From 837b9afd1de9cbb06c56fc1f0e0d7de94046f8d9 Mon Sep 17 00:00:00 2001 From: ye-jianbang Date: Thu, 19 May 2022 10:24:12 +0800 Subject: [PATCH 1/7] =?UTF-8?q?=E5=A2=9E=E5=8A=A0octopus=E3=80=81calculix?= =?UTF-8?q?=E3=80=81siesta?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- package/arpack/96/clang/install.sh | 17 ++++ package/eigen3/3.4.0/install.sh | 12 +++ package/libxc/4.3.4/install.sh | 11 +++ package/libxc/5.1.4/install.sh | 14 ++++ package/openblas/0.3.18/install.sh | 2 +- package/precice/2.3.0/install.sh | 12 +++ package/scalapack/2.1.0/install.sh | 2 +- package/spooles/2.2/clang/install.sh | 12 +++ package/yaml-cpp/0.6.2/install.sh | 13 ++++ .../2.19.0/data.calculix.arm.cpu.config | 65 ++++++++++++++++ .../.data.octopus.arm.kpgcc.cpu.config.swp | Bin 0 -> 12288 bytes .../10.3/data.octopus.arm.kpgcc.cpu.config | 67 ++++++++++++++++ .../4.0.2/data.siesta.arm.kpgcc.cpu.config | 73 ++++++++++++++++++ 13 files changed, 298 insertions(+), 2 deletions(-) create mode 100644 package/arpack/96/clang/install.sh create mode 100644 package/eigen3/3.4.0/install.sh create mode 100644 package/libxc/4.3.4/install.sh create mode 100644 package/libxc/5.1.4/install.sh create mode 100644 package/precice/2.3.0/install.sh create mode 100644 package/spooles/2.2/clang/install.sh create mode 100644 package/yaml-cpp/0.6.2/install.sh create mode 100644 templates/calculix/2.19.0/data.calculix.arm.cpu.config create mode 100644 templates/octopus/10.3/.data.octopus.arm.kpgcc.cpu.config.swp create mode 100644 templates/octopus/10.3/data.octopus.arm.kpgcc.cpu.config create mode 100644 templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config diff --git a/package/arpack/96/clang/install.sh b/package/arpack/96/clang/install.sh new file mode 100644 index 0000000..81ead4d --- /dev/null +++ b/package/arpack/96/clang/install.sh @@ -0,0 +1,17 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u https://www.caam.rice.edu/software/ARPACK/SRC/arpack96.tar.gz +. ${DOWNLOAD_TOOL} -u https://www.caam.rice.edu/software/ARPACK/SRC/patch.tar.gz +cd ${JARVIS_TMP} +tar zxvf ${JARVIS_DOWNLOAD}/arpack96.tar.gz +tar zxvf ${JARVIS_DOWNLOAD}/patch.tar.gz +cd ARPACK +sed -i "28c\home = '${JARVIS_TMP}'/ARPACK" ARmake.inc +sed -i '35c\PLAT = INTEL' ARmake.inc +sed -i '104c\FC = flang' ARmake.inc +sed -i '105c\#FFLAGS = -0 -cg89' ARmake.inc +sed -i '115c\MAKE = /usr/bin/make' ARmake.inc +sed -i '120c\SHELL = /usr/bin/sh' ARmake.inc +sed -i '24c\* EXTERNAL ETIME' UTIL/second.f +make lib diff --git a/package/eigen3/3.4.0/install.sh b/package/eigen3/3.4.0/install.sh new file mode 100644 index 0000000..c6b3cce --- /dev/null +++ b/package/eigen3/3.4.0/install.sh @@ -0,0 +1,12 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u http://gitlab.com/libeigen/eigen/-/archive/3.4.0/eigen-3.4.0.tar.gz +cd ${JARVIS_TMP} +tar xvf ${JARVIS_DOWNLOAD}/eigen-3.4.0.tar.gz +cd eigen-3.4.0 +mkdir build +cd build +cmake .. -DCMAKE_INSTALL_PREFIX=$1 +make -j +make install diff --git a/package/libxc/4.3.4/install.sh