diff --git a/conveyorlc/README.md b/conveyorlc/README.md new file mode 100644 index 0000000..d90830e --- /dev/null +++ b/conveyorlc/README.md @@ -0,0 +1,11 @@ +# conveyorlc + +This is an attempt to create a base environment and we need. +Nix just has one version, so we have to use that. + +- openmpi +- boost@1.72 (with mpi bindings) +- conduit@0.8.4 +hdf5 +- openbabel@3.0.0 ~python ~gui + +Note that we are just missing conduit (@vsoch is going to make a nix package). diff --git a/conveyorlc/devbox.json b/conveyorlc/devbox.json new file mode 100644 index 0000000..f2f2196 --- /dev/null +++ b/conveyorlc/devbox.json @@ -0,0 +1,13 @@ +{ + "packages": [ + "boost172", + "openbabel", + "python3", + "openmpi", + "hdf5", + "hdf5-mpi" + ], + "shell": { + "init_hook": null + } +} diff --git a/conveyorlc/devenv.nix b/conveyorlc/devenv.nix new file mode 100644 index 0000000..82d35ba --- /dev/null +++ b/conveyorlc/devenv.nix @@ -0,0 +1,26 @@ +{ pkgs, ... }: + +{ + # https://devenv.sh/basics/ + env.GREET = "devenv"; + + # https://devenv.sh/packages/ + packages = [ pkgs.openmpi pkgs.boost172 pkgs.openbabel pkgs.python3, pkgs.hdf5, pkgs.hdf5-mpi ]; + + enterShell = '' + hello + git --version + ''; + + # https://devenv.sh/languages/ + languages.nix.enable = true; + + # https://devenv.sh/scripts/ + scripts.hello.exec = "echo hello from $GREET"; + + # https://devenv.sh/pre-commit-hooks/ + # pre-commit.hooks.shellcheck.enable = true; + + # https://devenv.sh/processes/ + # processes.ping.exec = "ping example.com"; +} diff --git a/conveyorlc/devenv.yaml b/conveyorlc/devenv.yaml new file mode 100644 index 0000000..34598b4 --- /dev/null +++ b/conveyorlc/devenv.yaml @@ -0,0 +1,3 @@ +inputs: + nixpkgs: + url: github:NixOS/nixpkgs/master diff --git a/conveyorlc/shell.nix b/conveyorlc/shell.nix new file mode 100644 index 0000000..043f5dd --- /dev/null +++ b/conveyorlc/shell.nix @@ -0,0 +1,11 @@ +{ pkgs ? import {} }: +pkgs.mkShell { + buildInputs = [ + pkgs.openmpi + pkgs.boost172 + pkgs.openbabel + pkgs.python3 + pkgs.hdf5 + pkgs.hdf5-mpi + ]; +} diff --git a/conveyorlc/uptodate.yaml b/conveyorlc/uptodate.yaml new file mode 100644 index 0000000..f9bbec9 --- /dev/null +++ b/conveyorlc/uptodate.yaml @@ -0,0 +1,7 @@ +dockerbuild: + + build_args: + boost_version: + key: boost + versions: + - "172"