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New port: science/rmf: Library to support reading and writing of Rich Molecular Format files
This commit is contained in:
parent
a41517546f
commit
c9d2c4b709
Notes:
svn2git
2021-03-31 03:12:20 +00:00
svn path=/head/; revision=473535
@ -212,6 +212,7 @@
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SUBDIR += qcl
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SUBDIR += qtresistors
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SUBDIR += rdkit
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SUBDIR += rmf
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SUBDIR += rubygem-ai4r
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SUBDIR += rubygem-cdo
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SUBDIR += rubygem-rgeo
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26
science/rmf/Makefile
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science/rmf/Makefile
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# $FreeBSD$
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PORTNAME= rmf
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DISTVERSION= g20180614
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CATEGORIES= science graphics
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Library to support reading and writing of Rich Molecular Format files
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LICENSE= APACHE20
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LICENSE_FILE= ${WRKSRC}/COPYING
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LIB_DEPENDS= libboost_system.so:devel/boost-libs \
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libhdf5.so:science/hdf5 \
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libsz.so:science/szip
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USES= cmake:outsource python:build shebangfix
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USE_GITHUB= yes
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GH_ACCOUNT= salilab
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GH_TAGNAME= f917cf2
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SHEBANG_GLOB= *.py
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USE_LDCONFIG= yes
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BINARY_ALIAS= python=${PYTHON_CMD}
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.include <bsd.port.mk>
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science/rmf/distinfo
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9
science/rmf/distinfo
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@ -0,0 +1,9 @@
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TIMESTAMP = 1530254926
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SHA256 (salilab-rmf-g20180614-f917cf2_GH0.tar.gz) = 9c877539b8c7a6af38b3d7155522a90b16b3e28596ec27ac941c7f812f1a1c6f
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SIZE (salilab-rmf-g20180614-f917cf2_GH0.tar.gz) = 15087905
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SHA256 (salilab-cmake_modules-412ee17_GH0.tar.gz) = ea4867f9239f68c235183e5397804091a528af94a28de93e93bca4a3d5bc1202
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SIZE (salilab-cmake_modules-412ee17_GH0.tar.gz) = 25035
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SHA256 (salilab-developer_tools-91e94c7_GH0.tar.gz) = 6e512ca15c89803828daaa6dfc44aa836fbf4f7f72aa5240f0b3709c17d85521
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SIZE (salilab-developer_tools-91e94c7_GH0.tar.gz) = 34682
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SHA256 (salilab-avrocpp-10f7084_GH0.tar.gz) = 0d8501103ddd22c06b1f973fd48d2bbd616b4c01a1214c06412cc5d0d371361c
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SIZE (salilab-avrocpp-10f7084_GH0.tar.gz) = 123182
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45
science/rmf/files/patch-CMakeLists.txt
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science/rmf/files/patch-CMakeLists.txt
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@ -0,0 +1,45 @@
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--- CMakeLists.txt.orig 2018-06-15 00:56:51 UTC
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+++ CMakeLists.txt
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@@ -4,15 +4,15 @@ project(RMF)
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# needs to be in main CMakeLists.txt
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enable_testing()
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-execute_process(COMMAND python setup_git.py
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- RESULT_VARIABLE setup
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- OUTPUT_VARIABLE toutput
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- ERROR_VARIABLE error
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- WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}
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- OUTPUT_STRIP_TRAILING_WHITESPACE)
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-if(NOT ${setup} EQUAL 0)
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- message(FATAL_ERROR " Failed to run setup_git.py: ${setup}; ${error}")
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-endif()
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+#execute_process(COMMAND python setup_git.py
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+# RESULT_VARIABLE setup
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+# OUTPUT_VARIABLE toutput
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+# ERROR_VARIABLE error
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+# WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}
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+# OUTPUT_STRIP_TRAILING_WHITESPACE)
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+#if(NOT ${setup} EQUAL 0)
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+# message(FATAL_ERROR " Failed to run setup_git.py: ${setup}; ${error}")
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+#endif()
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set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${PROJECT_SOURCE_DIR}/cmake_modules)
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@@ -140,12 +140,12 @@ else()
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endif()
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-add_subdirectory(swig)
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+#add_subdirectory(swig)
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-add_subdirectory(test)
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-add_subdirectory(examples)
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-add_subdirectory(benchmark)
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-add_subdirectory(doc)
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+#add_subdirectory(test)
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+#add_subdirectory(examples)
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+#add_subdirectory(benchmark)
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+#add_subdirectory(doc)
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add_custom_target(RMF DEPENDS ${RMF_BINS} ${RMF_SWIG} ${RMF_TESTS} ${RMF_VMD} RMF-decorators)
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set_property(TARGET "RMF" PROPERTY FOLDER "RMF")
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science/rmf/pkg-descr
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science/rmf/pkg-descr
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The library provides support for the Rich Molecular Format (RMF) file format for
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storing hierarchical molecular data (such as atomic or coarse grained
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representations of proteins), along with markup, including geometry and score
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data.
