From 67c104744932855746d9f00dcb30d82d17cb6e4a Mon Sep 17 00:00:00 2001 From: greg landrum Date: Mon, 13 Sep 2021 13:57:18 +0200 Subject: [PATCH] Fixes #4486 --- .azure-pipelines/linux_build_cartridge.yml | 8 +++++--- Code/PgSQL/rdkit/expected/reaction.out | 12 ++++++------ azure-pipelines.yml | 13 ++----------- 3 files changed, 13 insertions(+), 20 deletions(-) diff --git a/.azure-pipelines/linux_build_cartridge.yml b/.azure-pipelines/linux_build_cartridge.yml index 4921b79c1..500cd038a 100644 --- a/.azure-pipelines/linux_build_cartridge.yml +++ b/.azure-pipelines/linux_build_cartridge.yml @@ -1,9 +1,10 @@ steps: - bash: | sudo apt-get update - sudo apt-get install -y libboost-all-dev postgresql-10 postgresql-server-dev-10 - sudo service postgresql start - #sudo su postgres + sudo apt-get remove postgresql postgresql-13 postgresql-client-13 postgresql-common postgresql-client-common + sudo apt purge postgresql postgresql-13 postgresql-client-13 postgresql-common postgresql-client-common + sudo apt-get install -y libboost-all-dev postgresql-common postgresql-12 postgresql-server-dev-12 + echo "add user" sudo -u postgres createuser -s `whoami` displayName: Setup build environment - bash: | @@ -37,6 +38,7 @@ steps: if [ -e ./Code/PgSQL/rdkit/regression.diffs ] then cat ./Code/PgSQL/rdkit/regression.diffs + exit 1 fi displayName: Run tests diff --git a/Code/PgSQL/rdkit/expected/reaction.out b/Code/PgSQL/rdkit/expected/reaction.out index fbcbc8ed4..a63627aa3 100644 --- a/Code/PgSQL/rdkit/expected/reaction.out +++ b/Code/PgSQL/rdkit/expected/reaction.out @@ -20,15 +20,15 @@ SELECT reaction_from_smiles('c1ccccc1>CC(=O)O>c1cccnc1'); (1 row) SELECT reaction_from_smarts('[c1:1][c:2][c:3][c:4]c[c1:5]>CC(=O)O>[c1:1][c:2][c:3][c:4]n[c1:5]'); - reaction_from_smarts ---------------------------------------------------------------------------------- - c([cH:4][cH:3][cH:2][cH2:1])[cH2:5]>CC(=O)O>n([cH:4][cH:3][cH:2][cH2:1])[cH2:5] + reaction_from_smarts +------------------------------------------------------------------- + c([c:4][c:3][c:2][c:1])[c:5]>CC(O)=O>n([c:4][c:3][c:2][c:1])[c:5] (1 row) SELECT reaction_from_smarts('C(F)(F)F.[c1:1][c:2][c:3][c:4]c[c1:5]>CC(=O)O>[c1:1][c:2][c:3][c:4]n[c1:5]'); - reaction_from_smarts ----------------------------------------------------------------------------------------- - c([cH:4][cH:3][cH:2][cH2:1])[cH2:5]>CC(=O)O.FC(F)F>n([cH:4][cH:3][cH:2][cH2:1])[cH2:5] + reaction_from_smarts +-------------------------------------------------------------------------- + c([c:4][c:3][c:2][c:1])[c:5]>CC(O)=O.FC(F)F>n([c:4][c:3][c:2][c:1])[c:5] (1 row) SELECT reaction_from_smarts('c1ccc[n,c]c1>>c1nccnc1'); diff --git a/azure-pipelines.yml b/azure-pipelines.yml index 3c053b540..f5b75de5c 100644 --- a/azure-pipelines.yml +++ b/azure-pipelines.yml @@ -73,24 +73,15 @@ jobs: target_platform: 10.9 steps: - template: .azure-pipelines/mac_build_java.yml -- job: Ubuntu_18_04_x64_cartridge +- job: Ubuntu_20_04_x64_cartridge timeoutInMinutes: 90 pool: - vmImage: ubuntu-18.04 + vmImage: ubuntu-20.04 variables: boost_version: 1.69.0 number_of_cores: nproc steps: - template: .azure-pipelines/linux_build_cartridge.yml -- job: Ubuntu_18_04_x64_fuzzer - timeoutInMinutes: 90 - pool: - vmImage: ubuntu-18.04 - variables: - boost_version: 1.67.0 - number_of_cores: nproc - steps: - - template: .azure-pipelines/linux_build_fuzzer.yml - job: Ubuntu_18_04_x64_limitexternaldependencies timeoutInMinutes: 90 pool: