diff --git a/science/libcint/Makefile b/science/libcint/Makefile index 42fb2ec9b887..0cdbf56e371f 100644 --- a/science/libcint/Makefile +++ b/science/libcint/Makefile @@ -1,32 +1,39 @@ PORTNAME= libcint DISTVERSIONPREFIX= v -DISTVERSION= 4.3.0 +DISTVERSION= 4.4.0 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= General GTO integrals for quantum chemistry LICENSE= BSD2CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE LIB_DEPENDS= libopenblas.so:math/openblas +TEST_DEPENDS= ${PYNUMPY} -USES= cmake blaslapack:openblas +USES= cmake blaslapack:openblas python:test USE_LDCONFIG= yes USE_GITHUB= yes GH_ACCOUNT= sunqm PLIST_FILES= include/cint.h \ include/cint_funcs.h \ lib/libcint.so \ lib/libcint.so.${PORTVERSION:R:R} \ lib/libcint.so.${PORTVERSION} -do-test: # tests fail: https://github.com/sunqm/libcint/issues/54 +post-patch: + @${REINPLACE_CMD} -e "s|numpy\\.ctypeslib\\.load_library('libcint', .*$$|numpy.ctypeslib.load_library('libcint', '${BUILD_WRKSRC}')|" \ + ${WRKSRC}/testsuite/test_cint4c1e.py \ + ${WRKSRC}/testsuite/test_cint.py \ + ${WRKSRC}/testsuite/test_3c2e.py + +do-test: # needs science/py-pyscf, pending https://github.com/pyscf/pyscf/issues/935 @cd ${BUILD_WRKSRC} && \ ${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DENABLE_TEST:BOOL=ON ${CMAKE_SOURCE_PATH} && \ ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \ ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test .include diff --git a/science/libcint/distinfo b/science/libcint/distinfo index fd4ff216e4b0..04d637f2f368 100644 --- a/science/libcint/distinfo +++ b/science/libcint/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1619459204 -SHA256 (sunqm-libcint-v4.3.0_GH0.tar.gz) = 9588de085ba99c4d2c650416129daf33a8bc69dad16f7a412eff6318699500cd -SIZE (sunqm-libcint-v4.3.0_GH0.tar.gz) = 42999712 +TIMESTAMP = 1620239189 +SHA256 (sunqm-libcint-v4.4.0_GH0.tar.gz) = 39a831e9131395e7ac312608981495aed3e44d0511b0700b2a1fb163b32c89c1 +SIZE (sunqm-libcint-v4.4.0_GH0.tar.gz) = 42998644