diff --git a/science/libint2-psi4/Makefile b/science/libint2-psi4/Makefile index dce366b9440e..e4c9ff1e4a42 100644 --- a/science/libint2-psi4/Makefile +++ b/science/libint2-psi4/Makefile @@ -1,49 +1,39 @@ PORTNAME= libint2-psi4 DISTVERSION= 0.1-${VERSION} -PORTREVISION= 6 CATEGORIES= science MASTER_SITES= https://github.com/loriab/libint/releases/download/v${DISTVERSION:C/-.*//}/ -DISTFILES= libint-${VERSION}-post1-5-4-3-6-5-4_mm4f12ob2_1.tgz +DISTFILES= libint-${VERSION}-5-4-3-6-5-4_mm10f12ob2_0.tgz MAINTAINER= yuri@FreeBSD.org COMMENT= Evaluate the integrals in modern atomic and molecular theory (psi4) WWW= https://github.com/evaleev/libint LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/COPYING BROKEN_aarch64= compilation fails: runaway processes and out-of-memory conditions BROKEN_i386= compilation fails: clang runs out of memory BROKEN_armv7= compilation fails: clang runs out of memory LIB_DEPENDS= libboost_thread.so:devel/boost-libs \ libgmpxx.so:math/gmp USES= cmake:testing eigen:3 python:build USE_LDCONFIG= yes -WRKSRC= ${WRKDIR}/libint-${VERSION}-post1 +WRKSRC= ${WRKDIR}/libint-${VERSION} CMAKE_ARGS= -DLIBINT2_SHGAUSS_ORDERING=gaussian \ -DPython_EXECUTABLE=${PYTHON_CMD} CMAKE_ON= BUILD_SHARED_LIBS \ REQUIRE_CXX_API CMAKE_OFF= ENABLE_FORTRAN \ REQUIRE_CXX_API_COMPILED -VERSION= 2.7.2 +VERSION= 2.8.1 PLIST_SUB+= VER=${VERSION} CONFLICTS= libint2 -OPTIONS_DEFINE= NATIVE - -NATIVE_CMAKE_BOOL= ENABLE_XHOST - -post-configure: # workaround for clang hanging on unity_1935_cxx.cxx, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=265809 - #@cd ${BUILD_WRKSRC} && \ - # ${SED} -e 's|%%BUILD_WRKSRC%%|${BUILD_WRKSRC}|g ; s|%%WRKDIR%%|${WRKDIR}|g' < ${FILESDIR}/build.patch | ${PATCH} - ${REINPLACE_CMD} -e 's| -O2 | |g' ${BUILD_WRKSRC}/build.ninja - .include diff --git a/science/libint2-psi4/distinfo b/science/libint2-psi4/distinfo index e4fb75646568..34a6eb6733b0 100644 --- a/science/libint2-psi4/distinfo +++ b/science/libint2-psi4/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1684466086 -SHA256 (libint-2.7.2-post1-5-4-3-6-5-4_mm4f12ob2_1.tgz) = 2d3a27510578f409fb080574721923c6d5bd06b13583a12d6823326be88236df -SIZE (libint-2.7.2-post1-5-4-3-6-5-4_mm4f12ob2_1.tgz) = 313189548 +TIMESTAMP = 1780341212 +SHA256 (libint-2.8.1-5-4-3-6-5-4_mm10f12ob2_0.tgz) = 9c07b8202efd66a5db6be7dc8b5ecf41a39eb73a751748f0a1f2d1eb5f883eb2 +SIZE (libint-2.8.1-5-4-3-6-5-4_mm10f12ob2_0.tgz) = 322218029 diff --git a/science/libint2-psi4/pkg-plist b/science/libint2-psi4/pkg-plist index 41113b41d5de..cbb68f593ec9 100644 --- a/science/libint2-psi4/pkg-plist +++ b/science/libint2-psi4/pkg-plist @@ -1,167 +1,146 @@ include/libint2.h include/libint2.hpp -include/libint2/GenericContract.h -include/libint2/GenericGaussDeriv.h -include/libint2/GenericGaussDeriv.impl.h -include/libint2/GenericScale.h -include/libint2/ITR_xs_xs.h -include/libint2/OSVRR_sx_sx.h -include/libint2/OSVRR_sx_sx_deriv.h -include/libint2/OSVRR_xs_xs.h -include/libint2/OSVRR_xs_xs_deriv.h -include/libint2/VRR_GTG_1d_xx_xx.h -include/libint2/VRR_GTG_1d_xx_xx_vec.h -include/libint2/VRR_r12kg12_xs_xs.h include/libint2/atom.h include/libint2/basis.h