From owner-dev-commits-ports-all@freebsd.org Fri Jun 4 17:56:43 2021 Return-Path: Delivered-To: dev-commits-ports-all@mailman.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.nyi.freebsd.org (Postfix) with ESMTP id 14FA8652487; Fri, 4 Jun 2021 17:56:43 +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 4FxVnl0157z4Wy4; Fri, 4 Jun 2021 17:56:43 +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 DCB24217FE; Fri, 4 Jun 2021 17:56:42 +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 154Hugqm093261; Fri, 4 Jun 2021 17:56:42 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 154HugU8093260; Fri, 4 Jun 2021 17:56:42 GMT (envelope-from git) Date: Fri, 4 Jun 2021 17:56:42 GMT Message-Id: <202106041756.154HugU8093260@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: 45f274d532be - main - science/avogadrolibs: Update 1.93.1 -> 1.94.0 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: 45f274d532bec7f309fa0bb43381b0631eec0d20 Auto-Submitted: auto-generated X-BeenThere: dev-commits-ports-all@freebsd.org X-Mailman-Version: 2.1.34 Precedence: list List-Id: Commit messages for all branches of the ports repository List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Fri, 04 Jun 2021 17:56:43 -0000 The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=45f274d532bec7f309fa0bb43381b0631eec0d20 commit 45f274d532bec7f309fa0bb43381b0631eec0d20 Author: Yuri Victorovich AuthorDate: 2021-06-04 17:53:59 +0000 Commit: Yuri Victorovich CommitDate: 2021-06-04 17:56:40 +0000 science/avogadrolibs: Update 1.93.1 -> 1.94.0 Reported by: portscout --- science/avogadrolibs/Makefile | 35 +- science/avogadrolibs/distinfo | 12 +- science/avogadrolibs/files/patch-CMakeLists.txt | 15 + ...vogadro_qtplugins_insertfragment_CMakeLists.txt | 15 + science/avogadrolibs/pkg-plist | 961 ++++++++++++++++++++- 5 files changed, 989 insertions(+), 49 deletions(-) diff --git a/science/avogadrolibs/Makefile b/science/avogadrolibs/Makefile index 00aa2afec557..648cf6be54e2 100644 --- a/science/avogadrolibs/Makefile +++ b/science/avogadrolibs/Makefile @@ -1,11 +1,10 @@ PORTNAME= avogadrolibs -DISTVERSION= 1.93.1 +DISTVERSION= 1.94.0 CATEGORIES= science PATCH_SITES= https://github.com/${GH_ACCOUNT}/${PORTNAME}/commit/ PATCHFILES= cf9d82575796d5fcabb153bdebde26843d81d83e.patch:-p1 \ - ea813f683cdd9865994c0ba94a24325e04b9f8fb.patch:-p1 \ - 0003b2155bb659b65bfb9f7f6f74620cee149305.patch:-p1 + ea813f683cdd9865994c0ba94a24325e04b9f8fb.patch:-p1 MAINTAINER= yuri@FreeBSD.org COMMENT= Avogadro2 libraries for chemical editor and visualization applications @@ -13,17 +12,23 @@ COMMENT= Avogadro2 libraries for chemical editor and visualization applications LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/LICENSE -BUILD_DEPENDS= ${LOCALBASE}/include/mmtf.hpp:science/mmtf-cpp +TEST_DEPENDS= googletest>0:devel/googletest + +USES= cmake:testing compiler:c++17-lang eigen:3,build,run # eigen needs to be 'run' because it is written into cmake files +USE_LDCONFIG= yes -USES= cmake compiler:c++11-lang eigen:3,build,run # eigen needs to be 'run' because it is written into cmake files USE_GITHUB= yes