diff options
Diffstat (limited to 'science/nwchem/Makefile')
| -rw-r--r-- | science/nwchem/Makefile | 16 |
1 files changed, 10 insertions, 6 deletions
diff --git a/science/nwchem/Makefile b/science/nwchem/Makefile index 1d58b0dd7435..bcf73b0c428a 100644 --- a/science/nwchem/Makefile +++ b/science/nwchem/Makefile @@ -1,8 +1,7 @@ PORTNAME= nwchem #DISTVERSIONPREFIX= v -DISTVERSION= 7.2.3 -DISTVERSIONSUFFIX= -release.revision-d690e065-src.2024-08-27 -PORTREVISION= 2 +DISTVERSION= 7.3.0 +DISTVERSIONSUFFIX= -release.revision-e60d3d90-src.2025-10-24 CATEGORIES= science MASTER_SITES= https://github.com/nwchemgit/nwchem/releases/download/v${DISTVERSION}-release/ \ https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3/:dft3 \ @@ -15,7 +14,8 @@ EXTRACT_ONLY= ${DISTNAME}.tar.gz MAINTAINER= yuri@FreeBSD.org COMMENT= High-performance computational chemistry software -WWW= https://nwchemgit.github.io/ +WWW= https://nwchemgit.github.io/ \ + https://github.com/nwchemgit/nwchem LICENSE= ECL20 LICENSE_NAME= Educational Community License (ECL) 2.0 @@ -27,7 +27,8 @@ BROKEN_aarch64= fails to build: gfortran10: error: unrecognized command-line opt BUILD_DEPENDS= bash:shells/bash LIB_DEPENDS= libblas.so:math/blas \ libga.so:devel/ga \ - libhwloc.so:devel/hwloc2 + libhwloc.so:devel/hwloc2 \ + libscalapack.so:math/scalapack RUN_DEPENDS= nwchem-data>0:science/nwchem-data TEST_DEPENDS= bash:shells/bash @@ -53,7 +54,10 @@ BINARY_ALIAS+= make=${GMAKE} # only for LIBXC PLIST_FILES= bin/nwchem etc/nwchemrc -LIBXC_VERSION= 6.1.0 # from src/libext/libxc/build_libxc.sh +LIBXC_VERSION= 7.0.0 # from src/libext/libxc/build_libxc.sh + +MAKE_ENV+= SCALAPACK_LIB=${PREFIX}/lib/libscalapack.so \ + SCALAPACK_SIZE=8 OPTIONS_DEFINE= LIBXC PYTHON # more potential optional dependencies are listed in src/libext/GNUmakefile OPTIONS_DEFAULT= LIBXC PYTHON BLAS_SIZE_4 MPICH # the MPI default should be the same as for the MPI option in math/scalapack and devel/ga |