Date: Wed, 25 May 2022 20:19:04 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: ff071caeaaaf - main - science/ukrmol+: Fix tests Message-ID: <202205252019.24PKJ4eU024369@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=ff071caeaaaf9d8d9dffd1f0a106759ce943351d commit ff071caeaaaf9d8d9dffd1f0a106759ce943351d Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2022-05-25 20:18:07 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2022-05-25 20:19:02 +0000 science/ukrmol+: Fix tests ... by adding the "in" part of the project required to run tests. --- science/ukrmol+/Makefile | 26 +++++++-- science/ukrmol+/distinfo | 4 +- science/ukrmol+/files/patch-CMakeLists.txt | 14 ++--- science/ukrmol+/files/patch-out-CMakeLists.txt | 11 ++++ science/ukrmol+/pkg-plist | 77 ++++++++++++++++++++++++++ 5 files changed, 120 insertions(+), 12 deletions(-) diff --git a/science/ukrmol+/Makefile b/science/ukrmol+/Makefile index 966a9639df91..8d54c89ca671 100644 --- a/science/ukrmol+/Makefile +++ b/science/ukrmol+/Makefile @@ -1,8 +1,11 @@ PORTNAME= ukrmol+ DISTVERSION= 3.2 +PORTREVISION= 1 CATEGORIES= science # chemistry, physics -MASTER_SITES= https://zenodo.org/record/5799134/files/ -DISTNAME= ukrmol-out-${DISTVERSION} +MASTER_SITES= https://zenodo.org/record/5799134/files/:out \ + https://zenodo.org/record/5799110/files/:in # the project is a sum of two projects +DISTFILES= ukrmol-out-${DISTVERSION}${EXTRACT_SUFX}:out \ + ukrmol-in-${DISTVERSION}${EXTRACT_SUFX}:in MAINTAINER= yuri@FreeBSD.org COMMENT= Code to compute electron and positron scattering from molecules @@ -14,19 +17,34 @@ LIB_DEPENDS= libGBTO.so:science/gbtolib \ libgsl.so:math/gsl \ libopenblas.so:math/openblas -USES= cmake:testing fortran localbase python:test +USES= cmake:testing fortran localbase:ldflags python:test CMAKE_ON= BUILD_SHARED_LIBS WITH_GSL -CMAKE_OFF= BUILD_DOC WITH_GIT BUILD_TESTING +CMAKE_OFF= WITH_MPI BUILD_DOC WITH_GIT BUILD_TESTING CMAKE_TESTING_ON= BUILD_TESTING # test executables aren't built, see https://gitlab.com/Uk-amor/UKRMol/UKRmol-out/-/issues/40 CMAKE_ARGS= -DFREEBSD_DOCSDIR=${DOCSDIR} \ -DFREEBSD_PYTHON_VER=${PYTHON_VER} +CMAKE_ARGS+= -DUKRMOL_OUT_DIR=${WRKSRC_OUT} # the "out" project is built and installed from the "in" project FFLAGS+= -I${LOCALBASE}/include/gbtolib LDFLAGS+= -lGBTO +WRKSRC_OUT= ${WRKDIR}/ukrmol-out-${PORTVERSION} +WRKSRC_IN= ${WRKDIR}/ukrmol-in-${PORTVERSION} +WRKSRC= ${WRKSRC_IN} + OPTIONS_DEFINE= DOCS PORTDOCS= * +post-extract: + @cd ${WRKDIR} && ${LN} -s ukrmol-out-${PORTVERSION} ukrmol-out + +post-install: + # remove GBTOlib that it bundles + @cd ${STAGEDIR}${PREFIX} && \ + ${RM} -r bin/basis_read bin/print_orbital_table bin/scatci_integrals include/gbtolib lib/libGBTO.so + # remove an empty directory + @${RMDIR} ${STAGEDIR}${PREFIX}/include/den + .include <bsd.port.mk> diff --git a/science/ukrmol+/distinfo b/science/ukrmol+/distinfo index 60ac14f100c5..1407e245870c 100644 --- a/science/ukrmol+/distinfo +++ b/science/ukrmol+/distinfo @@ -1,3 +1,5 @@ -TIMESTAMP = 1653437446 +TIMESTAMP = 1653460437 SHA256 (ukrmol-out-3.2.tar.gz) = 9d3acc132c4128957d0a34ac8700924d3efdb7b84e37107fad6f80ac840aee59 SIZE (ukrmol-out-3.2.tar.gz) = 3722605 +SHA256 (ukrmol-in-3.2.tar.gz) = b93017d8d82a359a72f0f2326cef67c5499f3f97b518ec2a9befbfb214b5ecb4 +SIZE (ukrmol-in-3.2.tar.gz) = 8934306 diff --git a/science/ukrmol+/files/patch-CMakeLists.txt b/science/ukrmol+/files/patch-CMakeLists.txt index 1c996a58e98d..e5ecb0c130e0 100644 --- a/science/ukrmol+/files/patch-CMakeLists.txt +++ b/science/ukrmol+/files/patch-CMakeLists.txt @@ -1,11 +1,11 @@ ---- CMakeLists.txt.orig 2022-05-25 00:18:51 UTC +--- CMakeLists.txt.orig 2022-05-25 19:28:26 UTC +++ CMakeLists.txt -@@ -146,7 +146,7 @@ if(BUILD_TESTING) - add_subdirectory(tests/suite) - endif() +@@ -203,7 +203,7 @@ endif() --install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${CMAKE_INSTALL_PREFIX}") -+install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${FREEBSD_DOCSDIR}") + # install documentation + install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" +- DESTINATION "${CMAKE_INSTALL_PREFIX}") ++ DESTINATION "${FREEBSD_DOCSDIR}") # -------------------------------------------------------------------------------------------------------# - # Define distribution release target (make dist) + # Define distribution release target (make dist) # diff --git a/science/ukrmol+/files/patch-out-CMakeLists.txt b/science/ukrmol+/files/patch-out-CMakeLists.txt new file mode 100644 index 000000000000..78c7be434497 --- /dev/null +++ b/science/ukrmol+/files/patch-out-CMakeLists.txt @@ -0,0 +1,11 @@ +--- ../ukrmol-out/CMakeLists.txt.orig 2022-05-25 00:18:51 UTC ++++ ../ukrmol-out/CMakeLists.txt +@@ -146,7 +146,7 @@ if(BUILD_TESTING) + add_subdirectory(tests/suite) + endif() + +-install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${CMAKE_INSTALL_PREFIX}") ++install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${FREEBSD_DOCSDIR}") + + # -------------------------------------------------------------------------------------------------------# + # Define distribution release target (make dist) diff --git a/science/ukrmol+/pkg-plist b/science/ukrmol+/pkg-plist index 1fe3bcbdfb24..3c15ba1fb70c 100644 --- a/science/ukrmol+/pkg-plist +++ b/science/ukrmol+/pkg-plist @@ -1,29 +1,91 @@ bin/borncros bin/bound +bin/cdenprop +bin/cdenprop_all +bin/congen bin/dcs +bin/denprop bin/dipelm bin/dipole_tools bin/eigenp +bin/gtobas bin/ixsecs bin/kmatadgeneral +bin/mpi-scatci bin/mpi_rsolve bin/multidip +bin/numcbas +bin/numsbas bin/outer bin/outer-run bin/pfarm_interface +bin/phase_match +bin/phase_match_orbitals +bin/radden bin/rates bin/reson bin/rmt_interface bin/rsolve +bin/scatci bin/swinterf bin/timedel bin/tmatrx +include/bas/gtobas_data.mod +include/bas/numcbas_data.mod +include/cdenprop/cdenprop_aux.mod +include/cdenprop/cdenprop_defs.mod +include/cdenprop/cdenprop_io.mod +include/cdenprop/cdenprop_procs.mod +include/cdenprop/class_coosparsematrix_integer.mod +include/cdenprop/class_coosparsematrix_real.mod +include/cdenprop/class_molecular_properties_data.mod +include/cdenprop/class_namelists.mod +include/ci-diag/alchemy_module.mod +include/ci-diag/baseintegral_module.mod +include/ci-diag/basematrix_module.mod +include/ci-diag/ci_hamiltonian_module.mod +include/ci-diag/consts_mpi_ci.mod +include/ci-diag/contracted_hamiltonian_module.mod +include/ci-diag/contracted_symbolic_module.mod +include/ci-diag/csf_module.mod +include/ci-diag/davidsondiagonalizer_module.mod +include/ci-diag/diagonalizer_module.mod +include/ci-diag/diagonalizerresult_module.mod +include/ci-diag/dispatcher_module.mod +include/ci-diag/distributedmatrix_module.mod +include/ci-diag/hamiltonian_module.mod +include/ci-diag/lapackdiagonalizer_module.mod +include/ci-diag/m_2_matrix_sparse.mod +include/ci-diag/matrixcache_module.mod +include/ci-diag/matrixelement_module.mod +include/ci-diag/memorymanager_module.mod +include/ci-diag/options_module.mod +include/ci-diag/orbital_module.mod +include/ci-diag/parallelization_module.mod +include/ci-diag/postprocessing_module.mod +include/ci-diag/scatci_data.mod +include/ci-diag/scatci_routines.mod +include/ci-diag/solutionhandler_module.mod +include/ci-diag/sweden_module.mod +include/ci-diag/symbolic_module.mod +include/ci-diag/target_rmat_ci_module.mod +include/ci-diag/timing_module.mod +include/ci-diag/ukrmol_module.mod +include/ci-diag/uncontracted_hamiltonian_module.mod +include/ci-diag/utility_module.mod +include/ci-diag/writermatrix_module.mod include/compak/blas95_compak.mod include/compak/compak_defs.mod include/compak/compak_procs.mod include/compak/lapack95_compak.mod include/compak/photo_outerio.mod include/compak/read_inner_dipoles.mod +include/congen/congen_bstree.mod +include/congen/congen_data.mod +include/congen/congen_distribution.mod +include/congen/congen_driver.mod +include/congen/congen_pagecontrol.mod +include/congen/congen_projection.mod include/dipelm/anglib.mod include/dipelm/angmom_procs.mod include/dipelm/dipelm_defs.mod @@ -37,6 +99,14 @@ include/dipelm/dipelmio.mod include/dipelm/dipelmprocs.mod include/dipelm/properties_file_mod.mod include/dipelm/sorting.mod +include/global/algorithms.mod +include/global/consts.mod +include/global/containers.mod +include/global/params.mod +include/global/precisn.mod +include/global/swmol3_data.mod +include/global/version_control.mod +include/interfaces/maths.mod include/multidip/multidip_integ.mod include/multidip/multidip_io.mod include/multidip/multidip_levin.mod @@ -53,10 +123,17 @@ include/outer/numeric.mod include/outer/rmt_molecular_interface.mod include/outer/userdefkmat.mod include/outer/version_control.mod +include/utilities/global_utils.mod +include/utilities/integer_packing.mod +lib/libcdenprop.so lib/libcompak.so lib/libcouplings.so lib/libdipelm.so lib/libmultidip.so lib/libouter.so lib/librmt_interface.so +lib/libscatci.so +lib/libukplus_global.so +lib/libukplus_interfaces.so +lib/libukplus_utilities.so lib/libutil.so
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