diff --git a/.ci_support/linux_64_.yaml b/.ci_support/linux_64_.yaml index 6c59082..82f2873 100644 --- a/.ci_support/linux_64_.yaml +++ b/.ci_support/linux_64_.yaml @@ -1,5 +1,5 @@ cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index 97dc8d9..6c805a9 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -69,7 +69,6 @@ else --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file "${CI_SUPPORT}/clobber_${CONFIG}.yaml" \ --extra-meta flow_run_id="${flow_run_id:-}" remote_url="${remote_url:-}" sha="${sha:-}" - ( startgroup "Inspecting artifacts" ) 2> /dev/null # inspect_artifacts was only added in conda-forge-ci-setup 4.6.0 diff --git a/README.md b/README.md index 0638730..e65c32a 100644 --- a/README.md +++ b/README.md @@ -7,11 +7,11 @@ Home: https://github.com/Becksteinlab/GromacsWrapper Package license: GPL-3.0-or-later -Summary: A python wrapper around the Gromacs tools. +Summary: A Python wrapper around the Gromacs tools. Development: https://github.com/Becksteinlab/GromacsWrapper -Documentation: https://pythonhosted.org/GromacsWrapper/ +Documentation: https://gromacswrapper.readthedocs.io/ GromacsWrapper is a Python package that wraps system calls to GROMACS tools into thin classes. This allows for fairly seamless integration diff --git a/build-locally.py b/build-locally.py index e0d408d..8ac9b84 100755 --- a/build-locally.py +++ b/build-locally.py @@ -1,13 +1,16 @@ -#!/usr/bin/env python3 +#!/bin/sh +"""exec' "python3" "$0" "$@" #""" # fmt: off # fmt: on # # This file has been generated by conda-smithy in order to build the recipe # locally. # -import os +# The line above this comment is a bash / sh / zsh guard +# to stop people from running it with the wrong interpreter import glob +import os +import platform import subprocess from argparse import ArgumentParser -import platform def setup_environment(ns): diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 9b93eb8..d3a699d 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,5 +1,5 @@ {% set name = "gromacswrapper" %} -{% set version = "0.9.0" %} +{% set version = "0.9.1" %} package: @@ -8,7 +8,7 @@ package: source: url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz - sha256: 838b28247cd5fa1709db0c9df83881972b700a6850d2fb4a407bcd55d4989a42 + sha256: f196666ff22c97e51068c36393d447d259bd067dd22b3e22393ab61e5892a855 build: number: 0 @@ -19,6 +19,7 @@ requirements: host: - pip - python >=3.9 + - setuptools run: - matplotlib-base - numkit