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ESMTPS id 4QTwCW4RX8zqBl; Sun, 28 May 2023 23:41:11 +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 34SNfBrf018502; Sun, 28 May 2023 23:41:11 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 34SNfB6r018501; Sun, 28 May 2023 23:41:11 GMT (envelope-from git) Date: Sun, 28 May 2023 23:41:11 GMT Message-Id: <202305282341.34SNfB6r018501@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: 294400f8d06a - main - =?utf-8?Q?science/{,py-}gemmi:=20Update=200.6.0=20=E2=86=92=200.6.2?= List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@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: 294400f8d06a8ec06875462ce0a2cc792382efe3 Auto-Submitted: auto-generated X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=294400f8d06a8ec06875462ce0a2cc792382efe3 commit 294400f8d06a8ec06875462ce0a2cc792382efe3 Author: Yuri Victorovich AuthorDate: 2023-05-28 21:26:27 +0000 Commit: Yuri Victorovich CommitDate: 2023-05-28 23:41:04 +0000 science/{,py-}gemmi: Update 0.6.0 → 0.6.2 Reported by: portscout --- science/gemmi/Makefile | 4 +- science/gemmi/distinfo | 6 +- science/gemmi/pkg-plist | 6 +- science/py-gemmi/Makefile | 5 +- science/py-gemmi/distinfo | 6 +- science/py-gemmi/files/patch-CMakeLists.txt | 108 +++++++++------------------- science/py-gemmi/pkg-plist | 10 +-- 7 files changed, 54 insertions(+), 91 deletions(-) diff --git a/science/gemmi/Makefile b/science/gemmi/Makefile index d7c8acf02019..db62f5f0ecbd 100644 --- a/science/gemmi/Makefile +++ b/science/gemmi/Makefile @@ -1,6 +1,6 @@ PORTNAME= gemmi DISTVERSIONPREFIX= v -DISTVERSION= 0.6.0 +DISTVERSION= 0.6.2 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org @@ -10,7 +10,7 @@ WWW= https://gemmi.readthedocs.io/en/latest/ LICENSE= MPL20 LICENSE_FILE= ${WRKSRC}/LICENSE.txt -USES= cmake:testing compiler:c++17-lang # tests don't run, see https://github.com/project-gemmi/gemmi/issues/231 +USES= cmake:testing compiler:c++20-lang # tests don't run, see https://github.com/project-gemmi/gemmi/issues/231 USE_GITHUB= yes GH_ACCOUNT= project-gemmi diff --git a/science/gemmi/distinfo b/science/gemmi/distinfo index 51fc30631c42..64807762f6b8 100644 --- a/science/gemmi/distinfo +++ b/science/gemmi/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1678123316 -SHA256 (project-gemmi-gemmi-v0.6.0_GH0.tar.gz) = 5f033dded4bf1f3d8fa88636d798aea70bfb2a2f0e209fd517b36d773f83588d -SIZE (project-gemmi-gemmi-v0.6.0_GH0.tar.gz) = 1737083 +TIMESTAMP = 1685300431 +SHA256 (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = d225548ddf4289d7adb9a0cce725cf4853474b9903399080f4770c77d4c18929 +SIZE (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = 1733298 diff --git a/science/gemmi/pkg-plist b/science/gemmi/pkg-plist index 5cf31def8fae..27bea19e9241 100644 --- a/science/gemmi/pkg-plist +++ b/science/gemmi/pkg-plist @@ -9,6 +9,7 @@ include/gemmi/atox.hpp include/gemmi/bessel.hpp include/gemmi/binner.hpp include/gemmi/blob.hpp +include/gemmi/bond_idx.hpp include/gemmi/c4322.hpp include/gemmi/calculate.hpp include/gemmi/ccp4.hpp @@ -58,6 +59,7 @@ include/gemmi/neighbor.hpp include/gemmi/neutron92.hpp include/gemmi/numb.hpp include/gemmi/pdb.hpp +include/gemmi/pdb_id.hpp include/gemmi/pirfasta.hpp include/gemmi/polyheur.hpp include/gemmi/qcp.hpp @@ -65,10 +67,7 @@ include/gemmi/read_cif.hpp include/gemmi/read_map.hpp include/gemmi/recgrid.hpp include/gemmi/reciproc.hpp -include/gemmi/refine/geom.hpp -include/gemmi/refine/ll.hpp include/gemmi/refln.hpp -include/gemmi/reindex.hpp include/gemmi/remarks.hpp include/gemmi/resinfo.hpp include/gemmi/riding_h.hpp @@ -87,7 +86,6 @@ include/gemmi/symmetry.hpp include/gemmi/third_party/fast_float.h include/gemmi/third_party/pocketfft_hdronly.h include/gemmi/third_party/sajson.h -include/gemmi/third_party/stb_sprintf.h include/gemmi/third_party/tao/LICENSE include/gemmi/third_party/tao/NOTES include/gemmi/third_party/tao/pegtl.hpp diff --git a/science/py-gemmi/Makefile b/science/py-gemmi/Makefile index 167af8a9ef98..9e09144588fb 100644 --- a/science/py-gemmi/Makefile +++ b/science/py-gemmi/Makefile @@ -1,6 +1,6 @@ PORTNAME= gemmi DISTVERSIONPREFIX= v -DISTVERSION= 0.6.0 +DISTVERSION= 0.6.2 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -24,11 +24,14 @@ USE_GITHUB= yes GH_ACCOUNT= project-gemmi CMAKE_ON= USE_PYTHON +CMAKE_OFF= BUILD_GEMMI_PROGRAM CMAKE_ARGS= -DPython_EXECUTABLE=${PYTHON_CMD} TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} TEST_WRKSRC= ${BUILD_WRKSRC}/tests +PLIST_SUB= VER=${PORTVERSION} + do-test: @cd ${WRKSRC} && ${SETENV} ${TEST_ENV} ${PYTHON_CMD} -m unittest discover -v tests/ diff --git a/science/py-gemmi/distinfo b/science/py-gemmi/distinfo index 78fe3395fb96..f3c4d131e6b0 100644 --- a/science/py-gemmi/distinfo +++ b/science/py-gemmi/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1678255262 -SHA256 (project-gemmi-gemmi-v0.6.0_GH0.tar.gz) = 5f033dded4bf1f3d8fa88636d798aea70bfb2a2f0e209fd517b36d773f83588d -SIZE (project-gemmi-gemmi-v0.6.0_GH0.tar.gz) = 1737083 +TIMESTAMP = 1685301047 +SHA256 (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = d225548ddf4289d7adb9a0cce725cf4853474b9903399080f4770c77d4c18929 +SIZE (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = 1733298 diff --git a/science/py-gemmi/files/patch-CMakeLists.txt b/science/py-gemmi/files/patch-CMakeLists.txt index aa925ae1bb93..943a0ad5a5cc 100644 --- a/science/py-gemmi/files/patch-CMakeLists.txt +++ b/science/py-gemmi/files/patch-CMakeLists.txt @@ -1,42 +1,40 @@ -- workaround for https://github.com/project-gemmi/gemmi/issues/257 - ---- CMakeLists.txt.orig 2023-03-06 11:12:31 UTC +--- CMakeLists.txt.orig 2023-05-25 12:37:36 UTC +++ CMakeLists.txt -@@ -182,21 +182,23 @@ if (GEMMI_VERSION_INFO) +@@ -187,20 +187,21 @@ if (GEMMI_VERSION_INFO) target_compile_definitions(options PRIVATE GEMMI_VERSION_INFO=${GEMMI_VERSION_INFO}) endif() -add_library(gemmi_cpp -- src/crd.cpp src/mmcif.cpp src/mtz.cpp src/mtz2cif.cpp -- src/polyheur.cpp -- src/read_cif.cpp src/mmread_gz.cpp src/resinfo.cpp +- src/assembly.cpp src/calculate.cpp src/crd.cpp src/eig3.cpp +- src/mmcif.cpp src/mmread_gz.cpp src/mtz.cpp src/mtz2cif.cpp +- src/polyheur.cpp src/read_cif.cpp src/resinfo.cpp - src/riding_h.cpp src/sprintf.cpp src/to_mmcif.cpp - src/to_pdb.cpp src/monlib.cpp src/topo.cpp src/xds_ascii.cpp) -set_property(TARGET gemmi_cpp PROPERTY POSITION_INDEPENDENT_CODE ON) +#add_library(gemmi_cpp -+# src/crd.cpp src/mmcif.cpp src/mtz.cpp src/mtz2cif.cpp -+# src/polyheur.cpp -+# src/read_cif.cpp src/mmread_gz.cpp src/resinfo.cpp ++# src/assembly.cpp src/calculate.cpp src/crd.cpp src/eig3.cpp ++# src/mmcif.cpp src/mmread_gz.cpp src/mtz.cpp src/mtz2cif.cpp ++# src/polyheur.cpp src/read_cif.cpp src/resinfo.cpp +# src/riding_h.cpp src/sprintf.cpp src/to_mmcif.cpp +# src/to_pdb.cpp src/monlib.cpp src/topo.cpp src/xds_ascii.cpp) +#set_property(TARGET gemmi_cpp PROPERTY POSITION_INDEPENDENT_CODE ON) #set_property(TARGET gemmi_cpp PROPERTY CXX_VISIBILITY_PRESET hidden) -target_compile_definitions(gemmi_cpp PRIVATE GEMMI_BUILD) -+#target_compile_definitions(gemmi_cpp PRIVATE GEMMI_BUILD) - if (BUILD_SHARED_LIBS) +-if (BUILD_SHARED_LIBS) - target_compile_definitions(gemmi_cpp PUBLIC GEMMI_SHARED) -+ #target_compile_definitions(gemmi_cpp PUBLIC GEMMI_SHARED) - endif() +-endif() -support_gz(gemmi_cpp) ++#target_compile_definitions(gemmi_cpp PRIVATE GEMMI_BUILD) ++#if (BUILD_SHARED_LIBS) ++# target_compile_definitions(gemmi_cpp PUBLIC GEMMI_SHARED) ++#endif() +#support_gz(gemmi_cpp) +find_package(gemmi REQUIRED) -+ # Gemmi subcommands compiled as individual binaries. # Not built by default and used mostly for testing. - function(add_single_prog target) -@@ -204,7 +206,7 @@ function(add_single_prog target) +@@ -209,7 +210,7 @@ function(add_single_prog target) add_executable(gemmi-${target} EXCLUDE_FROM_ALL prog/${target}.cpp ${arg_ADD_SRC} $) if (NOT arg_NOLIB) @@ -45,55 +43,16 @@ endif() if (arg_GZ) support_gz(gemmi-${target}) -@@ -243,29 +245,29 @@ add_single_prog(wcn) - add_single_prog(xds2mtz GZ) - - # gemmi program with a number of subcommands --add_executable(gemmi_prog -- prog/align.cpp prog/blobs.cpp -- prog/cif2mtz.cpp prog/cif2json.cpp prog/contact.cpp -- prog/contents.cpp prog/convert.cpp prog/fprime.cpp -- prog/grep.cpp prog/h.cpp prog/json2cif.cpp -- prog/main.cpp prog/map.cpp prog/map2sf.cpp -- prog/mapcoef.cpp prog/mask.cpp -- prog/merge.cpp prog/mondiff.cpp prog/mtz.cpp prog/mtz2cif.cpp -- prog/prep.cpp prog/reindex.cpp prog/residues.cpp prog/rmsz.cpp -- prog/sf2map.cpp prog/sfcalc.cpp prog/sg.cpp prog/tags.cpp -- prog/validate.cpp prog/validate_mon.cpp prog/wcn.cpp -- prog/xds2mtz.cpp -- $) +@@ -261,7 +262,7 @@ add_executable(gemmi_prog + prog/validate.cpp prog/validate_mon.cpp prog/wcn.cpp + prog/xds2mtz.cpp + $) -target_link_libraries(gemmi_prog PRIVATE gemmi_cpp) --support_gz(gemmi_prog) --target_compile_definitions(gemmi_prog PRIVATE GEMMI_ALL_IN_ONE=1) --set_property(TARGET gemmi_prog PROPERTY OUTPUT_NAME gemmi) -+#add_executable(gemmi_prog -+# prog/align.cpp prog/blobs.cpp -+# prog/cif2mtz.cpp prog/cif2json.cpp prog/contact.cpp -+# prog/contents.cpp prog/convert.cpp prog/fprime.cpp -+# prog/grep.cpp prog/h.cpp prog/json2cif.cpp -+# prog/main.cpp prog/map.cpp prog/map2sf.cpp -+# prog/mapcoef.cpp prog/mask.cpp -+# prog/merge.cpp prog/mondiff.cpp prog/mtz.cpp prog/mtz2cif.cpp -+# prog/prep.cpp prog/reindex.cpp prog/residues.cpp prog/rmsz.cpp -+# prog/sf2map.cpp prog/sfcalc.cpp prog/sg.cpp prog/tags.cpp -+# prog/validate.cpp prog/validate_mon.cpp prog/wcn.cpp -+# prog/xds2mtz.cpp -+# $) +#target_link_libraries(gemmi_prog PRIVATE gemmi_cpp) -+#support_gz(gemmi_prog) -+#target_compile_definitions(gemmi_prog PRIVATE GEMMI_ALL_IN_ONE=1) -+#set_property(TARGET gemmi_prog PROPERTY OUTPUT_NAME gemmi) - if (WIN32 AND USE_WMAIN) - # _UNICODE=1 is now set globally - #target_compile_definitions(gemmi_prog PRIVATE _UNICODE=1) - if(MINGW) - # target_link_options were added in cmake 3.13 -- set_property(TARGET gemmi_prog PROPERTY LINK_FLAGS "-municode") -+ #set_property(TARGET gemmi_prog PROPERTY LINK_FLAGS "-municode") - endif() - endif() - -@@ -284,10 +286,10 @@ add_executable(doc_example EXCLUDE_FROM_ALL + support_gz(gemmi_prog) + target_compile_definitions(gemmi_prog PRIVATE GEMMI_ALL_IN_ONE=1) + set_property(TARGET gemmi_prog PROPERTY OUTPUT_NAME gemmi) +@@ -301,10 +302,10 @@ add_executable(doc_example EXCLUDE_FROM_ALL docs/code/cell.cpp src/resinfo.cpp) add_executable(doc_example2 EXCLUDE_FROM_ALL docs/code/cif_cc.cpp) add_executable(doc_maybegz EXCLUDE_FROM_ALL docs/code/maybegz.cpp docs/code/mutate.cpp) @@ -106,7 +65,7 @@ support_gz(doc_newmtz) # always compile these tests with assertions enabled -@@ -296,7 +298,7 @@ if (CMAKE_CXX_COMPILER_ID MATCHES "Clang|GNU|Intel") +@@ -313,7 +314,7 @@ if (CMAKE_CXX_COMPILER_ID MATCHES "Clang|GNU|Intel") endif() add_executable(test_disulf EXCLUDE_FROM_ALL tests/disulf.cpp) @@ -115,7 +74,7 @@ support_gz(test_disulf) # auth_label requires and -lstdc++fs -@@ -307,7 +309,7 @@ endif() +@@ -324,7 +325,7 @@ endif() support_gz(auth_label) add_executable(check_conn EXCLUDE_FROM_ALL examples/check_conn.cpp) @@ -124,7 +83,7 @@ enable_testing() -@@ -344,7 +346,7 @@ if (benchmark_FOUND) +@@ -361,7 +362,7 @@ if (benchmark_FOUND) foreach(b stoi elem mod niggli pdb resinfo round sym) add_executable(${b}-bm EXCLUDE_FROM_ALL benchmarks/${b}.cpp) if (b MATCHES "resinfo|pdb") @@ -133,10 +92,10 @@ endif() target_link_libraries(${b}-bm PRIVATE benchmark::benchmark) set_property(TARGET ${b}-bm PROPERTY RUNTIME_OUTPUT_DIRECTORY -@@ -372,8 +374,8 @@ if (USE_PYTHON) +@@ -389,8 +390,8 @@ if (USE_PYTHON) python/mtz.cpp python/read.cpp python/recgrid.cpp python/scaling.cpp python/search.cpp - python/sf.cpp python/sym.cpp python/topo.cpp python/refine.cpp + python/sf.cpp python/sym.cpp python/topo.cpp - python/unitcell.cpp python/write.cpp - $) + python/unitcell.cpp python/write.cpp) @@ -144,17 +103,20 @@ set_property(TARGET gemmi_py PROPERTY OUTPUT_NAME gemmi) if(CMAKE_CXX_FLAGS MATCHES "-Wshadow") target_compile_options(gemmi_py PRIVATE "-Wno-shadow") -@@ -396,18 +398,18 @@ write_basic_package_version_file(gemmi-config-version. +@@ -413,21 +414,21 @@ write_basic_package_version_file(gemmi-config-version. COMPATIBILITY AnyNewerVersion) # In CMake 3.23 we'll be able to use FILE_SET to install the headers -install(DIRECTORY include/gemmi DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}") +#install(DIRECTORY include/gemmi DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}") --install(TARGETS gemmi_prog gemmi_cpp + if (BUILD_GEMMI_PROGRAM) + install(TARGETS gemmi_prog EXPORT GemmiTargets) + endif() +-install(TARGETS gemmi_cpp - EXPORT GemmiTargets - INCLUDES DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}") -+#install(TARGETS gemmi_prog gemmi_cpp ++#install(TARGETS gemmi_cpp +# EXPORT GemmiTargets +# INCLUDES DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}") @@ -173,7 +135,7 @@ if (USE_PYTHON) if (DEFINED PYTHON_INSTALL_DIR) -@@ -421,8 +423,8 @@ if (USE_PYTHON) +@@ -441,8 +442,8 @@ if (USE_PYTHON) # and don't respect CMAKE_INSTALL_PREFIX. # https://discourse.cmake.org/t/findpython3-how-to-specify-local-installation-directory-for-python-module/3580/5 install(TARGETS gemmi_py DESTINATION "${Python_SITEARCH}") diff --git a/science/py-gemmi/pkg-plist b/science/py-gemmi/pkg-plist index 2ee4a839a8fb..78af5dd8e045 100644 --- a/science/py-gemmi/pkg-plist +++ b/science/py-gemmi/pkg-plist @@ -1,6 +1,6 @@ -%%PYTHON_SITELIBDIR%%/gemmi-0.6.0-py%%PYTHON_VER%%.egg-info/PKG-INFO -%%PYTHON_SITELIBDIR%%/gemmi-0.6.0-py%%PYTHON_VER%%.egg-info/SOURCES.txt -%%PYTHON_SITELIBDIR%%/gemmi-0.6.0-py%%PYTHON_VER%%.egg-info/dependency_links.txt -%%PYTHON_SITELIBDIR%%/gemmi-0.6.0-py%%PYTHON_VER%%.egg-info/not-zip-safe -%%PYTHON_SITELIBDIR%%/gemmi-0.6.0-py%%PYTHON_VER%%.egg-info/top_level.txt +%%PYTHON_SITELIBDIR%%/gemmi-%%VER%%-py%%PYTHON_VER%%.egg-info/PKG-INFO +%%PYTHON_SITELIBDIR%%/gemmi-%%VER%%-py%%PYTHON_VER%%.egg-info/SOURCES.txt +%%PYTHON_SITELIBDIR%%/gemmi-%%VER%%-py%%PYTHON_VER%%.egg-info/dependency_links.txt +%%PYTHON_SITELIBDIR%%/gemmi-%%VER%%-py%%PYTHON_VER%%.egg-info/not-zip-safe +%%PYTHON_SITELIBDIR%%/gemmi-%%VER%%-py%%PYTHON_VER%%.egg-info/top_level.txt %%PYTHON_SITELIBDIR%%/gemmi%%PYTHON_EXT_SUFFIX%%.so