diff --git a/drone/Docker/README.md b/drone/Docker/README.md deleted file mode 100644 index eb569777..00000000 --- a/drone/Docker/README.md +++ /dev/null @@ -1,8 +0,0 @@ -Docker files to build the containers used with DroneCI. - -Example: -``` -docker build -t ubuntu/qp2_env . - -``` - diff --git a/drone/Docker/Ubuntu/Dockerfile b/drone/Docker/Ubuntu/Dockerfile deleted file mode 100644 index 05d87ad8..00000000 --- a/drone/Docker/Ubuntu/Dockerfile +++ /dev/null @@ -1,27 +0,0 @@ -ARG UBUNTU_VERSION=20.04 -FROM ubuntu:${UBUNTU_VERSION} AS builder - -# Timezone for tzdata -ARG tz=Etc/UTC -RUN echo $tz > /etc/timezone && rm -rf /etc/localtime - -# Install -RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \ - git \ - curl \ - wget \ - python3 \ - gfortran \ - gcc \ - g++ \ - make \ - build-essential \ - rsync \ - unzip \ - libopenblas-dev \ - pkg-config \ - m4 - -RUN ln -s /usr/bin/python3 /usr/bin/python - - diff --git a/drone/compilation.sh b/drone/compilation.sh deleted file mode 100755 index 071b4872..00000000 --- a/drone/compilation.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash -# Stage 2 - -# Extract cache from config stage -cd ../ -tar -zxf $HOME/cache/config.tgz - -# Configure QP2 -cd qp2 -source ./quantum_package.rc -ninja -j 1 -v || exit -1 - -# Create cache -cd .. -tar -zcf $HOME/cache/compil.tgz qp2 && rm $HOME/cache/config.tgz - diff --git a/drone/configuration.sh b/drone/configuration.sh deleted file mode 100755 index f925107d..00000000 --- a/drone/configuration.sh +++ /dev/null @@ -1,10 +0,0 @@ -#!/bin/bash -# Stage 1 - -# Configure QP2 -./configure --download all --install all --config ./config/travis.cfg || exit -1 - -# Create cache -cd ../ -tar -zcf $HOME/cache/config.tgz qp2 - diff --git a/drone/drone_docker.yml b/drone/drone_docker.yml deleted file mode 100644 index d1eb7175..00000000 --- a/drone/drone_docker.yml +++ /dev/null @@ -1,30 +0,0 @@ ---- -kind: pipeline -type: docker -name: default - -clone: - depth: 10 - -steps: -- name: configure - pull: never - image: ubuntu/qp2_env - commands: - - ./configure -i all -c ./config/gfortran_debug.cfg - - source quantum_package.rc ; qp plugins download https://gitlab.com/scemama/qp_plugins_scemama - - source quantum_package.rc ; qp plugins install champ - -- name: compile - pull: never - image: ubuntu/qp2_env - commands: - - ninja - -- name: testing - pull: never - image: ubuntu/qp2_env - commands: - - qp test - - diff --git a/drone/drone_ssh.yml b/drone/drone_ssh.yml deleted file mode 100644 index 99397f11..00000000 --- a/drone/drone_ssh.yml +++ /dev/null @@ -1,29 +0,0 @@ -kind: pipeline -type: ssh -name: default - -clone: - depth: 10 - -server: - host: 130.120.229.139 - user: test - password: - from_secret: ssh_pass - -steps: -- name: configure - commands: - - ./configure -i all -c ./config/gfortran_debug.cfg - - source quantum_package.rc ; qp plugins download https://gitlab.com/scemama/qp_plugins_scemama - - source quantum_package.rc ; qp plugins install champ - -- name: compile - commands: - - ninja - -- name: testing - commands: - - qp test - - diff --git a/drone/testing.sh b/drone/testing.sh deleted file mode 100755 index f67bd106..00000000 --- a/drone/testing.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash -# Stage 3 - -# Extract cache from compile stage -cd ../ -tar -zxf $HOME/cache/compil.tgz - -# Configure QP2 -cd qp2 -source ./quantum_package.rc -exec qp_test -a && rm $HOME/cache/compil.tgz - - - - - diff --git a/src/cisd/30.cisd.bats b/src/cisd/30.cisd.bats index 58d996f8..6e110aa3 100644 --- a/src/cisd/30.cisd.bats +++ b/src/cisd/30.cisd.bats @@ -77,7 +77,7 @@ function run() { [[ -n $TRAVIS ]] && skip qp set_file ch4.ezfio qp set_mo_class --core="[1]" --act="[2-30]" --del="[31-59]" - run -40.2403962667047 -39.8433221754964 + run -40.2403962667047 -39.843315 } @test "SiH3" { # 20.2202s 1.38648m