diff --git a/python/energy_flow_proper/05_gaussian_two_baths/flake.nix b/python/energy_flow_proper/05_gaussian_two_baths/flake.nix index 1bc9281..402c797 100644 --- a/python/energy_flow_proper/05_gaussian_two_baths/flake.nix +++ b/python/energy_flow_proper/05_gaussian_two_baths/flake.nix @@ -8,21 +8,15 @@ outputs = { self, utils, nixpkgs, ... }: (utils.lib.poetry2nixWrapper nixpkgs { - name = "05_gaussian_twobath"; - shellPackages = pkgs: with pkgs; [ pyright python39Packages.jupyter python39Packages.jupyter ]; - python = pkgs: pkgs.python39Full; + name = "05_gaussian_twobath_new"; + shellPackages = pkgs: with pkgs; [ pyright python39Packages.jupyter ]; + python = pkgs: pkgs.python39; shellOverride = (oldAttrs: { shellHook = '' - export PYTHONPATH=/home/hiro/src/hopsflow/:$PYTHONPATH +# export PYTHONPATH=/home/hiro/src/hopsflow/:$PYTHONPATH ''; }); - extraOverrides = self: super: { - numba = super.numba.override ( - { - preferWheel = false; - }); - }; noPackage = true; poetryArgs = { diff --git a/python/energy_flow_proper/05_gaussian_two_baths/poetry.lock b/python/energy_flow_proper/05_gaussian_two_baths/poetry.lock index 664e471..041dfb9 100644 --- a/python/energy_flow_proper/05_gaussian_two_baths/poetry.lock +++ b/python/energy_flow_proper/05_gaussian_two_baths/poetry.lock @@ -37,14 +37,6 @@ cffi = ">=1.0.1" dev = ["pytest", "cogapp", "pre-commit", "wheel"] tests = ["pytest"] -[[package]] -name = "asteval" -version = "0.9.26" -description = "Safe, minimalistic evaluator of python expression using ast module" -category = "main" -optional = false -python-versions = ">=3.6" - [[package]] name = "asttokens" version = "2.0.5" @@ -294,7 +286,7 @@ scipy = "^1.7.3" type = "git" url = "https://github.com/vale981/fcSpline" reference = "master" -resolved_reference = "d10ecf2045c5aa8f2a9982ea66109b8c6f0433ca" +resolved_reference = "c979361a3e7d3d0eb7f16b99cb58b424156fd788" [[package]] name = "filelock" @@ -329,14 +321,6 @@ ufo = ["fs (>=2.2.0,<3)"] unicode = ["unicodedata2 (>=14.0.0)"] woff = ["zopfli (>=0.1.4)", "brotlicffi (>=0.8.0)", "brotli (>=1.0.1)"] -[[package]] -name = "future" -version = "0.18.2" -description = "Clean single-source support for Python 3 and 2" -category = "main" -optional = false -python-versions = ">=2.6, !=3.0.*, !=3.1.*, !=3.2.*" - [[package]] name = "grpcio" version = "1.43.0" @@ -391,30 +375,7 @@ typer = "^0.4.0" type = "git" url = "git@gitlab.hrz.tu-chemnitz.de:s8896854--tu-dresden.de/hops.git" reference = "main" -resolved_reference = "536c71e90a9010846a3705b0e90d1b1010af7045" - -[[package]] -name = "hopsflow" -version = "1.0.5" -description = "Calculating open system bath energy changes with HOPS and analytically." -category = "main" -optional = false -python-versions = ">=3.9,<3.11" -develop = false - 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