diff --git a/templates/octave/6.4.0/data.octave.arm.cpu.config b/templates/octave/6.4.0/data.octave.arm.cpu.config index 5fbf0cc2d78733cc4f6f3b8e16dcc30906dd48f0..2517916666452223c2874af31ab2057c2bba3433 100644 --- a/templates/octave/6.4.0/data.octave.arm.cpu.config +++ b/templates/octave/6.4.0/data.octave.arm.cpu.config @@ -11,16 +11,25 @@ module purge ./jarvis -install hpckit/${HPCKIT_VERSION} any module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load gcc/compiler12.3.1/gccmodule +./jarvis -install lapack/3.8.0 gcc +./jarvis -install blas/3.10.0 gcc +module use ./software/moduledeps/gcc12.3.1 +module load blas/3.10.0 +module load lapack/3.8.0 + [ENV] module purge module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load gcc/compiler12.3.1/gccmodule +module use ./software/moduledeps/gcc12.3.1 +module load blas/3.10.0 +module load lapack/3.8.0 [APP] app_name = octave build_dir = ${JARVIS_ROOT} -binary_dir = ./software/apps/bisheng/octave/6.4.0 +binary_dir = ./software/apps/gcc12.3.1/octave/6.4.0/bin case_dir = [BUILD] @@ -28,12 +37,12 @@ cd ${JARVIS_TMP} rm -rf octave-6.4.0 tar -xvf ${JARVIS_DOWNLOAD}/octave-6.4.0.tar.gz cd octave-6.4.0 -./configure --prefix=${JARVIS_ROOT}/software/apps/bisheng/octave/6.4.0/ --disable-readline -make -j +./configure --prefix=${JARVIS_ROOT}/software/apps/gcc12.3.1/octave/6.4.0/ --disable-readline --with-blas=$BLAS_PATH/lib/libblas.so --with-lapack=$LAPACK_PATH/lib/liblapack.so LDFLAGS="-L$BLAS_PATH/lib -lblas -L$LAPACK_PATH/lib -llapack" +make -j $(nproc) make install [RUN] -run = -binary = +run = ${JARVIS_ROOT}/software/apps/gcc12.3.1/octave/6.4.0/bin/octave --version +binary = octave nodes = 1 diff --git a/templates/psi4/1.3.2/data.psi4-container.arm.cpu.config b/templates/psi4/1.3.2/data.psi4-container.arm.cpu.config index d11505a9b0806ff61e78b51d4db2ec357a6db714..8c6af714a5032323a942c53f6bfd9d8c4f3445ce 100644 --- a/templates/psi4/1.3.2/data.psi4-container.arm.cpu.config +++ b/templates/psi4/1.3.2/data.psi4-container.arm.cpu.config @@ -6,6 +6,7 @@ psi4/1.3.2 https://github.com/psi4/psi4/archive/v1.3.2.tar.gz [DEPENDENCY] module purge +./jarvis -install hpckit/${HPCKIT_VERSION} any module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule module use ./software/moduledeps/bisheng${BISHENG_VERSION}