diff --git a/package/fftw/3.3.8/install.sh b/package/fftw/3.3.8/install.sh index df0242ae8d092bbf939326aa64b2252cd9a50485..70e4666814ab79df4d55afb53b2280b571be134b 100644 --- a/package/fftw/3.3.8/install.sh +++ b/package/fftw/3.3.8/install.sh @@ -1,8 +1,9 @@ #!/bin/bash set -x set -e +. ${DOWNLOAD_TOOL} -u http://www.fftw.org/fftw-3.3.8.tar.gz cd ${JARVIS_TMP} tar -xvf ${JARVIS_DOWNLOAD}/fftw-3.3.8.tar.gz cd fftw-3.3.8 -./configure --prefix=$1 MPICC=mpicc --enable-shared --enable-threads --enable-openmp --enable-mpi -make -j install \ No newline at end of file +./configure --prefix=$1 --enable-shared --enable-threads --enable-openmp --enable-mpi +make -j install diff --git a/package/singularity/3.9.9/install.sh b/package/singularity/3.9.9/install.sh new file mode 100644 index 0000000000000000000000000000000000000000..562d90ce4f08d62f4588129324be924828938708 --- /dev/null +++ b/package/singularity/3.9.9/install.sh @@ -0,0 +1,22 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u https://codeload.github.com/sylabs/singularity/tar.gz/refs/tags/v3.9.9 -f singularity-3.9.9.tar.gz +. ${DOWNLOAD_TOOL} -u https://dl.google.com/go/go1.18.1.linux-arm64.tar.gz +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/singularity-3.9.9.tar.gz +cd singularity-3.9.9 +tar -xvf ${JARVIS_DOWNLOAD}/go1.18.1.linux-arm64.tar.gz +export PATH=${JARVIS_TMP}/singularity-3.9.9/go/bin:$PATH +mkdir build_clang +sed -i '14c\hstcc=clang' mconfig +sed -i '16c\hstcxx=clang++' mconfig +sed -i '26c\tgtcc=clang' mconfig +sed -i '28c\tgtcxx=clang++' mconfig +./mconfig -b ./build_clang -p ./bin +cd ./build_clang +cp config.h ../cmd/starter/ +sed -i '111c\GOPROXY := https://goproxy.cn' Makefile +make +make install + diff --git a/templates/SPECFEM3D_GLOBE/7.0.0/data.SPECFEM3D_GLOBE.arm.cpu.config b/templates/SPECFEM3D_GLOBE/7.0.0/data.SPECFEM3D_GLOBE.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..01ecd4830680f7d7238e23e53a83f0558713b7fd --- /dev/null +++ b/templates/SPECFEM3D_GLOBE/7.0.0/data.SPECFEM3D_GLOBE.arm.cpu.config @@ -0,0 +1,42 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +SPECFEM3D_GLOBE/7.0.0 https://github.com/geodynamics/specfem3d_globe/archive/v7.0.0.tar.gz specfem3d_globe-7.0.0.tar.gz + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = SPECFEM3D_GLOBE +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/SPECFEM3D_GLOBE/7.0.0 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/specfem3d_globe-7.0.0.tar.gz +cd specfem3d_globe-7.0.0 +sed -i '23c\NPROC_XI = 8' DATA/Par_file +sed -i '24c\NPROC_ETA = 8' DATA/Par_file +./configure --enable-openmp FC=mpif90 MPIFC=mpif90 CC=mpicc MPICC=mpicc +make -j + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/SU2/7.0.4/data.SU2.arm.cpu.config b/templates/SU2/7.0.4/data.SU2.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..85f0414af74e2ade822c2067cf3169a97cd29ee8 --- /dev/null +++ b/templates/SU2/7.0.4/data.SU2.arm.cpu.config @@ -0,0 +1,44 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +SU2/7.0.4 https://github.com/su2code/SU2/archive/v7.0.4.tar.gz SU2-7.0.4.tar.gz + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = SU2 +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/SU2/7.0.4 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/SU2-7.0.4.tar.gz +cd SU2-7.0.4 +./bootstrap +mkdir build +cd build +../configure --prefix=${JARVIS_ROOT}/software/apps/bisheng2/SU2/7.0.4 CXXFLAGS="-O3 -std=c++11 -march=armv8.2-a -mtune=tsv110" --enable-mpi --with-cc=mpicc --with-cxx=mpicxx +make -j +make install + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/blast/2.13.0/data.blast.arm.cpu.config b/templates/blast/2.13.0/data.blast.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..671bb2046f06e82446e31889b919fe4cf3b2e9ec --- /dev/null +++ b/templates/blast/2.13.0/data.blast.arm.cpu.config @@ -0,0 +1,47 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +blast/2.13.0 https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/ncbi-blast-2.13.0+-src.tar.gz +LMDB/0.9.24 https://github.com/LMDB/lmdb/archive/refs/tags/LMDB_0.9.24.tar.gz + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = blast +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/blast/2.13.0 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/ncbi-blast-2.13.0+-src.tar.gz +cd ncbi-blast-2.13.0+-src +export BLASE_TOP=`pwd` +tar -xvf ${JARVIS_DOWNLOAD}/LMDB_0.9.24.tar.gz +export LMDB_PATH=$BLASE_TOP/lmdb-LMDB_0.9.24 +cd $BLASE_TOP/c++ +./configure +cd ReleaseMT/build +make all_r -j40 + + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/lammps/2021.5.27/data.lammps.arm.cpu.config b/templates/lammps/2021.5.27/data.lammps.