diff --git a/.gitignore b/.gitignore index 7d14610..68375e4 100644 --- a/.gitignore +++ b/.gitignore @@ -23,6 +23,7 @@ var/ *.egg-info/ .installed.cfg *.egg +.pytest_cache/ # PyInstaller # Usually these files are written by a python script from a template @@ -93,3 +94,4 @@ ENV/ .*.swp .*.swo +docker/adus* diff --git a/elsepa/run.py b/elsepa/run.py index 0f8a3f5..62f6db0 100644 --- a/elsepa/run.py +++ b/elsepa/run.py @@ -6,13 +6,13 @@ def elscata(settings: Settings): - with DockerContainer('elsepa', working_dir='/opt/elsepa') as elsepa: + with DockerContainer('elsepa', working_dir='/root') as elsepa: elsepa.put_archive( Archive('w') .add_text_file('input.dat', generate_elscata_input(settings)) .close()) - elsepa.sh('./elscata < input.dat', + elsepa.sh('elscata < input.dat', 'mkdir result && mv *.dat result') result_tar = elsepa.get_archive('result') diff --git a/setup.py b/setup.py index 6e43fe4..1f7f7fc 100644 --- a/setup.py +++ b/setup.py @@ -31,7 +31,7 @@ 'Programming Language :: Python :: 3', 'Topic :: Scientific/Engineering :: Physics'], install_requires=[ - 'pint==0.8.1', 'numpy==1.13.0', 'docker==2.4.0', 'cslib', 'noodles[prov,numpy]==0.2.3'], + 'pint==0.8.1', 'numpy==1.13.0', 'docker==2.4.0', 'cslib', 'noodles'], extras_require={ 'test': ['pytest'] },