material science packages (init and update): lammps, python - ase, pymatgen-lammps, lammps-cython, dftfit #44752
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costrouc
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Major changes and update to lammps build - using fetchFromGitHub to get source instead of lammps mirror - configurable lammps packages included and includes for compilation - cleaner build script - preserving the executable, shared library names, and include headers
- fetchFromGitHub to run all tests - all tests pass
- package does not come with tests
- fetchFromGitHub to get all tests - all tests pass - python 2.7, 3+
- moved docutils to `python-modules`
- python 2.7, 3+ - all tests pass - package is depricated but is required by a package
- tests just hang so skipping tests - python 2.7, 3+ - repository is in gitlab so had to fetchurl
- c++ headers for library - parallel optimization framework - all tests but 1/55 pass so skipping tests
- python 2.7, 3+ - skipping tests becuase none are easy to run (require some parallel workers) - fetchFromgitHub so that running tests in future is possible
- all tests pass - python 3+ - fetchurl since package is on gitlab
- python 3+ - all tests pass - fetchurl since project based in gitlab and to run tests
- tests require lfs download so not run - python 3+ - fetchpypi since fetchurl is large download
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costrouc
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Pull request is now complete and ready for reviews and merging. |
FRidh
reviewed
Aug 25, 2018
| version = "3.16.2"; | ||
| pname = "ase"; | ||
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| src = fetchurl { |
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fetchPypi is the preferred fetcher
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@GrahamcOfBorg build python.pkgs.docutils python3.pkgs.docutils python.pkgs.pathlib python3.pkgs.pathlib python.pkgs.statistics python3.pkgs.statistics |
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Success on x86_64-linux (full log) Attempted: python.pkgs.docutils, python3.pkgs.docutils, python.pkgs.pathlib, python.pkgs.statistics, python3.pkgs.statistics The following builds were skipped because they don't evaluate on x86_64-linux: python3.pkgs.pathlib Partial log (click to expand)
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Success on aarch64-linux (full log) Attempted: python.pkgs.docutils, python3.pkgs.docutils, python.pkgs.pathlib, python.pkgs.statistics, python3.pkgs.statistics The following builds were skipped because they don't evaluate on aarch64-linux: python3.pkgs.pathlib Partial log (click to expand)
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Timed out, unknown build status on x86_64-darwin (full log) Attempted: python.pkgs.docutils, python3.pkgs.docutils, python.pkgs.pathlib, python.pkgs.statistics, python3.pkgs.statistics The following builds were skipped because they don't evaluate on x86_64-darwin: python3.pkgs.pathlib Partial log (click to expand)
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Motivation for this change
I wanted to be able to do all my research using
nixfor the package management on hpc clusters. To do this I need to packagedftfitwhich has many dependencies. With this work my package is now available.Things done
python-modulespython-modulesAll packages pass with sandbox and work with python 2.7, 3+ if compatible. Every attempt was made to make all tests run and pass. But each package was checked to make sure that it worked.
sandboxinnix.confon non-NixOS)nix-shell -p nox --run "nox-review wip"./result/bin/)nix path-info -Sbefore and after)