python and scalapack bits

This commit is contained in:
edoapra 2017-11-21 15:52:58 -08:00
parent bfcf5217b5
commit 23dcf079d4

View file

@ -18,15 +18,24 @@ addons:
- libtool
- autoconf
- perl
- libscalapack-openmpi1
- libscalapack-mpi-dev
matrix:
env: == default ==
include:
- dist: xenial
env: == default ==
NWCHEM_TOP=$TRAVIS_BUILD_DIR
NWCHEM_TARGET=LINUX64
NWCHEM_MODULES="nwdft driver stepper mp2_grad"
NWCHEM_MODULES="nwdft driver stepper mp2_grad python"
USE_MPI=y
BLASOPT="-lopenblas -lpthread -lrt"
USE_64TO32=y
BLASOPT="-lopenblas -lpthread -lrt"
BLAS_SIZE=4
SCALAPACK="-lopenblas -lpthread -lrt"
SCALAPACK_SIZE=4
USE_PYTHONCONFIG=y
PYTHONVERSION=2.7
PYTHONHOME=/usr
before_script:
cd $NWCHEM_TOP/src &&
@ -38,8 +47,10 @@ script:
- tail -100 $NWCHEM_TOP/src/6log
- tail -100 $NWCHEM_TOP/src/tools/build/config.log
- tail -200 $NWCHEM_TOP/src/make.log
- grep SCALAPAC $NWCHEM_TOP/src/tools/buid/config.log
after_failure:
- cat $NWCHEM_TOP/src/6log
- cat $NWCHEM_TOP/src/tools/build/config.log
- cat $NWCHEM_TOP/src/tools/build/comex/config.log
- cat $NWCHEM_TOP/src/make.log