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..fe27c6cbc2e2756d419515acbc9e1445bbf29ada --- /dev/null +++ b/templates/lammps/2021.5.27/data.lammps.arm.cpu.config @@ -0,0 +1,54 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +lammps/2021.5.27 https://download.lammps.org/tars/lammps-27May2021.tar.gz + + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 +./jarvis -install fftw/3.3.8 clang + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang +module load fftw/3.3.8 + +[APP] +app_name = lammps +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/lammps/2021.5.27 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/lammps-27May2021.tar.gz +cd lammps-27May2021/src +sed -i '10c\CCFLAGS = -g -O3 -I${JARVIS_ROOT}/software/compiler/bisheng/2.1.0/include/c++/v1 -L${JARVIS_ROOT}/software/compiler/bisheng/2.1.0/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi' MAKE/Makefile.mpi +sed -i '15c\LINKFLAGS = -g -O -L${JARVIS_ROOT}/software/compiler/bisheng/2.1.0/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi' MAKE/Makefile.mpi +sed -i '53c\FFT_INC = -DFFT_FFTW -I${JARVIS_ROOT}/software/libs/bisheng2/fftw/3.3.8/include ' MAKE/Makefile.mpi +sed -i '54c\FFT_PATH = -L${JARVIS_ROOT}/software/libs/bisheng2/fftw/3.3.8/lib' MAKE/Makefile.mpi +sed -i '55c\FFT_LIB = -lfftw3' MAKE/Makefile.mpi +make yes-KSPACE +make yes-MPIIO +make yes-MOLECULE +make yes-MANYBODY +make yes-USER-REAXC +make mpi -j + + + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/miniFE/2.2.0/data.miniFE.arm.cpu.config b/templates/miniFE/2.2.0/data.miniFE.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..c70bcc44ef0185efa7fb1a8fbdc6105d093bdc03 --- /dev/null +++ b/templates/miniFE/2.2.0/data.miniFE.arm.cpu.config @@ -0,0 +1,39 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +miniFE/2.2.0 https://github.com/Mantevo/miniFE/archive/2.2.0.tar.gz miniFE-2.2.0.tar.gz + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = miniFE +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/miniFE/2.2.0 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/miniFE-2.2.0.tar.gz +cd miniFE-2.2.0/ref/src +make -j + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/nwchem/6.8.1/data.nwchem.arm.cpu.config b/templates/nwchem/6.8.1/data.nwchem.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..d26682690403f6fa6c7714b32caaf95b809e53d4 --- /dev/null +++ b/templates/nwchem/6.8.1/data.nwchem.arm.cpu.config @@ -0,0 +1,51 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +nwchem/6.8.1 https://codeload.github.com/NWChemgit/NWChem/tar.gz/6.8.1-release nwchem-6.8.1-release.tar.gz +ga/5.6.5 https://github.com/edoapra/ga/releases/download/v5.6.5/ga-5.6.5.tar.gz + + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = nwchem +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/nwchem/6.4.0 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/nwchem-6.8.1-release.tar.gz +cd nwchem-6.8.1-release +cd src/tools +tar -zxvf ${JARVIS_DOWNLOAD}/ga-5.6.5.tar.gz +export NWCHEM_TOP=${JARVIS_TMP}/nwchem-6.8.1-release +export NWCHEM_TARGET=LINUX64 +export NWCHEM_MODULES=all +export USE_MPI=y +export USE_INTERNALBLAS=y +export NWCHEM_LONG_PATHS=Y +cd ${JARVIS_TMP}/nwchem-6.8.1-release/src +make nwchem_config +make FC=flang + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/octave/6.4.0/data.octave.arm.cpu.config b/templates/octave/6.4.0/data.octave.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..6c700a77be3cbf4b8e63e685bcc990a7f4166dac --- /dev/null +++ b/templates/octave/6.4.0/data.octave.arm.cpu.config @@ -0,0 +1,46 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +octave/6.4.0 https://mirrors.tuna.tsinghua.edu.cn/gnu/octave/octave-6.4.0.tar.gz + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 +./jarvis -install lapack/3.8.0/clang clang +./jarvis -install blas/3.10.0/clang clang + + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang +module load blas-clang/3.10.0 +module load lapack-clang/3.8.0 + +[APP] +app_name = octave +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/octave/6.4.0 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/octave-6.4.0.tar.gz +cd octave-6.4.0 +./configure --prefix=${JARVIS_ROOT}/software/apps/bisheng2/octave/6.4.0/ --disable-readline +make -j +make install + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/singularity/3.9.9/data.singularity.arm.cpu.config b/templates/singularity/3.9.9/data.singularity.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..2245740c2eb7f1ea2a5ed4f1c822aaf59d9f34b0 --- /dev/null +++ b/templates/singularity/3.9.9/data.singularity.arm.cpu.config @@ -0,0 +1,30 @@ +[SERVER] +11.11.11.11 + +[DEPENDENCY] +module purge +./jarvis -install bisheng/2.1.0 com +module use ./software/modulefiles +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = singularity +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/singularity/3.9.9 +case_dir = + +[BUILD] +./jarvis -install singularity/3.9.9 any + +[RUN] +run = +binary = +node = 1 +