include/libint2/boys.h include/libint2/boys_cheb7.h include/libint2/boys_cheb7_v2.h include/libint2/boys_fwd.h include/libint2/braket.h include/libint2/cartesian.h include/libint2/cgshell_ordering.h include/libint2/cgshellinfo.h include/libint2/chemistry/elements.h include/libint2/chemistry/sto3g_atomic_density.h include/libint2/config.h -include/libint2/config2.h include/libint2/cxxapi.h include/libint2/deriv_iter.h include/libint2/deriv_map.h include/libint2/diis.h include/libint2/engine.h include/libint2/engine.impl.h include/libint2/initialize.h include/libint2/lcao/1body.h include/libint2/lcao/molden.h include/libint2/libint2_iface.h -include/libint2/libint2_iface_internal.h include/libint2/libint2_params.h include/libint2/libint2_types.h include/libint2/numeric.h include/libint2/shell.h include/libint2/shgshell_ordering.h include/libint2/solidharmonics.h include/libint2/statics_definition.h include/libint2/tenno_cheb.h include/libint2/tenno_cheb15.h include/libint2/tensor.h -include/libint2/tests/unit/fixture.h include/libint2/util/any.h include/libint2/util/array_adaptor.h include/libint2/util/compressed_pair.h include/libint2/util/configuration.h include/libint2/util/cxxstd.h include/libint2/util/deprecated.h include/libint2/util/generated/libint2_iface.h include/libint2/util/generated/libint2_params.h include/libint2/util/generated/libint2_types.h include/libint2/util/intpart_iter.h include/libint2/util/intrinsic_operations.h include/libint2/util/intrinsic_types.h include/libint2/util/memory.h include/libint2/util/singleton.h include/libint2/util/small_vector.h include/libint2/util/timer.h include/libint2/util/type_traits.h include/libint2/util/vector.h include/libint2/util/vector_ppc.h include/libint2/util/vector_x86.h -include/libint2/util_types.h -lib/cmake/libint2/FindEigen3.cmake lib/cmake/libint2/libint2-config-version.cmake lib/cmake/libint2/libint2-config.cmake -lib/cmake/libint2/libint2-targets-shared-%%CMAKE_BUILD_TYPE%%.cmake -lib/cmake/libint2/libint2-targets-shared.cmake -lib/libint2-cxx.so -lib/libint2-cxx.so.2 +lib/cmake/libint2/libint2-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/libint2/libint2-targets.cmake lib/libint2.so -lib/libint2.so.2 libdata/pkgconfig/libint2.pc share/libint/%%VER%%/basis/3-21g.g94 -share/libint/%%VER%%/basis/6-311g_d_p_.g94 +share/libint/%%VER%%/basis/6-311g**.g94 +share/libint/%%VER%%/basis/6-311gss.g94 +share/libint/%%VER%%/basis/6-31g**.g94 +share/libint/%%VER%%/basis/6-31g*.g94 share/libint/%%VER%%/basis/6-31g.g94 -share/libint/%%VER%%/basis/6-31g_d_.g94 -share/libint/%%VER%%/basis/6-31g_d_p_.g94 +share/libint/%%VER%%/basis/6-31gs.g94 +share/libint/%%VER%%/basis/6-31gss.g94 share/libint/%%VER%%/basis/ano-rcc.g94 share/libint/%%VER%%/basis/aug-cc-pv5z-cabs.g94 share/libint/%%VER%%/basis/aug-cc-pvdz-cabs.g94 share/libint/%%VER%%/basis/aug-cc-pvqz-cabs.g94 share/libint/%%VER%%/basis/aug-cc-pvtz-cabs.g94 share/libint/%%VER%%/basis/augmentation-cc-pv5z-jkfit.g94 share/libint/%%VER%%/basis/augmentation-cc-pv5z-ri.g94 share/libint/%%VER%%/basis/augmentation-cc-pv5z.g94 share/libint/%%VER%%/basis/augmentation-cc-pv6z-ri.g94 