/plumed/patches/gromacs-2020.6.diff/src/gromacs/mdrun/replicaexchange.h.preplumed lib/plumed/patches/gromacs-2020.6.diff/src/gromacs/mdrun/runner.cpp lib/plumed/patches/gromacs-2020.6.diff/src/gromacs/mdrun/runner.cpp.preplumed -lib/plumed/patches/gromacs-2021.config -lib/plumed/patches/gromacs-2021.diff/src/gromacs/CMakeLists.txt -lib/plumed/patches/gromacs-2021.diff/src/gromacs/CMakeLists.txt.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdlib/expanded.cpp -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdlib/expanded.cpp.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdlib/expanded.h -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdlib/expanded.h.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdlib/sim_util.cpp -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdlib/sim_util.cpp.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/legacymdrunoptions.cpp -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/legacymdrunoptions.h -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/md.cpp -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/md.cpp.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/minimize.cpp -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/minimize.cpp.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/replicaexchange.cpp -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/replicaexchange.h -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/replicaexchange.h.preplumed -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/runner.cpp -lib/plumed/patches/gromacs-2021.diff/src/gromacs/mdrun/runner.cpp.preplumed +lib/plumed/patches/gromacs-2021.4.config +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/CMakeLists.txt +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/CMakeLists.txt.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdlib/expanded.cpp +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdlib/expanded.cpp.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdlib/expanded.h +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdlib/expanded.h.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdlib/sim_util.cpp +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdlib/sim_util.cpp.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/legacymdrunoptions.cpp +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/legacymdrunoptions.h +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/md.cpp +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/md.cpp.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/minimize.cpp +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/minimize.cpp.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/replicaexchange.cpp +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/replicaexchange.h +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/replicaexchange.h.preplumed +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/runner.cpp +lib/plumed/patches/gromacs-2021.4.diff/src/gromacs/mdrun/runner.cpp.preplumed lib/plumed/patches/gromacs-4.5.7.config lib/plumed/patches/gromacs-4.5.7.diff lib/plumed/patches/namd-2.12.config @@ -406,6 +413,7 @@ lib/plumed/vim/help/FRET.txt lib/plumed/vim/help/FUNCPATHGENERAL.txt lib/plumed/vim/help/FUNCPATHMSD.txt lib/plumed/vim/help/FUNCSUMHILLS.txt +lib/plumed/vim/help/GHBFIX.txt lib/plumed/vim/help/GHOST.txt lib/plumed/vim/help/GPROPERTYMAP.txt lib/plumed/vim/help/GRID_TO_XYZ.txt