search

ReactionMechanismGenerator / RMG-tests

Continous Integration Testing Platform for RMG-Py
3 stars 14 forks source link

Fix path to MOPAC executable #80

Closed sevyharris closed 2 years ago

sevyharris commented 2 years ago

The Superminimal regression test fails because the MOPAC license wasn't properly installed in the install.sh script.

The error given from this Github Actions log file:

yes 'Yes' | $BASE_DIR/miniconda/envs/benchmark/bin/mopac $MOPACKEY > /dev/null
./install.sh: line 129: /home/runner/work/RMG-tests/RMG-tests/miniconda/envs/benchmark/bin/mopac: No such file or directory

It looks like this was just because the path to the mopac bin file was wrong. The base folder should be /usr/share/miniconda/envs/benchmark instead of /home/runner/work/RMG-tests/RMG-tests/miniconda/envs/benchmark

Hopefully this commit fixes the error. Check the Github Actions log in two hours to see if that worked.

sevyharris commented 2 years ago

superminimal test passes now!

aromatics status: 0
nitrogen status: 1
sulfur status: 0
oxidation status: 1
liquid oxidation status: 1
superminimal status: 0
eg1 status: 0
Failed regression tests (non-zero exit code from regression test)
Error: Process completed with exit code 1.