share/libint/%%VER%%/basis/augmentation-cc-pv6z.g94 share/libint/%%VER%%/basis/augmentation-cc-pvdz-jkfit.g94 share/libint/%%VER%%/basis/augmentation-cc-pvdz-ri.g94 share/libint/%%VER%%/basis/augmentation-cc-pvdz.g94 share/libint/%%VER%%/basis/augmentation-cc-pvqz-jkfit.g94 share/libint/%%VER%%/basis/augmentation-cc-pvqz-ri.g94 share/libint/%%VER%%/basis/augmentation-cc-pvqz.g94 share/libint/%%VER%%/basis/augmentation-cc-pvtz-jkfit.g94 share/libint/%%VER%%/basis/augmentation-cc-pvtz-ri.g94 share/libint/%%VER%%/basis/augmentation-cc-pvtz.g94 share/libint/%%VER%%/basis/cc-pv5z-jkfit.g94 share/libint/%%VER%%/basis/cc-pv5z-ri.g94 share/libint/%%VER%%/basis/cc-pv5z.g94 share/libint/%%VER%%/basis/cc-pv6z-ri.g94 share/libint/%%VER%%/basis/cc-pv6z.g94 share/libint/%%VER%%/basis/cc-pvdz-f12-cabs.g94 share/libint/%%VER%%/basis/cc-pvdz-f12.g94 share/libint/%%VER%%/basis/cc-pvdz-jkfit.g94 share/libint/%%VER%%/basis/cc-pvdz-ri.g94 share/libint/%%VER%%/basis/cc-pvdz.g94 share/libint/%%VER%%/basis/cc-pvqz-f12-cabs.g94 share/libint/%%VER%%/basis/cc-pvqz-f12.g94 share/libint/%%VER%%/basis/cc-pvqz-jkfit.g94 share/libint/%%VER%%/basis/cc-pvqz-ri.g94 share/libint/%%VER%%/basis/cc-pvqz.g94 share/libint/%%VER%%/basis/cc-pvtz-f12-cabs.g94 share/libint/%%VER%%/basis/cc-pvtz-f12.g94 share/libint/%%VER%%/basis/cc-pvtz-jkfit.g94 share/libint/%%VER%%/basis/cc-pvtz-mini.g94 share/libint/%%VER%%/basis/cc-pvtz-ri.g94 share/libint/%%VER%%/basis/cc-pvtz.g94 share/libint/%%VER%%/basis/def2-qzvp-c.g94 share/libint/%%VER%%/basis/def2-qzvp-j.g94 share/libint/%%VER%%/basis/def2-qzvp-jk.g94 share/libint/%%VER%%/basis/def2-qzvp.g94 share/libint/%%VER%%/basis/def2-qzvpd.g94 share/libint/%%VER%%/basis/def2-qzvpp-c.g94 share/libint/%%VER%%/basis/def2-qzvpp-j.g94 share/libint/%%VER%%/basis/def2-qzvpp-jk.g94 share/libint/%%VER%%/basis/def2-qzvpp.g94 share/libint/%%VER%%/basis/def2-qzvppd-c.g94 share/libint/%%VER%%/basis/def2-qzvppd.g94 share/libint/%%VER%%/basis/def2-sv(p)-c.g94 share/libint/%%VER%%/basis/def2-sv(p)-j.g94 share/libint/%%VER%%/basis/def2-sv(p)-jk.g94 share/libint/%%VER%%/basis/def2-sv(p).g94 share/libint/%%VER%%/basis/def2-sv.g94 share/libint/%%VER%%/basis/def2-svp-c.g94 share/libint/%%VER%%/basis/def2-svp-j.g94 share/libint/%%VER%%/basis/def2-svp-jk.g94 share/libint/%%VER%%/basis/def2-svp.g94 share/libint/%%VER%%/basis/def2-svpd-c.g94 share/libint/%%VER%%/basis/def2-svpd.g94 share/libint/%%VER%%/basis/def2-tzvp-c.g94 share/libint/%%VER%%/basis/def2-tzvp-j.g94 share/libint/%%VER%%/basis/def2-tzvp-jk.g94 share/libint/%%VER%%/basis/def2-tzvp.g94 share/libint/%%VER%%/basis/def2-tzvpd-c.g94 share/libint/%%VER%%/basis/def2-tzvpd.g94 share/libint/%%VER%%/basis/def2-tzvpp-c.g94 share/libint/%%VER%%/basis/def2-tzvpp-j.g94 share/libint/%%VER%%/basis/def2-tzvpp-jk.g94 share/libint/%%VER%%/basis/def2-tzvpp.g94 share/libint/%%VER%%/basis/def2-tzvppd-c.g94 share/libint/%%VER%%/basis/def2-tzvppd.g94 share/libint/%%VER%%/basis/mini.g94 share/libint/%%VER%%/basis/sto-3g.g94 share/libint/%%VER%%/basis/sto-6g.g94 -@dir include/libint2/fortran -@dir include/libint2/tests/eri -@dir include/libint2/tests/fortran -@dir include/libint2/tests/hartree-fock