diff --git a/.github/renovate.json b/.github/renovate.json index c54154b..8ffd0ab 100644 --- a/.github/renovate.json +++ b/.github/renovate.json @@ -15,5 +15,34 @@ "groupName": "GitHub Actions", "addLabels": ["ci", "dependencies"] } + ], + "customManagers": [ + { + "customType": "regex", + "managerFilePatterns": [ + "/(^|/)Dockerfile[^/]*$/" + ], + "matchStringsStrategy": "recursive", + "matchStrings": [ + "pip3? install[\\s\\S]*?(?(?:[\\w.-]+==[\\w.-]+[\\s\\\\]*)+)", + "(?[\\w.-]+)==(?[\\w.-]+)" + ], + "datasourceTemplate": "pypi", + "versioningTemplate": "pep440" + }, + { + "customType": "regex", + "managerFilePatterns": [ + "/(^|/)Dockerfile[^/]*$/" + ], + "matchStringsStrategy": "recursive", + "matchStrings": [ + "(?:mamba|conda) install[\\s\\S]*?(?(?:(?:[\\w-]+::)?[\\w.-]+=[\\w.-]+[\\s\\\\]*)+)", + "(?:(?[\\w-]+)::)?(?[\\w.-]+)=(?[\\w.-]+)" + ], + "datasourceTemplate": "conda", + "registryUrlTemplate": "https://api.anaconda.org/package/{{#if channel}}{{channel}}{{else}}conda-forge{{/if}}/", + "versioningTemplate": "pep440" + } ] } diff --git a/docker/Dockerfile b/docker/Dockerfile index 36eef9d..592ddf4 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -10,11 +10,11 @@ WORKDIR $HOME # Install workshop deps RUN conda install -y -c conda-forge \ - matplotlib=3.11.1 \ - numpy=2.5.3 \ - pandas=3.0.5 \ - nglview=4.0.1 \ - ipywidgets=8.1.9 + conda-forge::matplotlib=3.11.1 \ + conda-forge::numpy=2.5.3 \ + conda-forge::pandas=3.0.5 \ + conda-forge::nglview=4.0.1 \ + conda-forge::ipywidgets=8.1.9 RUN pip install --no-cache-dir \ mdtraj==1.11.1