diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 045202d8aa3cb9f583cf32725c114c0beea7a0af..c24946cd10dc69d536b2b640b315799d87ec420c 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -47,7 +47,6 @@ test:centos7.3: - echo " Building OST..." - mkdir build-ci - cd build-ci - - wget ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz - cmake .. -DENABLE_MM=1 -DOPEN_MM_LIBRARY=$EBROOTOPENMM/lib/libOpenMM.so -DOPEN_MM_PLUGIN_DIR=$EBROOTOPENMM/lib/plugins @@ -78,6 +77,9 @@ test:centos7.3: -DCMAKE_EXE_LINKER_FLAGS=" -pthread" - make -j 2 chemdict_tool - 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