diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2019-01-17 09:40:24 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2019-01-17 09:40:24 +0000 |
| commit | 26eefa7fb510442e4177f2bac7af396c17b66a15 (patch) | |
| tree | 4efae938fadcdb27d3081b91eacba77e5af85639 /science/erkale | |
| parent | 1843dc74819e1950b9b3f11a8b72bb2fda25e41f (diff) | |
| download | ports-26eefa7fb510442e4177f2bac7af396c17b66a15.tar.gz ports-26eefa7fb510442e4177f2bac7af396c17b66a15.zip | |
science/erkale: Update 0927d8c -> 0c285c1
Port changes:
* Add the standard location for erkale's pseudopotentials.
* Add pkg-message suggesting to install erkale-pseudopotentials
Notes
Notes:
svn path=/head/; revision=490535
Diffstat (limited to 'science/erkale')
| -rw-r--r-- | science/erkale/Makefile | 8 | ||||
| -rw-r--r-- | science/erkale/distinfo | 6 | ||||
| -rw-r--r-- | science/erkale/pkg-message | 7 |
3 files changed, 14 insertions, 7 deletions
diff --git a/science/erkale/Makefile b/science/erkale/Makefile index c0113817c830..ac0d35f18a18 100644 --- a/science/erkale/Makefile +++ b/science/erkale/Makefile @@ -1,8 +1,7 @@ # $FreeBSD$ PORTNAME= erkale -DISTVERSION= g20181121 -PORTREVISION= 4 +DISTVERSION= g20190114 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -29,12 +28,13 @@ serial_PKGNAMESUFFIX= -serial USES= cmake:noninja fortran pkgconfig USE_GITHUB= yes GH_ACCOUNT= susilehtola -GH_TAGNAME= 0927d8c +GH_TAGNAME= 0c285c1 USE_LDCONFIG= yes TEST_TARGET= test CMAKE_ON= BUILD_SHARED_LIBS +CMAKE_ARGS= -DERKALE_SYSTEM_LIBRARY=${DATADIR}/basis PLIST_SUB= SUFFIX="${SUFFIX}" @@ -58,7 +58,7 @@ NETLIB_LIB_DEPENDS= libcblas.so:math/cblas OPENBLAS_USES= blaslapack:openblas OPENBLAS_CMAKE_ON= -DLAPACK_LIBRARIES:STRING=-lopenblas -DBLAS_LIBRARIES:STRING=-lopenblasp -xOPENBLAS_BROKEN= hits the number of threads limit: https://github.com/xianyi/OpenBLAS/issues/1882 +OPENBLAS_BROKEN= hits the number of threads limit: https://github.com/xianyi/OpenBLAS/issues/1882 # use clang from ports because cmake can't find OpenMP with base clang, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=223678 # have the same compiler for both serial and parallel flavors so that performance numbers can be compared diff --git a/science/erkale/distinfo b/science/erkale/distinfo index ff805a1a0b4e..bf3630ed2c18 100644 --- a/science/erkale/distinfo +++ b/science/erkale/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1542835027 -SHA256 (susilehtola-erkale-g20181121-0927d8c_GH0.tar.gz) = d5b76b05e8b3cbb2abe688e5f493abc61102cc41daa5d6ac65563384b6c4c6c0 -SIZE (susilehtola-erkale-g20181121-0927d8c_GH0.tar.gz) = 109987868 +TIMESTAMP = 1547713662 +SHA256 (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = ac8703a7f56caf06a887dfb082b7dda896637f52279305e0ea3a606733af74f3 +SIZE (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = 111334148 diff --git a/science/erkale/pkg-message b/science/erkale/pkg-message new file mode 100644 index 000000000000..7a493549e4c4 --- /dev/null +++ b/science/erkale/pkg-message @@ -0,0 +1,7 @@ +====================================================================== +You installed Erkale: a quantum chemistry program used to solve the +electronic structure of atoms. + +Most likely you also need to install erkale-pseudopotentials, a set of +pseudopotential files needed for almost every Erkale operation. +====================================================================== |