diff --git a/science/tinker/Makefile b/science/tinker/Makefile index 120e3541312c..b40a7b5d97c6 100644 --- a/science/tinker/Makefile +++ b/science/tinker/Makefile @@ -1,97 +1,97 @@ PORTNAME= tinker DISTVERSIONPREFIX= v -DISTVERSION= 26.1.1 +DISTVERSION= 26.1.2 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= General purpose molecular modelling package WWW= https://dasher.wustl.edu/tinker/ \ https://github.com/TinkerTools/tinker LICENSE= TINKER LICENSE_NAME= TINKER license agreement LICENSE_FILE= ${WRKSRC}/doc/license.pdf LICENSE_PERMS= auto-accept # internal academic purposes only, no commercial use LIB_DEPENDS= libfftw3.so:math/fftw3 USES= fortran gmake USE_GITHUB= yes GH_ACCOUNT= TinkerTools BUILD_WRKSRC= ${WRKSRC}/source INSTALL_WRKSRC= ${WRKSRC}/source MAKE_ENV= HAVE_G2C=yes MAKE_ARGS= RANLIB=ranlib BINDIR=${STAGEDIR}${PREFIX}/bin LIBS="${LOCALBASE}/lib/libfftw3.a ${LOCALBASE}/lib/libfftw3_threads.a" MAKEFILE= ${WRKSRC}/make/Makefile EXTRACT_AFTER_ARGS=--exclude fftw --exclude windows --exclude macosx SUB_FILES= pkg-message BINARY_ALIAS= gfortran=gfortran${GCC_DEFAULT} OPTIONS_DEFINE= NATIVE OPTIMIZED_FFLAGS DOCS EXAMPLES OPTIONS_DEFINE_amd64= SIMD OPTIONS_DEFINE_i386= SIMD NATIVE_MAKE_ARGS= PORT_SIMD_FLAGS+="-march=native" OPTIMIZED_FFLAGS_DESC= Fortran compilation optimizations SIMD_MAKE_ARGS= PORT_SIMD_FLAGS+="-msse -msse2 -mssse3" PORTDOCS= * PORTEXAMPLES= * .include .if ${PORT_OPTIONS:MOPTIMIZED_FFLAGS} FFLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations .if (${ARCH} == "i386") FFLAGS+= -mfancy-math-387 -malign-double .endif # i386 .endif # OPTIMIZED_FFLAGS post-extract: @${RM} ${BUILD_WRKSRC}/*.c @${RM} ${WRKSRC}/other/eopbend.orig # remove bundled linux libraries @${RM} ${WRKSRC}/lib/linux/* post-patch: @${REINPLACE_CMD} -i '' 's|\.\./bin/|${STAGEDIR}${PREFIX}/bin/|' ${BUILD_WRKSRC}/../bench/bench*.run post-install: @${MKDIR} ${STAGEDIR}${DATADIR} @${MKDIR} ${STAGEDIR}${DATADIR}/params cd ${WRKSRC}/params && ${INSTALL_DATA} * ${STAGEDIR}${DATADIR}/params @${MKDIR} ${STAGEDIR}${DATADIR}/test cd ${WRKSRC}/test && ${INSTALL_DATA} * ${STAGEDIR}${DATADIR}/test post-install-DOCS-on: @${MKDIR} ${STAGEDIR}${DOCSDIR} cd ${WRKSRC}/doc && ${INSTALL_DATA} 0README *.pdf ${STAGEDIR}${DOCSDIR} post-install-EXAMPLES-on: @${MKDIR} ${STAGEDIR}${EXAMPLESDIR} cd ${WRKSRC}/example && ${INSTALL_DATA} \ 0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.xyz \ ${STAGEDIR}${EXAMPLESDIR} do-test: ${RM} -r ${WRKSRC}/bin ${LN} -s ${STAGEDIR}${PREFIX}/bin ${WRKSRC}/bin cd ${WRKSRC}/test && \ for test_run in *.run; do \ ${ECHO} "Running test $${test_run} ..." && \ ./$${test_run} && \ ${ECHO} "Test $${test_run} suceeded"; \ done benchmarks: stage .for n in 1 2 3 4 5 6 7 8 9 @cd ${BUILD_WRKSRC}/../bench && ./bench${n}.run .endfor .include diff --git a/science/tinker/distinfo b/science/tinker/distinfo index a07b72d81a25..840268938a50 100644 --- a/science/tinker/distinfo +++ b/science/tinker/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1769402719 -SHA256 (TinkerTools-tinker-v26.1.1_GH0.tar.gz) = 07c2a72c27c73a39c6a2ad9030edda8e12ace3cbf1469ed4a559dcdb85c8995f -SIZE (TinkerTools-tinker-v26.1.1_GH0.tar.gz) = 34907568 +TIMESTAMP = 1769583976 +SHA256 (TinkerTools-tinker-v26.1.2_GH0.tar.gz) = 64675edba53cb99ba5e25a2ba086233afc526034d850dd47561672a2a5c4ae82 +SIZE (TinkerTools-tinker-v26.1.2_GH0.tar.gz) = 34907880