diff --git a/science/openmolcas/Makefile b/science/openmolcas/Makefile index a058b27302cc..6f986684c0b0 100644 --- a/science/openmolcas/Makefile +++ b/science/openmolcas/Makefile @@ -1,66 +1,66 @@ PORTNAME= openmolcas -DISTVERSION= 23.06 +DISTVERSION= 24.06 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org COMMENT= Quantum chemistry software package WWW= https://gitlab.com/Molcas/OpenMolcas LICENSE= LGPL21 LICENSE_FILE= ${WRKSRC}/LICENSE BROKEN_armv7= build breaks: Symbol 'maxfilesize' at (1) has no IMPLICIT type; did you mean 'mxfile'? - see https://gitlab.com/Molcas/OpenMolcas/-/issues/375 BROKEN_i386= build breaks: Symbol 'maxfilesize' at (1) has no IMPLICIT type; did you mean 'mxfile'? - see https://gitlab.com/Molcas/OpenMolcas/-/issues/375 BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pyparsing>0:devel/py-pyparsing@${PY_FLAVOR} \ chemps2:science/chemps2 LIB_DEPENDS= libhdf5.so:science/hdf5 \ libsz.so:science/libaec \ libxc.so:science/libxc USES= cmake:testing fortran python shebangfix USE_GCC= yes # see https://gitlab.com/Molcas/OpenMolcas/-/issues/351 USE_GITLAB= yes GL_ACCOUNT= Molcas GL_PROJECT= OpenMolcas -GL_COMMIT= 1cda3772686cbf99a4af695929a12d563c795ca2 +GL_TAGNAME= ff0b5d1cb86ae8766625b9018d18260f07e46f52 USE_GITHUB= nodefault GH_TUPLE= Reference-LAPACK:lapack:aa631b4b:lapack/External/lapack \ ilyak:libefp:7d1ff5fd:libefp/External/efp \ mcodev31:libmsym:0e0b831c:libmsym/External/libmsym \ - libwfa:libwfa:da000b67:libwfa/External/libwfa + libwfa:libwfa:5a9954ba:libwfa/External/libwfa SHEBANG_FILES= sbin/help_doc sbin/help_func sbin/help_basis sbin/setup sbin/verify sbin/version SHEBANG_GLOB= *.py CMAKE_ON= CHEMPS2 EFPLIB MSYM # TODO GEN1INT - package doesn't install itself, WFA - breaks due to https://gitlab.com/conradsnicta/armadillo-code/-/issues/216 CMAKE_ARGS= -DEXTERNAL_LIBXC:STRING=${LOCALBASE} \ -DFREEBSD_PYTHON_VER:STRING=${PYTHON_VER} CMAKE_OFF= BUILD_TESTING CMAKE_INSTALL_PREFIX= ${DATADIR} # installed into DATADIR because it doesn't respect UNIX file path conventions, see https://gitlab.com/Molcas/OpenMolcas/-/issues/352 BINARY_ALIAS= cpp=${CPP} # cpp is called from cmake scripts BINARY_ALIAS+= python3=${PYTHON_CMD} # cpp is called from cmake scripts post-patch: # fix python path @${REINPLACE_CMD} -e "s|'/usr/bin/env python3'|'${PYTHON_CMD}'|" ${WRKSRC}/Tools/pymolcas/export.py post-install: # remove unused static libraries, see https://gitlab.com/Molcas/OpenMolcas/-/issues/354 @${RM} -r ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/lib # remove unnecessary fines @${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/CONTRIBUTORS.md @${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/LICENSE # remove empty include directory @${RMDIR} ${STAGEDIR}${DATADIR}/include # remove empty doc directory @${RMDIR} ${STAGEDIR}${DATADIR}/doc post-test: # A total of 5 test(s) failed, with 3 critical failure(s), see https://gitlab.com/Molcas/OpenMolcas/-/issues/369 @cd ${BUILD_WRKSRC} && ${STAGEDIR}${DATADIR}/pymolcas verify .include diff --git a/science/openmolcas/distinfo b/science/openmolcas/distinfo index ae41e8b1d98e..068fbd349519 100644 --- a/science/openmolcas/distinfo +++ b/science/openmolcas/distinfo @@ -1,11 +1,11 @@ -TIMESTAMP = 1690098967 +TIMESTAMP = 1718517171 SHA256 (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 04ddd43c8b1bed6447427e9dd2b4dd2ead7e2497d7a8fa5fea7f9b31f52117a2 SIZE (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 7631245 SHA256 (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 147ba9713bba4f7587c349fb19ff372c4279f011a009d09bd00ec1ae89dba868 SIZE (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 5614915 SHA256 (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 6572464002360c455285db4423d208f7ca92ab4268ee425dcb7168fe2d02e948 SIZE (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 87556 -SHA256 (libwfa-libwfa-da000b67_GH0.tar.gz) = 0375f16c8c55f8f18dfe5fe8a09adc7a0146cec779667aad6c7462b3bff48093 -SIZE (libwfa-libwfa-da000b67_GH0.tar.gz) = 195698 -SHA256 (Molcas-OpenMolcas-1cda3772686cbf99a4af695929a12d563c795ca2_GL0.tar.gz) = e4f32f00be64bbde0b263e76e97b7c0311ae5f8224f30179fefeae9822a72ec5 -SIZE (Molcas-OpenMolcas-1cda3772686cbf99a4af695929a12d563c795ca2_GL0.tar.gz) = 39553764 +SHA256 (libwfa-libwfa-5a9954ba_GH0.tar.gz) = 5764476a4505ad8b9f30534dfed0590f9b61c455e6f6e321f14fa8d51b86509f +SIZE (libwfa-libwfa-5a9954ba_GH0.tar.gz) = 195688 +SHA256 (Molcas-OpenMolcas-ff0b5d1cb86ae8766625b9018d18260f07e46f52_GL0.tar.gz) = 3849572e4ab48c7e232e5a2cd82a2a47cce7a1edae08148ff8cca6955d7b93a1 +SIZE (Molcas-OpenMolcas-ff0b5d1cb86ae8766625b9018d18260f07e46f52_GL0.tar.gz) = 40045805