diff --git a/science/mctc-lib/Makefile b/science/mctc-lib/Makefile index 882279cb0e33..95ccb75021e0 100644 --- a/science/mctc-lib/Makefile +++ b/science/mctc-lib/Makefile @@ -1,32 +1,26 @@ PORTNAME= mctc-lib DISTVERSIONPREFIX= v -DISTVERSION= 0.5.0 +DISTVERSION= 0.5.1 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org COMMENT= Computation tool chain library to work with molecular structure data WWW= https://grimme-lab.github.io/mctc-lib/ \ https://github.com/grimme-lab/mctc-lib/ LICENSE= APACHE20 LICENSE_FILE= ${WRKSRC}/LICENSE USES= cmake:testing fortran USE_LDCONFIG= yes USE_GITHUB= yes GH_ACCOUNT= grimme-lab CMAKE_ON= BUILD_SHARED_LIBS TESTING_UNSAFE= yes -post-patch: # same as https://github.com/grimme-lab/mctc-lib/pull/55 - @${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' \ - ${WRKSRC}/config/CMakeLists.txt - -# tests as of 0.5.0: 97% tests passed, 1 tests failed out of 32 -# The following tests FAILED: -# 4 - mctc-lib/ncoord (Failed) +# tests as of 0.5.1: 100% tests passed, 0 tests failed out of 32 .include diff --git a/science/mctc-lib/distinfo b/science/mctc-lib/distinfo index 66cbf479de1b..0dbe22c9cd6f 100644 --- a/science/mctc-lib/distinfo +++ b/science/mctc-lib/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1762020968 -SHA256 (grimme-lab-mctc-lib-v0.5.0_GH0.tar.gz) = ed0276618b9e1b41b5d228aedd4a1e07500472cfab5236179feb0cb55a0c8dc3 -SIZE (grimme-lab-mctc-lib-v0.5.0_GH0.tar.gz) = 189254 +TIMESTAMP = 1780881569 +SHA256 (grimme-lab-mctc-lib-v0.5.1_GH0.tar.gz) = c0b3ed75546ca6382f18b5569ce3f80c916537aaf02b208662bce6eb53338350 +SIZE (grimme-lab-mctc-lib-v0.5.1_GH0.tar.gz) = 189267 diff --git a/science/mctc-lib/pkg-plist b/science/mctc-lib/pkg-plist index e0f3a9c3afb5..861a031e8e50 100644 --- a/science/mctc-lib/pkg-plist +++ b/science/mctc-lib/pkg-plist @@ -1,69 +1,69 @@ bin/mctc-convert include/mctc-lib/modules/mctc_cutoff.mod include/mctc-lib/modules/mctc_data.mod include/mctc-lib/modules/mctc_data_atomicrad.mod include/mctc-lib/modules/mctc_data_covrad.mod include/mctc-lib/modules/mctc_data_paulingen.mod include/mctc-lib/modules/mctc_data_vdwrad.mod include/mctc-lib/modules/mctc_env.mod include/mctc-lib/modules/mctc_env_accuracy.mod include/mctc-lib/modules/mctc_env_error.mod include/mctc-lib/modules/mctc_env_system.mod include/mctc-lib/modules/mctc_env_testing.mod include/mctc-lib/modules/mctc_io.mod include/mctc-lib/modules/mctc_io_codata2018.mod include/mctc-lib/modules/mctc_io_constants.mod include/mctc-lib/modules/mctc_io_convert.mod include/mctc-lib/modules/mctc_io_filetype.mod include/mctc-lib/modules/mctc_io_math.mod include/mctc-lib/modules/mctc_io_read.mod include/mctc-lib/modules/mctc_io_read_aims.mod include/mctc-lib/modules/mctc_io_read_cjson.mod include/mctc-lib/modules/mctc_io_read_ctfile.mod include/mctc-lib/modules/mctc_io_read_gaussian.mod include/mctc-lib/modules/mctc_io_read_genformat.mod include/mctc-lib/modules/mctc_io_read_json.mod include/mctc-lib/modules/mctc_io_read_pdb.mod include/mctc-lib/modules/mctc_io_read_pymatgen.mod include/mctc-lib/modules/mctc_io_read_qchem.mod include/mctc-lib/modules/mctc_io_read_qcschema.mod include/mctc-lib/modules/mctc_io_read_turbomole.mod include/mctc-lib/modules/mctc_io_read_vasp.mod include/mctc-lib/modules/mctc_io_read_xyz.mod include/mctc-lib/modules/mctc_io_resize.mod include/mctc-lib/modules/mctc_io_structure.mod include/mctc-lib/modules/mctc_io_structure_info.mod include/mctc-lib/modules/mctc_io_symbols.mod include/mctc-lib/modules/mctc_io_utils.mod include/mctc-lib/modules/mctc_io_write.mod include/mctc-lib/modules/mctc_io_write_aims.mod include/mctc-lib/modules/mctc_io_write_cjson.mod include/mctc-lib/modules/mctc_io_write_ctfile.mod include/mctc-lib/modules/mctc_io_write_gaussian.mod include/mctc-lib/modules/mctc_io_write_genformat.mod include/mctc-lib/modules/mctc_io_write_pdb.mod include/mctc-lib/modules/mctc_io_write_pymatgen.mod include/mctc-lib/modules/mctc_io_write_qchem.mod include/mctc-lib/modules/mctc_io_write_qcschema.mod include/mctc-lib/modules/mctc_io_write_turbomole.mod include/mctc-lib/modules/mctc_io_write_vasp.mod include/mctc-lib/modules/mctc_io_write_xyz.mod include/mctc-lib/modules/mctc_ncoord.mod include/mctc-lib/modules/mctc_ncoord_dexp.mod include/mctc-lib/modules/mctc_ncoord_erf.mod include/mctc-lib/modules/mctc_ncoord_erf_dftd4.mod include/mctc-lib/modules/mctc_ncoord_erf_en.mod include/mctc-lib/modules/mctc_ncoord_exp.mod include/mctc-lib/modules/mctc_ncoord_type.mod include/mctc-lib/modules/mctc_version.mod lib/cmake/mctc-lib/Findjonquil.cmake lib/cmake/mctc-lib/Findtoml-f.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/cmake/mctc-lib/mctc-utils.cmake lib/libmctc-lib.so lib/libmctc-lib.so.0 -lib/libmctc-lib.so.0.5.0 +lib/libmctc-lib.so.0.5.1 libdata/pkgconfig/mctc-lib.pc