b/package/libxc/4.3.4/install.sh new file mode 100644 index 0000000..84078c2 --- /dev/null +++ b/package/libxc/4.3.4/install.sh @@ -0,0 +1,11 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u http://forge.abinit.org/fallbacks/libxc-4.3.4.tar.gz +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/libxc-4.3.4.tar.gz +cd libxc-4.3.4 +./configure --prefix=$1 +make -j +make install + diff --git a/package/libxc/5.1.4/install.sh b/package/libxc/5.1.4/install.sh new file mode 100644 index 0000000..bc3fb33 --- /dev/null +++ b/package/libxc/5.1.4/install.sh @@ -0,0 +1,14 @@ +#!/bin/bash +set -x +set -e +cd ${JARVIS_TMP} +. ${DOWNLOAD_TOOL} -u http://www.tddft.org/programs/libxc/down.php?file=5.1.4/libxc-5.1.4.tar.gz -f libxc-5.1.4.tar.gz +tar -xvf ${JARVIS_DOWNLOAD}/libxc-5.1.4.tar.gz +cd libxc-5.1.4 +sed -i 21305s/lt_lt_prog_compiler_wl/lt_prog_compiler_wl/g configure +sed -i 21547s/lt_lt_prog_compiler_wl_FC/lt_prog_compiler_wl_FC/g configure +./configure --prefix=$1 CFLAGS='-fPIC' FCFLAGS='-fPIC' --enable-shared=yes --enable-static=yes +sed -i "705c lt_prog_compiler_wl_FC=\'-Wl,\'" config.status +make -j +make install + diff --git a/package/openblas/0.3.18/install.sh b/package/openblas/0.3.18/install.sh index edc231a..2253a9c 100644 --- a/package/openblas/0.3.18/install.sh +++ b/package/openblas/0.3.18/install.sh @@ -5,5 +5,5 @@ set -e cd ${JARVIS_TMP} tar -xzvf ${JARVIS_DOWNLOAD}/OpenBLAS-0.3.18.tar.gz cd OpenBLAS-0.3.18 -make -j +make make PREFIX=$1 install diff --git a/package/precice/2.3.0/install.sh b/package/precice/2.3.0/install.sh new file mode 100644 index 0000000..e0fe05e --- /dev/null +++ b/package/precice/2.3.0/install.sh @@ -0,0 +1,12 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u https://github.com/precice/precice/archive/v2.3.0.tar.gz -f precice-2.3.0.tar.gz +cd ${JARVIS_TMP} +tar xvf ${JARVIS_DOWNLOAD}/precice-2.3.0.tar.gz +cd precice-2.3.0 +mkdir build +cd build +cmake .. -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=$1 -DPRECICE_PETScMapping=OFF -DPRECICE_PythonActions=OFF +make -j +make install diff --git a/package/scalapack/2.1.0/install.sh b/package/scalapack/2.1.0/install.sh index bee6239..4bd2e3a 100644 --- a/package/scalapack/2.1.0/install.sh +++ b/package/scalapack/2.1.0/install.sh @@ -6,6 +6,6 @@ cd ${JARVIS_TMP} tar -xvf ${JARVIS_DOWNLOAD}/scalapack-2.1.0.tgz cd scalapack-2.1.0 cp SLmake.inc.example SLmake.inc -make -j +make mkdir $1/lib cp *.a $1/lib diff --git a/package/spooles/2.2/clang/install.sh b/package/spooles/2.2/clang/install.sh new file mode 100644 index 0000000..ce4e5c4 --- /dev/null +++ b/package/spooles/2.2/clang/install.sh @@ -0,0 +1,12 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u http://www.netlib.org/linalg/spooles/spooles.2.2.tgz +cd ${JARVIS_TMP} +mkdir SPOOLES.2.2 +tar zxvf ${JARVIS_DOWNLOAD}/spooles.2.2.tgz -C SPOOLES.2.2 +cd SPOOLES.2.2 +sed -i '14c\ CC = clang' Make.inc +sed -i '15c\#CC = /usr/lang-4.0/bin/cc' Make.inc +sed -i '9c\ draw.c \' Tree/src/makeGlobalLib +make lib diff --git a/package/yaml-cpp/0.6.2/install.sh b/package/yaml-cpp/0.6.2/install.sh new file mode 100644 index 0000000..8f1c182 --- /dev/null +++ b/package/yaml-cpp/0.6.2/install.sh @@ -0,0 +1,13 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u https://github.com/jbeder/yaml-cpp/archive/yaml-cpp-0.6.2.zip +cd ${JARVIS_TMP} +unzip ${JARVIS_DOWNLOAD}/yaml-cpp-0.6.2.zip +cd yaml-cpp-yaml-cpp-0.6.2 +mkdir build +cd build +cmake -DCMAKE_INSTALL_PREFIX=$1 -DBUILD_SHARED_LIBS=ON .. +make -j +make install + diff --git a/templates/calculix/2.19.0/data.calculix.arm.cpu.config b/templates/calculix/2.19.0/data.calculix.arm.cpu.config new file mode 100644 index 0000000..ba40f2e --- /dev/null +++ b/templates/calculix/2.19.0/data.calculix.arm.cpu.config @@ -0,0 +1,65 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +calculix/2.19.0 https://github.com/precice/calculix-adapter/archive/refs/heads/master.tar.gz calculix-adapter-master.tar.gz +ccx/2.19 http://www.dhondt.de/ccx_2.19.src.tar.bz2 + +[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 spooles/2.2/clang clang +./jarvis -install arpack/96/clang clang +./jarvis -install yaml-cpp/0.6.2 clang +./jarvis -install eigen3/3.4.0 clang +./jarvis -install precice/2.3.0 clang +cd ${JARVIS_TMP} +tar xvf ${JARVIS_DOWNLOAD}/ccx_2.19.src.tar.bz2 +tar xvf ${JARVIS_DOWNLOAD}/calculix-adapter-master.tar.gz + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=clang CXX=clang++ FC=flang +module load yaml-cpp/0.6.2 +module load precice/2.3.0 +export Eigen3_ROOT=${JARVIS_ROOT}/software/libs/bisheng2/eigen3/3.4.0 +export PKG_CONFIG_PATH=${JARVIS_ROOT}/software/libs/bisheng2/precice/2.3.0/lib64/pkgconfig:$PKG_CONFIG_PATH +export CPATH=${JARVIS_ROOT}/software/libs/bisheng2/precice/2.3.0/include:$CPATH + +[APP] +app_name = calculix +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng2/calculix/2.19.0 +case_dir = + +[BUILD] +cd ${JARVIS_TMP}/calculix-adapter-master +sed -i "6c\CCX = ${JARVIS_TMP}/CalculiX/ccx_2.19/src" Makefile +sed -i "10c\SPOOLES_INCLUDE = -I/${JARVIS_TMP}/SPOOLES.2.2" Makefile +sed -i "12c\SPOOLES_LIBS = ${JARVIS_TMP}/SPOOLES.2.2/spooles.a" Makefile +sed -i "15c\ARPACK_INCLUDE = -I/${JARVIS_TMP}/ARPACK" Makefile +sed -i "17c\ARPACK_LIBS = ${JARVIS_TMP}/ARPACK/libarpack_INTEL.a" Makefile +sed -i "20c\YAML_INCLUDE = -I/${JARVIS_TMP}/yaml-cpp-yaml-cpp-0.6.2/include" Makefile +sed -i "22c\YAML_LIBS = -L/${JARVIS_TMP}/yaml-cpp-yaml-cpp-0.6.2/build -lyaml-cpp" Makefile +sed -i '55c\CFLAGS = -Wall -O3 -fopenmp $(INCLUDES) -DARCH="Linux" -DSPOOLES -DARPACK -DMATRIXSTORAGE' Makefile +sed -i '60c\CC = clang' Makefile +sed -i '62c\CC = clang' Makefile +sed -i '67c\FC = flang' Makefile + + +make clean +make -j + +[RUN] +run = +binary = +node = 1 + diff --git a/templates/octopus/10.3/.data.octopus.arm.kpgcc.cpu.config.swp b/templates/octopus/10.3/.data.octopus.arm.kpgcc.cpu.config.swp new file mode 100644 index 0000000000000000000000000000000000000000..cce38adb92266a38f62f8ee7af8bf9b178010742 