mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-28 22:25:48 -04:00
adding mp2 ccsd prop modules. created build_scalapack.sh script
This commit is contained in:
parent
8e37317aa2
commit
e78af986b7
2 changed files with 12 additions and 2 deletions
|
|
@ -9,7 +9,7 @@ compiler:
|
|||
env: == default ==
|
||||
NWCHEM_TOP=$TRAVIS_BUILD_DIR/../nwchem-6.8
|
||||
NWCHEM_TARGET=LINUX64
|
||||
NWCHEM_MODULES="nwdft driver stepper"
|
||||
NWCHEM_MODULES="nwdft driver stepper property hessian vib mp2_grad ccsd"
|
||||
USE_MPI=y
|
||||
USE_64TO32=y
|
||||
BLASOPT="-L$TRAVIS_BUILD_DIR/lib -lopenblas -lpthread -lrt"
|
||||
|
|
@ -28,7 +28,7 @@ before_script:
|
|||
- ls -lrt $NWCHEM_TOP
|
||||
- cd $NWCHEM_TOP/src && make nwchem_config && make 64_to_32 >& 6log &
|
||||
- ./travis/build_openblas.sh
|
||||
- cd $TRAVIS_BUILD_DIR ;git clone https://github.com/scibuilder/scalapack.git && mkdir -p scalapack/build && cd scalapack/build && cmake ../ -DCMAKE_BUILD_TYPE=RelWithDebInfo -DTEST_SCALAPACK=OFF -DBUILD_TESTING=OFF -DBUILD_SHARED_LIBS=ON -DBLAS_blas_LIBRARY="-L$TRAVIS_BUILD_DIR/lib -lopenblas" -DLAPACK_lapack_LIBRARY="-L$TRAVIS_BUILD_DIR/lib -lopenblas" -DCMAKE_INSTALL_PREFIX=$TRAVIS_BUILD_DIR && make V=0 -j3 >& scalap.log && make install && tail -20 scalap.log &&ls -lrt $TRAVIS_BUILD_DIR/lib
|
||||
- ./travis/build_scalapack.sh
|
||||
- sleep 1
|
||||
script:
|
||||
- cd $NWCHEM_TOP/src && make FDEBUG="-O0 -g" FOPTIMIZE="-O2 -g" -j3 >& make.log
|
||||
|
|
|
|||
10
travis/build_scalapack.sh
Executable file
10
travis/build_scalapack.sh
Executable file
|
|
@ -0,0 +1,10 @@
|
|||
#!/bin/bash
|
||||
cd $TRAVIS_BUILD_DIR
|
||||
git clone https://github.com/scibuilder/scalapack.git
|
||||
mkdir -p scalapack/build
|
||||
cd scalapack/build
|
||||
cmake ../ -DCMAKE_BUILD_TYPE=RelWithDebInfo -DTEST_SCALAPACK=OFF -DBUILD_TESTING=OFF -DBUILD_SHARED_LIBS=ON -DBLAS_blas_LIBRARY="-L$TRAVIS_BUILD_DIR/lib -lopenblas" -DLAPACK_lapack_LIBRARY="-L$TRAVIS_BUILD_DIR/lib -lopenblas" -DCMAKE_INSTALL_PREFIX=$TRAVIS_BUILD_DIR
|
||||
make V=0 -j3 >& scalap.log
|
||||
make install
|
||||
tail -20 scalap.log
|
||||
ls -lrt $TRAVIS_BUILD_DIR/lib
|
||||
Loading…
Add table
Add a link
Reference in a new issue