From 6012f089f3e4d2da1dacdf9025c202e17353b11a Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 4 Jul 2024 11:39:21 +0200
Subject: [PATCH] Update .gitlab-ci.yml file
---
.gitlab-ci.yml | 30 +++++++++++++++++++++++++++---
1 file changed, 27 insertions(+), 3 deletions(-)
diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 5285215ad..6476bce78 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -15,9 +15,7 @@ test:ubuntu22.04:
- apt-get update -y
- apt-get install -y cmake
- apt-get install -y g++
- - apt-get install -y gfortran
- apt-get install -y wget
- - apt-get install -y tar
- apt-get install -y libsqlite3-dev
- apt-get install -y sip-dev
- apt-get install -y libtiff-dev
@@ -30,11 +28,37 @@ test:ubuntu22.04:
- apt-get install -y python3-scipy
- apt-get install -y python3-networkx
- apt-get install -y clustalw
- - apt-get install -y cython3
- apt-get install -y voronota
- apt-get install -y libopenmm-dev
- apt-get install -y libparasail-dev
- echo "... done running ubuntu22.04 'before_script'."
script:
- echo "Testing on Ubuntu 22.04..."
+ - echo " Building OST..."
+ - mkdir build-ci
+ - cd build-ci
+ - cmake .. -DOPTIMIZE=ON
+ -DENABLE_GFX=ON
+ -DENABLE_GUI=OFF
+ -DENABLE_INFO=OFF
+ -DENABLE_MM=1
+ -DOPEN_MM_PLUGIN_DIR=/usr/lib/x86_64-linux-gnu/openmm
+ -DENABLE_PARASAIL=1
+ - make -j 2
+ - echo " ... done building OST."
+ - echo " Downloading chemical compounds..."
+ - wget ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz
+ - echo " ... done downloading compounds"
+ - echo " Building a compound library..."
+ - stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb -i
+ - stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm
+ - echo " ... done building the compound lib."
+ - echo " Building OST with the compound lib..."
+ - cmake .. -DCOMPOUND_LIB=compounds.chemlib
+ - make -j 2
+ - echo " ... done building OST with the compound library..."
+ - echo " Running unit tests for OST..."
+ - make check
+ - echo " ... done running unit tests for OST..."
- echo "... done testing on Ubuntu 22.04."
+
--
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