GIT binary patch literal 12288 zcmeI2O>7%Q6vrn$Kr1L9ka`{hC5N(KaT3``7D{Y~1f@yjG-;6&lJR=&-FUycyH4Do zv=SFiTq<$l(tGcSD@RVy!U=%{7Y@)L%$xbYc@sr> zb#-I$D$UCp!Rr-5Zhm~H{%PUC*gfYG(M`iWFs+*wb6dQ7*sENcmb8MTs#C)(;`ZCw z36*^>Xoo)24ds@x3m0{GQA}SCI<9L3N@O^`%_1XIJU#OKPN-+E4C*T5DEwdgaSeV zp@2|8C?FIN3S$dTcZ#pD0~>EHib30GGiz@XJNa1AYKsg8SeuH~@990Az3p{PiLszk!F~0r(bt1HJ}dfX~4$*ajbh z4Nw6Z7z2-AAmp7_>+=Qny?d+@eK-k~+NCs_V;JeC-Zv8`N^ch}m}hAnlUSXi&+b z6O*dSHs?zdGz@g5&O%F9TDDhbwme@@vsU^h$If;QmcUu_~k%{JE-W~-I$@?v$=R`Sz{qgbxcWC0J+Fr{QA zu4U}Nib|3n7)`5NeDkCCXR8~FYunY8m1~De=ryB#%%d>h50y5mAPWPfl9ZO_muBBv zD^5r&IVw3U(9I$$Cin94q{Pq=bzGwug?pN&PEb03c56C8mlo&NisRCC`)w)kS!51f zobEZkWuu;xFHkASIayO|t3ETu-%;&JrKMr}8a>o@;2QH#$#&>Cl-jooiI$zT2iIDr3wKt(Cp$*hcLsczm`77I8D9hKaaQ-T zCT;gSLCZ)VI-!x3GTvho`4*B|WqAXF$jUAY_N)+hdwk(%MWM*alPoglafnGq6gtEt zlL05YN%N5RW}}l8&_$@3Dxqcsv5;_J!|OXvbvk~J%U;k@8s5Gu`= Date: Thu, 19 May 2022 02:27:52 +0000 Subject: [PATCH 2/7] =?UTF-8?q?=E5=88=A0=E9=99=A4=E6=96=87=E4=BB=B6=20temp?= =?UTF-8?q?lates/octopus/10.3/.data.octopus.arm.kpgcc.cpu.config.swp?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .../10.3/.data.octopus.arm.kpgcc.cpu.config.swp | Bin 12288 -> 0 bytes 1 file changed, 0 insertions(+), 0 deletions(-) delete mode 100644 templates/octopus/10.3/.data.octopus.arm.kpgcc.cpu.config.swp diff --git a/templates/octopus/10.3/.data.octopus.arm.kpgcc.cpu.config.swp b/templates/octopus/10.3/.data.octopus.arm.kpgcc.cpu.config.swp deleted file mode 100644 index cce38adb92266a38f62f8ee7af8bf9b178010742..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 12288 zcmeI2O>7%Q6vrn$Kr1L9ka`{hC5N(KaT3``7D{Y~1f@yjG-;6&lJR=&-FUycyH4Do zv=SFiTq<$l(tGcSD@RVy!U=%{7Y@)L%$xbYc@sr> zb#-I$D$UCp!Rr-5Zhm~H{%PUC*gfYG(M`iWFs+*wb6dQ7*sENcmb8MTs#C)(;`ZCw z36*^>Xoo)24ds@x3m0{GQA}SCI<9L3N@O^`%_1XIJU#OKPN-+E4C*T5DEwdgaSeV zp@2|8C?FIN3S$dTcZ#pD0~>EHib30GGiz@XJNa1AYKsg8SeuH~@990Az3p{PiLszk!F~0r(bt1HJ}dfX~4$*ajbh z4Nw6Z7z2-AAmp7_>+=Qny?d+@eK-k~+NCs_V;JeC-Zv8`N^ch}m}hAnlUSXi&+b z6O*dSHs?zdGz@g5&O%F9TDDhbwme@@vsU^h$If;QmcUu_~k%{JE-W~-I$@?v$=R`Sz{qgbxcWC0J+Fr{QA zu4U}Nib|3n7)`5NeDkCCXR8~FYunY8m1~De=ryB#%%d>h50y5mAPWPfl9ZO_muBBv zD^5r&IVw3U(9I$$Cin94q{Pq=bzGwug?pN&PEb03c56C8mlo&NisRCC`)w)kS!51f zobEZkWuu;xFHkASIayO|t3ETu-%;&JrKMr}8a>o@;2QH#$#&>Cl-jooiI$zT2iIDr3wKt(Cp$*hcLsczm`77I8D9hKaaQ-T zCT;gSLCZ)VI-!x3GTvho`4*B|WqAXF$jUAY_N)+hdwk(%MWM*alPoglafnGq6gtEt zlL05YN%N5RW}}l8&_$@3Dxqcsv5;_J!|OXvbvk~J%U;k@8s5Gu`= Date: Thu, 19 May 2022 02:28:08 +0000 Subject: [PATCH 3/7] =?UTF-8?q?=E5=88=A0=E9=99=A4=E6=96=87=E4=BB=B6=20pack?= =?UTF-8?q?age/openblas/0.3.18/install.sh?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- package/openblas/0.3.18/install.sh | 9 --------- 1 file changed, 9 deletions(-) delete mode 100644 package/openblas/0.3.18/install.sh diff --git a/package/openblas/0.3.18/install.sh b/package/openblas/0.3.18/install.sh deleted file mode 100644 index 2253a9c..0000000 --- a/package/openblas/0.3.18/install.sh +++ /dev/null @@ -1,9 +0,0 @@ -#!