diff --git a/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config b/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config index 857a08ba16795dbfb71a3aa3a349165852998e6b..66b56fcaeb818fccd613064c78b638258d936be4 100755 --- a/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config +++ b/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config @@ -6,6 +6,7 @@ QuantumPackage/qp2/2.2.2 [DEPENDENCY] set -e +yum install hdf5-devel libatomic -y module purge ./jarvis -install hpckit/25.0.0 any module use ./software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles @@ -18,8 +19,8 @@ export CC=mpicc CXX=mpicxx FC=mpifort F77=mpif77 F90=mpif90 ./jarvis -install python3/3.9.9 bisheng+mpi module use ./software/moduledeps/bisheng4.2.0-hmpi25.0.0 module load python3/3.9.9 -./jarvis -install hdf5/1.12.1/clang bisheng+mpi -module load hdf5-clang/1.12.1 +#./jarvis -install hdf5/1.12.1/clang bisheng+mpi +#module load hdf5-clang/1.12.1 mkdir -p ${JARVIS_ROOT}/software/apps/qp2 git clone https://github.com/QuantumPackage/qp2.git -b v2.2.2 ${JARVIS_ROOT}/software/apps/qp2 @@ -37,7 +38,7 @@ module unload bisheng/kml25.0.0/kvml/serial export CC=mpicc CXX=mpicxx FC=mpifort F77=mpif77 F90=mpif90 module use ./software/moduledeps/bisheng4.2.0-hmpi25.0.0 module load python3/3.9.9 -module load hdf5-clang/1.12.1 +#module load hdf5-clang/1.12.1 [APP] app_name = qp2