GH_ACCOUNT= OpenChemistry -USE_LDCONFIG= yes +GH_TUPLE= OpenChemistry:molecules:b1e16c5:molecules/../molecules \ + OpenChemistry:crystals:c3e2468:crystals/../crystals + +CMAKE_ON= BUILD_SHARED_LIBS +CMAKE_TESTING_ON= ENABLE_TESTING -CMAKE_ON= BUILD_SHARED_LIBS +xBINARY_ALIAS= git=false -OPTIONS_DEFINE= HDF5 LIBARCHIVE LIBMSYM MOLEQUEUE OPENGL QT5 SPGLIB VTK -OPTIONS_DEFAULT= LIBARCHIVE LIBMSYM MOLEQUEUE OPENGL QT5 SPGLIB +OPTIONS_DEFINE= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB VTK +OPTIONS_DEFAULT= LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB OPTIONS_SUB= yes HDF5_CMAKE_BOOL= USE_HDF5 @@ -38,11 +43,11 @@ LIBARCHIVE_IMPLIES= QT5 LIBMSYM_DESC= Enable optional features using libmsym LIBMSYM_CMAKE_BOOL= USE_LIBMSYM LIBMSYM_LIB_DEPENDS= libmsym.so:science/libmsym +LIBMSYM_IMPLIES= QT5 # enables the 'symmetry' Qt plugin -MOLEQUEUE_DESC= Enable the MoleQueue dependent functionality -MOLEQUEUE_CMAKE_BOOL= USE_MOLEQUEUE -MOLEQUEUE_LIB_DEPENDS= libMoleQueueClient.so:misc/molequeue -MOLEQUEUE_IMPLIES= QT5 +MMTF_DESC= Enable optional features using mmtf +MMTF_CMAKE_BOOL= USE_MMTF +MMTF_BUILD_DEPENDS= mmtf-cpp>0:science/mmtf-cpp OPENGL_CMAKE_BOOL= USE_OPENGL OPENGL_USES= gl @@ -50,12 +55,14 @@ OPENGL_USE= GL=gl,glew,glu QT5_CMAKE_BOOL= USE_QT QT5_USES= qt:5 -QT5_USE= QT=core,concurrent,gui,network,widgets,buildtools_build,qmake_build +QT5_USE= QT=core,concurrent,gui,network,svg,widgets,buildtools_build,qmake_build QT5_IMPLIES= OPENGL SPGLIB_DESC= Enable optional features using spglib SPGLIB_CMAKE_BOOL= USE_SPGLIB +SPGLIB_CMAKE_ON= -DSPGLIB_INCLUDE_DIR=${LOCALBASE}/include/spglib SPGLIB_LIB_DEPENDS= libsymspg.so:science/spglib +SPGLIB_IMPLIES= QT5 # USE_SPGLIB only installs header file without USE_QT, and also installs SpaceGroup.a with USE_QT, see https://github.com/OpenChemistry/avogadrolibs/issues/610 VTK_DESC= Enable libraries that use VTK VTK_CMAKE_BOOL= USE_VTK diff --git a/science/avogadrolibs/distinfo b/science/avogadrolibs/distinfo index 9971875570ce..416457b04363 100644 --- a/science/avogadrolibs/distinfo +++ b/science/avogadrolibs/distinfo @@ -1,9 +1,11 @@ -TIMESTAMP = 1621667297 -SHA256 (OpenChemistry-avogadrolibs-1.93.1_GH0.tar.gz) = fd15e0eef56b4d819a3e857e60331a167ffbde21937e7ba676d01ca49870bc0b -SIZE (OpenChemistry-avogadrolibs-1.93.1_GH0.tar.gz) = 3249713 +TIMESTAMP = 1622786812 +SHA256 (OpenChemistry-avogadrolibs-1.94.0_GH0.tar.gz) = 5e9efa3dd34a715e66afe33e61776fd87446f6076138b46109c319dea14bacff +SIZE (OpenChemistry-avogadrolibs-1.94.0_GH0.tar.gz) = 10893919 +SHA256 (OpenChemistry-molecules-b1e16c5_GH0.tar.gz) = 9aa48dd94022e022d2c9eb9802ba72a4bfd69c04a08a36d562bfffc7d24bf99b +SIZE (OpenChemistry-molecules-b1e16c5_GH0.tar.gz) = 207309 +SHA256 (OpenChemistry-crystals-c3e2468_GH0.tar.gz) = db4ff16c3b5e6741914ae8b5e6e7b33b1f0e8b59d28916dab4e6fa9dd65fc633 +SIZE (OpenChemistry-crystals-c3e2468_GH0.tar.gz) = 151836 SHA256 (cf9d82575796d5fcabb153bdebde26843d81d83e.patch) = b0ba5c14c71dde9978e3d3e8ab45bffb22816b94625377a64c9dad00137a7cac SIZE (cf9d82575796d5fcabb153bdebde26843d81d83e.patch) = 2669 SHA256 (ea813f683cdd9865994c0ba94a24325e04b9f8fb.patch) = 