diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 56f28788439068c78f86dd8bcfc5203099d84c8c..045202d8aa3cb9f583cf32725c114c0beea7a0af 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -76,14 +76,15 @@ test:centos7.3: -DCMAKE_C_FLAGS='-L${EBROOTLIBPNG}/lib/ -L${EBROOTLIBTIFF}/lib/ -L${EBROOTZLIB}/lib/ -isystem ${EBROOTBOOST}/include -isystem ${EBROOTOPENMM}/include' -DCMAKE_CXX_FLAGS='-L${EBROOTLIBPNG}/lib/ -L${EBROOTLIBTIFF}/lib/ -L${EBROOTZLIB}/lib/ -isystem ${EBROOTBOOST}/include -isystem ${EBROOTOPENMM}/include' -DCMAKE_EXE_LINKER_FLAGS=" -pthread" - - make -j 2 + - make -j 2 chemdict_tool - echo " ... done building OST." - echo " Building a compound library..." - - stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb - stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm + - 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