Re: [galaxy-dev] OpenBabel Requirements

2017-05-20 Thread Björn Grüning
Hi Matthias, so I spend a few hours to upgrade most (not all) tools to conda. This was overdue ... I also put togehter a Docker container: https://github.com/bgruening/docker-galaxy-chemicaltoolbox You can start it with: docker run -i -t -p 8080:80 quay.io/bgruening/galaxy-chemicaltoolbox

Re: [galaxy-dev] OpenBabel Requirements

2017-05-19 Thread Matthias Bernt
Hi Bjoern, I thought I'm using conda .. :). I'm using the ansible galaxy-tools-playbook to install tools. I tried before if ansible installation and installation via the web interface give the same results -- and I recalled that the results were identical. But I was wrong -- sorry for the

Re: [galaxy-dev] OpenBabel Requirements

2017-05-18 Thread Matthias Bernt
Hi Bjoern, thanks for the explanation. This helped for the openbabel package. Still there are some packages where I have problems. I guess this is because on our system the libraries are mostly at non-default locations. Currently I have problems to install BLAT. It complains about a missing

[galaxy-dev] OpenBabel Requirements

2017-05-17 Thread Matthias Bernt
Dear galaxy-dev list, I have problems to install package_openbabel. The problem seems to be that cmake is not found during installation. The documentation also states that: "Compiling OpenBabel requires g++ and CMake 2.4+" My question is: Does this refer to cmake installed on the system or