diff --git a/science/mctc-lib/Makefile b/science/mctc-lib/Makefile index bc3e49e552fe..5837b759a4c8 100644 --- a/science/mctc-lib/Makefile +++ b/science/mctc-lib/Makefile @@ -1,24 +1,23 @@ PORTNAME= mctc-lib DISTVERSIONPREFIX= v -DISTVERSION= 0.2.4 -PORTREVISION= 1 +DISTVERSION= 0.2.5 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org COMMENT= Computation tool chain library to work with molecular structure data LICENSE= APACHE20 LICENSE_FILE= ${WRKSRC}/LICENSE USES= cmake:testing fortran USE_LDCONFIG= yes USE_GITHUB= yes GH_ACCOUNT= grimme-lab CMAKE_ON= BUILD_SHARED_LIBS post-patch: # see https://github.com/toml-f/toml-f/issues/51 @${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt ${WRKSRC}/CMakeLists.txt .include diff --git a/science/mctc-lib/distinfo b/science/mctc-lib/distinfo index e808e726cfd8..b9a8cdf000e5 100644 --- a/science/mctc-lib/distinfo +++ b/science/mctc-lib/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1642529329 -SHA256 (grimme-lab-mctc-lib-v0.2.4_GH0.tar.gz) = ca728d129c4bb0a06ed37183e3a8e2659d5fbbec2278c3f6569fb638314129d1 -SIZE (grimme-lab-mctc-lib-v0.2.4_GH0.tar.gz) = 93981 +TIMESTAMP = 1645979191 +SHA256 (grimme-lab-mctc-lib-v0.2.5_GH0.tar.gz) = 57fe220ca091e37b2e09387190dc16e556f8d2bf1c1a4280c8951ef864972a76 +SIZE (grimme-lab-mctc-lib-v0.2.5_GH0.tar.gz) = 113951 diff --git a/science/mctc-lib/pkg-plist b/science/mctc-lib/pkg-plist index 130a316d306c..249dc849cba7 100644 --- a/science/mctc-lib/pkg-plist +++ b/science/mctc-lib/pkg-plist @@ -1,44 +1,48 @@ bin/mctc-convert include/mctc-lib/mctc_env.mod include/mctc-lib/mctc_env_accuracy.mod include/mctc-lib/mctc_env_error.mod include/mctc-lib/mctc_env_system.mod include/mctc-lib/mctc_env_testing.mod include/mctc-lib/mctc_io.mod include/mctc-lib/mctc_io_constants.mod include/mctc-lib/mctc_io_convert.mod include/mctc-lib/mctc_io_filetype.mod include/mctc-lib/mctc_io_math.mod include/mctc-lib/mctc_io_read.mod +include/mctc-lib/mctc_io_read_aims.mod include/mctc-lib/mctc_io_read_ctfile.mod include/mctc-lib/mctc_io_read_gaussian.mod include/mctc-lib/mctc_io_read_genformat.mod include/mctc-lib/mctc_io_read_pdb.mod +include/mctc-lib/mctc_io_read_qchem.mod include/mctc-lib/mctc_io_read_qcschema.mod include/mctc-lib/mctc_io_read_turbomole.mod include/mctc-lib/mctc_io_read_vasp.mod include/mctc-lib/mctc_io_read_xyz.mod include/mctc-lib/mctc_io_resize.mod include/mctc-lib/mctc_io_structure.mod include/mctc-lib/mctc_io_structure_info.mod include/mctc-lib/mctc_io_symbols.mod include/mctc-lib/mctc_io_utils.mod include/mctc-lib/mctc_io_write.mod +include/mctc-lib/mctc_io_write_aims.mod include/mctc-lib/mctc_io_write_ctfile.mod include/mctc-lib/mctc_io_write_gaussian.mod include/mctc-lib/mctc_io_write_genformat.mod include/mctc-lib/mctc_io_write_pdb.mod +include/mctc-lib/mctc_io_write_qchem.mod include/mctc-lib/mctc_io_write_qcschema.mod include/mctc-lib/mctc_io_write_turbomole.mod include/mctc-lib/mctc_io_write_vasp.mod include/mctc-lib/mctc_io_write_xyz.mod include/mctc-lib/mctc_version.mod lib/cmake/mctc-lib/Findjsonfortran.cmake lib/cmake/mctc-lib/mctc-lib-config-version.cmake lib/cmake/mctc-lib/mctc-lib-config.cmake lib/cmake/mctc-lib/mctc-lib-targets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/mctc-lib/mctc-lib-targets.cmake lib/libmctc-lib.so lib/libmctc-lib.so.0 -lib/libmctc-lib.so.0.2.4 +lib/libmctc-lib.so.0.2.5 libdata/pkgconfig/mctc-lib.pc