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WWW: https://integrativemodeling.org/rmf/
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science/rmf/pkg-plist
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science/rmf/pkg-plist
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@ -0,0 +1,98 @@
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bin/rmf3_dump
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bin/rmf_cat
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bin/rmf_frames
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bin/rmf_info
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bin/rmf_interpolate
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bin/rmf_pdb
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bin/rmf_show
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bin/rmf_signature
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bin/rmf_slice
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bin/rmf_transform
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bin/rmf_update
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bin/rmf_validate
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bin/rmf_xml
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include/RMF/BufferConstHandle.h
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include/RMF/BufferHandle.h
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include/RMF/CoordinateTransformer.h
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include/RMF/Decorator.h
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include/RMF/Enum.h
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include/RMF/FileConstHandle.h
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include/RMF/FileHandle.h
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include/RMF/HDF5.h
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include/RMF/HDF5/ConstAttributes.h
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include/RMF/HDF5/ConstDataSetD.h
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include/RMF/HDF5/ConstFile.h
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include/RMF/HDF5/ConstGroup.h
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include/RMF/HDF5/DataSetAccessPropertiesD.h
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include/RMF/HDF5/DataSetCreationPropertiesD.h
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include/RMF/HDF5/DataSetD.h
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include/RMF/HDF5/DataSetIndexD.h
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include/RMF/HDF5/File.h
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include/RMF/HDF5/Group.h
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include/RMF/HDF5/MutableAttributes.h
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include/RMF/HDF5/Object.h
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include/RMF/HDF5/handle.h
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include/RMF/HDF5/infrastructure_macros.h
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include/RMF/HDF5/internal/types.h
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include/RMF/HDF5/types.h
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include/RMF/ID.h
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include/RMF/Label.h
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include/RMF/NodeConstHandle.h
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include/RMF/NodeHandle.h
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include/RMF/Nullable.h
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include/RMF/RestoreCurrentFrame.h
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include/RMF/SetCurrentFrame.h
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include/RMF/TraverseHelper.h
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include/RMF/Vector.h
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include/RMF/compiler_macros.h
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include/RMF/config.h
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include/RMF/constants.h
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include/RMF/decorator/alias.h
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include/RMF/decorator/alternatives.h
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include/RMF/decorator/bond.h
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include/RMF/decorator/external.h
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include/RMF/decorator/feature.h
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include/RMF/decorator/labels.h
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include/RMF/decorator/physics.h
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include/RMF/decorator/provenance.h
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include/RMF/decorator/publication.h
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include/RMF/decorator/reference.h
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include/RMF/decorator/representation.h
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include/RMF/decorator/sequence.h
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include/RMF/decorator/shape.h
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include/RMF/decorators.h
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include/RMF/enums.h
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include/RMF/exceptions.h
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include/RMF/info.h
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include/RMF/infrastructure_macros.h
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include/RMF/internal/SharedData.h
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include/RMF/internal/SharedDataCategory.h
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include/RMF/internal/SharedDataData.h
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include/RMF/internal/SharedDataData_impl.h
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include/RMF/internal/SharedDataFile.h
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include/RMF/internal/SharedDataFrames.h
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include/RMF/internal/SharedDataHierarchy.h
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include/RMF/internal/SharedDataKeys.h
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include/RMF/internal/SharedDataUserData.h
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include/RMF/internal/SharedData_impl.h
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include/RMF/internal/Transform.h
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include/RMF/internal/errors.h
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include/RMF/internal/hash.h
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include/RMF/internal/irange.h
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include/RMF/internal/large_set_map.h
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include/RMF/internal/paths.h
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include/RMF/internal/shared_data_factories.h
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include/RMF/internal/shared_data_ranges.h
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include/RMF/internal/small_set_map.h
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include/RMF/internal/swig_helpers.h
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include/RMF/internal/use.h
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include/RMF/keys.h
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include/RMF/log.h
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include/RMF/names.h
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include/RMF/show_hierarchy.h
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include/RMF/signature.h
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include/RMF/traits.h
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include/RMF/types.h
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include/RMF/utility.h
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include/RMF/validate.h
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lib/libRMF.so
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