From 975d2dccd5bb4f5bd8620cb49e67f62ab6c93ba1 Mon Sep 17 00:00:00 2001 From: Ravindra Shinde Date: Fri, 13 Sep 2024 10:13:12 +0200 Subject: [PATCH] Docker Publish on commit enabled; readme updated --- README.md | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/README.md b/README.md index 6ca9b4ec..39f28727 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ ![Logo](https://github.com/filippi-claudia/champ/blob/main//docs/logo_small.jpg?raw=true) -[![GitHub-hosted Intel OneAPI build](https://github.com/filippi-claudia/champ/actions/workflows/github_hosted_build_champ.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/github_hosted_build_champ.yml) [![DEBUG build and testing](https://github.com/filippi-claudia/champ/actions/workflows/build_champ_debug.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/build_champ_debug.yml) [![Unit Tests](https://github.com/filippi-claudia/champ/actions/workflows/champ_unit_test.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/champ_unit_test.yml) [![TREXIO python interface](https://github.com/filippi-claudia/champ/actions/workflows/test_python.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/test_python.yml) +[![CHAMP release build with Intel](https://github.com/filippi-claudia/champ/actions/workflows/build_champ_intel.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/build_champ_intel.yml) [![CHAMP debug build with Intel and GNU](https://github.com/filippi-claudia/champ/actions/workflows/debug_champ_intel_and_gnu.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/debug_champ_intel_and_gnu.yml) [![CHAMP with QMCkl and TREXIO build with Intel](https://github.com/filippi-claudia/champ/actions/workflows/build_champ_trexio_qmckl.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/build_champ_trexio_qmckl.yml) [![Build Docker Image](https://github.com/filippi-claudia/champ/actions/workflows/docker-image.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/docker-image.yml) [![Publish Docker image](https://github.com/filippi-claudia/champ/actions/workflows/docker-publish.yml/badge.svg?branch=main)](https://github.com/filippi-claudia/champ/actions/workflows/docker-publish.yml) [![TREXIO python interface](https://github.com/filippi-claudia/champ/actions/workflows/test_python.yml/badge.svg)](https://github.com/filippi-claudia/champ/actions/workflows/test_python.yml) ![Github Issues](https://img.shields.io/github/issues/filippi-claudia/champ) ![Github Pull Requests](https://img.shields.io/github/issues-pr/filippi-claudia/champ) ![Github Last Commit](https://img.shields.io/github/last-commit/filippi-claudia/champ) [![Commit Activity](https://img.shields.io/github/commit-activity/w/filippi-claudia/champ)](https://img.shields.io/github/commit-activity/t/filippi-claudia/champ @@ -140,7 +140,7 @@ Here are a couple of recipes for commonly used computing facilities, which can b ```bash module purge module load 2022 - module load intel/2022a + module load intel/2022a module load HDF5/1.12.2-iimpi-2022a ``` then set-up the build: @@ -189,13 +189,13 @@ Here are a couple of recipes for commonly used computing facilities, which can b - To build with mpiifort, load the required modules of the Intel Compiler and MPI: ```bash - module load cmake/latest + module load cmake/latest module load compiler-rt/latest module load debugger/latest module load compiler/latest module load icc/latest module load mpi/latest - module load hdf5/latest + module load hdf5/latest module load tbb/latest module load dpl/latest module load dev-utilities/latest @@ -211,7 +211,7 @@ Here are a couple of recipes for commonly used computing facilities, which can b cmake -H. -Bbuild \ -DCMAKE_Fortran_COMPILER=mpiifort -DENABLE_TREXIO=ON \ -DTREXIO_LIBRARY=/software/libraries/trexio/latest/lib/libtrexio.so \ - -DTREXIO_INCLUDE_DIR=/software/libraries/trexio/latest/include/ + -DTREXIO_INCLUDE_DIR=/software/libraries/trexio/latest/include/ ``` - To disable vectorization of the code: ``` @@ -239,13 +239,13 @@ Here are a couple of recipes for commonly used computing facilities, which can b module load compiler/latest module load icc/latest module load mpi/latest - module load hdf5/latest + module load hdf5/latest module load tbb/latest module load dpl/latest module load dev-utilities/latest module load mkl/latest module load trexio/latest - + cd $PWD mpirun -np 64 champ/bin/vmc.mov1 -i input.inp -o output.out -e error ```