/bin/bash -set -x -set -e -. ${DOWNLOAD_TOOL} -u https://github.com/xianyi/OpenBLAS/releases/download/v0.3.18/OpenBLAS-0.3.18.tar.gz -cd ${JARVIS_TMP} -tar -xzvf ${JARVIS_DOWNLOAD}/OpenBLAS-0.3.18.tar.gz -cd OpenBLAS-0.3.18 -make -make PREFIX=$1 install -- Gitee From f8b42d6c9ffcd75d399d2ae44df947225819c319 Mon Sep 17 00:00:00 2001 From: ye-jianbang Date: Thu, 19 May 2022 10:50:15 +0800 Subject: [PATCH 4/7] add openblas_install.sh --- package/openblas/0.3.6/install.sh | 9 +++++++++ 1 file changed, 9 insertions(+) create mode 100644 package/openblas/0.3.6/install.sh diff --git a/package/openblas/0.3.6/install.sh b/package/openblas/0.3.6/install.sh new file mode 100644 index 0000000..951038d --- /dev/null +++ b/package/openblas/0.3.6/install.sh @@ -0,0 +1,9 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u https://github.com/xianyi/OpenBLAS/archive/refs/tags/v0.3.6.tar.gz -f OpenBLAS-0.3.6.tar.gz +cd ${JARVIS_TMP} +tar -xzvf ${JARVIS_DOWNLOAD}/OpenBLAS-0.3.6.tar.gz +cd OpenBLAS-0.3.6 +make -j +make PREFIX=$1 install -- Gitee From e8ea3db013e89932f002a558c676a305b690fa4b Mon Sep 17 00:00:00 2001 From: ye-jianbang Date: Thu, 19 May 2022 10:59:02 +0800 Subject: [PATCH 5/7] add openblas_install.sh --- package/openblas/0.3.18/install.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/package/openblas/0.3.18/install.sh b/package/openblas/0.3.18/install.sh index 2253a9c..f90164b 100644 --- a/package/openblas/0.3.18/install.sh +++ b/package/openblas/0.3.18/install.sh @@ -5,5 +5,5 @@ set -e cd ${JARVIS_TMP} tar -xzvf ${JARVIS_DOWNLOAD}/OpenBLAS-0.3.18.tar.gz cd OpenBLAS-0.3.18 -make +make -j make PREFIX=$1 install -- Gitee From 7c98cf1c97b3ee9b4c071853db0918e80cbefa27 Mon Sep 17 00:00:00 2001 From: ye-jianbang Date: Thu, 19 May 2022 11:04:47 +0800 Subject: [PATCH 6/7] add openblas_install.sh --- package/openblas/0.3.18/install.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/package/openblas/0.3.18/install.sh b/package/openblas/0.3.18/install.sh index f90164b..54c9190 100644 --- a/package/openblas/0.3.18/install.sh +++ b/package/openblas/0.3.18/install.sh @@ -5,5 +5,5 @@ set -e cd ${JARVIS_TMP} tar -xzvf ${JARVIS_DOWNLOAD}/OpenBLAS-0.3.18.tar.gz cd OpenBLAS-0.3.18 -make -j +make -j make PREFIX=$1 install -- Gitee From acd3c60a9c39aab352d55d7208603cd3e3403cbe Mon Sep 17 00:00:00 2001 From: ye-jianbang Date: Thu, 19 May 2022 11:09:51 +0800 Subject: [PATCH 7/7] add openblas_install.sh --- package/openblas/0.3.18/install.sh | 9 +++++++++ 1 file changed, 9 insertions(+) create mode 100644 package/openblas/0.3.18/install.sh diff --git a/package/openblas/0.3.18/install.sh b/package/openblas/0.3.18/install.sh new file mode 100644 index 0000000..1f5d0c4 --- /dev/null +++ b/package/openblas/0.3.18/install.sh @@ -0,0 +1,9 @@ +#!/bin/bash +set -x +set -e +. ${DOWNLOAD_TOOL} -u https://github.com/xianyi/OpenBLAS/archive/refs/tags/v0.3.18.tar.gz -f OpenBLAS-0.3.18.tar.gz +cd ${JARVIS_TMP} +tar -xzvf ${JARVIS_DOWNLOAD}/OpenBLAS-0.3.18.tar.gz +cd OpenBLAS-0.3.18 +make -j +make PREFIX=$1 install -- Gitee