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phockett / ePSproc

Post-processing of ePolyScat calculations
GNU General Public License v3.0
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Improve packaging #16

Open phockett opened 4 years ago

phockett commented 4 years ago

Minimal requirements in requirements.txt

TO do for Conda env: Save env listing: conda list --explicit > bio-env.txt Recreate from file: conda env create --file bio-env.txt

phockett commented 3 months ago

Quick conda env build scripts for local env creation added in 0c2e0880ec6cc1aabc654301557b07050fc1a8ed

Note these are in the docker dir, and mainly use those builds (or QM3 versions, https://github.com/phockett/Quantum-Metrology-with-Photoelectrons-Vol3/tree/main/docker) as a basis for a local (non-docker) build, although should also work in container.

TODO: tidy up, merge with Docker build files (?), and update at https://github.com/phockett/open-photoionization-docker-stacks

phockett commented 2 months ago

Note: enabled repo in Zenodo, should automatically pull and generate DOI on next release.