629c2863588600fb6065f89e9b8c8c6912a4b906d124381e9793d3171994a425 SIZE (ea813f683cdd9865994c0ba94a24325e04b9f8fb.patch) = 1400 -SHA256 (0003b2155bb659b65bfb9f7f6f74620cee149305.patch) = 88ef6522cbd2c2784d49e6425d0204c5f4bc672cb898dd47819f84d7cf67d781 -SIZE (0003b2155bb659b65bfb9f7f6f74620cee149305.patch) = 1056 diff --git a/science/avogadrolibs/files/patch-CMakeLists.txt b/science/avogadrolibs/files/patch-CMakeLists.txt new file mode 100644 index 000000000000..20c0a425beb4 --- /dev/null +++ b/science/avogadrolibs/files/patch-CMakeLists.txt @@ -0,0 +1,15 @@ +- git is only needed when 'molecules' and 'crystals' aren't supplied by the caller + +--- CMakeLists.txt.orig 2021-06-04 09:02:43 UTC ++++ CMakeLists.txt +@@ -31,8 +31,8 @@ set(AvogadroLibs_VERSION_MINOR "94") + set(AvogadroLibs_VERSION_PATCH "0") + set(AvogadroLibs_VERSION + "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}") +-find_package(Git) +-determine_version(${AvogadroLibs_SOURCE_DIR} ${GIT_EXECUTABLE} "AvogadroLibs") ++#find_package(Git) ++#determine_version(${AvogadroLibs_SOURCE_DIR} ${GIT_EXECUTABLE} "AvogadroLibs") + + option(BUILD_SHARED_LIBS "Build with shared libraries" ON) + diff --git a/science/avogadrolibs/files/patch-avogadro_qtplugins_insertfragment_CMakeLists.txt b/science/avogadrolibs/files/patch-avogadro_qtplugins_insertfragment_CMakeLists.txt new file mode 100644 index 000000000000..b1ec8267b5e9 --- /dev/null +++ b/science/avogadrolibs/files/patch-avogadro_qtplugins_insertfragment_CMakeLists.txt @@ -0,0 +1,15 @@ +- fix for https://github.com/OpenChemistry/avogadrolibs/issues/611 + +--- avogadro/qtplugins/insertfragment/CMakeLists.txt.orig 2021-06-02 21:02:35 UTC ++++ avogadro/qtplugins/insertfragment/CMakeLists.txt +@@ -45,8 +45,8 @@ ExternalProject_Add(crystals + BUILD_COMMAND "" + INSTALL_COMMAND "" + ) ++endif() + install(DIRECTORY "${AvogadroLibs_SOURCE_DIR}/../crystals" + DESTINATION "${INSTALL_DATA_DIR}/avogadro2" + PATTERN ".git" EXCLUDE + ) +-endif() +\ No newline at end of file diff --git a/science/avogadrolibs/pkg-plist b/science/avogadrolibs/pkg-plist index 0c8c47bb9bc9..2289b4ad25a1 100644 --- a/science/avogadrolibs/pkg-plist +++ b/science/avogadrolibs/pkg-plist @@ -46,20 +46,20 @@ include/avogadro/io/gromacsformat.h %%HDF5%%include/avogadro/io/hdf5dataformat.h include/avogadro/io/lammpsformat.h include/avogadro/io/mdlformat.h -include/avogadro/io/mmtfformat.h +%%MMTF%%include/avogadro/io/mmtfformat.h include/avogadro/io/pdbformat.h include/avogadro/io/trrformat.h include/avogadro/io/vaspformat.h include/avogadro/io/xyzformat.h -%%MOLEQUEUE%%include/avogadro/molequeue/avogadromolequeueexport.h -%%MOLEQUEUE%%include/avogadro/molequeue/batchjob.h -%%MOLEQUEUE%%include/avogadro/molequeue/inputgenerator.h -%%MOLEQUEUE%%include/avogadro/molequeue/inputgeneratordialog.h -%%MOLEQUEUE%%include/avogadro/molequeue/inputgeneratorwidget.h -%%MOLEQUEUE%%include/avogadro/molequeue/molequeuedialog.h -%%MOLEQUEUE%%include/avogadro/molequeue/molequeuemanager.h -%%MOLEQUEUE%%include/avogadro/molequeue/molequeuequeuelistmodel.h -%%MOLEQUEUE%%include/avogadro/molequeue/molequeuewidget.h +%%QT5%%include/avogadro/molequeue/avogadromolequeueexport.h +%%QT5%%include/avogadro/molequeue/batchjob.h +%%QT5%%include/avogadro/molequeue/inputgenerator.h +%%QT5%%include/avogadro/molequeue/inputgeneratordialog.h +%%QT5%%include/avogadro/molequeue/inputgeneratorwidget.h +%%QT5%%include/avogadro/molequeue/molequeuedialog.h +%%QT5%%include/avogadro/molequeue/molequeuemanager.h +%%QT5%%include/avogadro/molequeue/molequeuequeuelistmodel.h +%%QT5%%include/avogadro/molequeue/molequeuewidget.h %%QT5%%include/avogadro/qtgui/avogadroqtguiexport.h %%QT5%%include/avogadro/qtgui/backgroundfileformat.h %%QT5%%include/avogadro/qtgui/containerwidget.h @@ -135,23 +135,26 @@ include/avogadro/quantumio/nwchemlog.h %%OPENGL%%include/avogadro/rendering/visitor.h %%OPENGL%%include/avogadro/rendering/volumegeometry.h %%OPENGL%%include/avogadro/rendering/vrmlvisitor.h +%%QT5%%lib/avogadro2/libgwavi.a %%QT5%%lib/avogadro2/scripts/commands/scale.py -%%MOLEQUEUE%%lib/avogadro2/scripts/formatScripts/cclibScript.py -%%MOLEQUEUE%%lib/avogadro2/scripts/formatScripts/zyx.py +%%QT5%%lib/avogadro2/scripts/formatScripts/cclibScript.py +%%QT5%%lib/avogadro2/scripts/formatScripts/zyx.py %%QT5%%lib/avogadro2/staticplugins/BallStick.a %%QT5%%lib/avogadro2/staticplugins/BondCentric.a %%QT5%%lib/avogadro2/staticplugins/Bonding.a %%QT5%%lib/avogadro2/staticplugins/CoordinateEditor.a %%QT5%%lib/avogadro2/staticplugins/CopyPaste.a -%%MOLEQUEUE%%lib/avogadro2/staticplugins/Cp2kInput.a +%%QT5%%lib/avogadro2/staticplugins/Cp2kInput.a %%QT5%%lib/avogadro2/staticplugins/Crystal.a %%QT5%%lib/avogadro2/staticplugins/CrystalScene.a %%QT5%%lib/avogadro2/staticplugins/CustomElements.a %%QT5%%lib/avogadro2/staticplugins/Editor.a +%%QT5%%lib/avogadro2/staticplugins/FetchPDB.a %%QT5%%lib/avogadro2/staticplugins/Force.a -%%MOLEQUEUE%%lib/avogadro2/staticplugins/GamessInput.a +%%QT5%%lib/avogadro2/staticplugins/GamessInput.a %%QT5%%lib/avogadro2/staticplugins/Hydrogens.a %%QT5%%lib/avogadro2/staticplugins/ImportPQR.a +%%QT5%%lib/avogadro2/staticplugins/InsertFragment.a %%QT5%%lib/avogadro2/staticplugins/LammpsInput.a %%QT5%%lib/avogadro2/staticplugins/Licorice.a %%QT5%%lib/avogadro2/staticplugins/LineFormatInput.a @@ -167,13 +170,14 @@ include/avogadro/quantumio/nwchemlog.h %%QT5%%lib/avogadro2/staticplugins/OverlayAxes.a %%QT5%%lib/avogadro2/staticplugins/POVRay.a %%QT5%%lib/avogadro2/staticplugins/PlayerTool.a -%%QT5%%lib/avogadro2/staticplugins/ResetView.a %%LIBARCHIVE%%lib/avogadro2/staticplugins/PluginDownloader.a -%%MOLEQUEUE%%lib/avogadro2/staticplugins/QuantumInput.a -%%MOLEQUEUE%%lib/avogadro2/staticplugins/ScriptFileFormats.a +%%QT5%%lib/avogadro2/staticplugins/QuantumInput.a +%%QT5%%lib/avogadro2/staticplugins/ResetView.a +%%QT5%%lib/avogadro2/staticplugins/SVG.a +%%QT5%%lib/avogadro2/staticplugins/ScriptFileFormats.a %%QT5%%lib/avogadro2/staticplugins/Select.a %%QT5%%lib/avogadro2/staticplugins/Selection.a -%%LIBMSYM%%lib/avogadro2/staticplugins/SpaceGroup.a +%%SPGLIB%%lib/avogadro2/staticplugins/SpaceGroup.a %%QT5%%lib/avogadro2/staticplugins/Spectra.a %%QT5%%lib/avogadro2/staticplugins/Surfaces.a %%LIBMSYM%%lib/avogadro2/staticplugins/Symmetry.a @@ -183,7 +187,7 @@ include/avogadro/quantumio/nwchemlog.h %%QT5%%lib/avogadro2/staticplugins/VanDerWaals.a %%QT5%%lib/avogadro2/staticplugins/VanDerWaalsAO.a %%QT5%%lib/avogadro2/staticplugins/Wireframe.a -%%MOLEQUEUE%%lib/avogadro2/staticplugins/apbs.a +%%QT5%%lib/avogadro2/staticplugins/apbs.a %%QT5%%lib/avogadro2/staticplugins/commands.a lib/cmake/avogadrolibs/AvogadroLibsConfig.cmake lib/cmake/avogadrolibs/AvogadroLibsConfigVersion.cmake @@ -195,26 +199,923 @@ lib/cmake/avogadrolibs/FindLibArchive.cmake lib/cmake/avogadrolibs/Findlibmsym.cmake lib/libAvogadroCore.so lib/libAvogadroCore.so.1 -lib/libAvogadroCore.so.1.93.0 +lib/libAvogadroCore.so.1.94.0 lib/libAvogadroIO.so lib/libAvogadroIO.so.1 -lib/libAvogadroIO.so.1.93.0 -%%MOLEQUEUE%%lib/libAvogadroMoleQueue.so -%%MOLEQUEUE%%lib/libAvogadroMoleQueue.so.1 -%%MOLEQUEUE%%lib/libAvogadroMoleQueue.so.1.93.0 +lib/libAvogadroIO.so.1.94.0 +%%QT5%%lib/libAvogadroMoleQueue.so +%%QT5%%lib/libAvogadroMoleQueue.so.1 +%%QT5%%lib/libAvogadroMoleQueue.so.1.94.0 %%QT5%%lib/libAvogadroQtGui.so %%QT5%%lib/libAvogadroQtGui.so.1 -%%QT5%%lib/libAvogadroQtGui.so.1.93.0 +%%QT5%%lib/libAvogadroQtGui.so.1.94.0 %%QT5%%lib/libAvogadroQtOpenGL.so %%QT5%%lib/libAvogadroQtOpenGL.so.1 -%%QT5%%lib/libAvogadroQtOpenGL.so.1.93.0 +%%QT5%%lib/libAvogadroQtOpenGL.so.1.94.0 %%QT5%%lib/libAvogadroQtPlugins.so %%QT5%%lib/libAvogadroQtPlugins.so.1 -%%QT5%%lib/libAvogadroQtPlugins.so.1.93.0 +%%QT5%%lib/libAvogadroQtPlugins.so.1.94.0 lib/libAvogadroQuantumIO.so lib/libAvogadroQuantumIO.so.1 -lib/libAvogadroQuantumIO.so.1.93.0 +lib/libAvogadroQuantumIO.so.1.94.0 %%OPENGL%%lib/libAvogadroRendering.so %%OPENGL%%lib/libAvogadroRendering.so.1 -%%OPENGL%%lib/libAvogadroRendering.so.1.93.0 -%%QT5%%lib/avogadro2/libgwavi.a +%%OPENGL%%lib/libAvogadroRendering.so.1.94.0 +%%QT5%%share/avogadro2/crystals/README.md +%%QT5%%share/avogadro2/crystals/antimonides/AlSb.cif +%%QT5%%share/avogadro2/crystals/antimonides/GaSb.cif +%%QT5%%share/avogadro2/crystals/antimonides/InSb.cif +%%QT5%%share/avogadro2/crystals/arsenides/AlAs.cif +%%QT5%%share/avogadro2/crystals/arsenides/BAs.cif +%%QT5%%share/avogadro2/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif +%%QT5%%share/avogadro2/crystals/arsenides/CoAs3-Skutterudite.cif +%%QT5%%share/avogadro2/crystals/arsenides/GaAs.cif +%%QT5%%share/avogadro2/crystals/arsenides/InAs.cif +%%QT5%%share/avogadro2/crystals/arsenides/NiAs-Nickeline.cif +%%QT5%%share/avogadro2/crystals/carbides/SiC-2H-Moissanite.cif +%%QT5%%share/avogadro2/crystals/carbides/SiC-3C-beta.cif +%%QT5%%share/avogadro2/crystals/carbides/SiC-6H-alpha.cif +%%QT5%%share/avogadro2/crystals/carbides/SiC-Moissanite.cif +%%QT5%%share/avogadro2/crystals/carbides/SiC.cif +%%QT5%%share/avogadro2/crystals/carbides/W2C.cif +%%QT5%%share/avogadro2/crystals/carbides/WC.cif +%%QT5%%share/avogadro2/crystals/carbonates/CaCO3-Calcite.cif +%%QT5%%share/avogadro2/crystals/carbonates/CaMgC2O6-Dolomite.cif +%%QT5%%share/avogadro2/crystals/carbonates/Li2CO3-Zabuyelite.cif 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