From 8ef970e4d7f2b3c38da064e85a9dbe1f82e9952b Mon Sep 17 00:00:00 2001 From: "M. Eric Irrgang" <mei2n@virginia.edu> Date: Sun, 25 Mar 2018 18:59:00 -0500 Subject: [PATCH 1/2] Update README.md Update git release references --- README.md | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index f4cd26230d..177bfc22cb 100644 --- a/README.md +++ b/README.md @@ -185,15 +185,14 @@ If you will be running the testing suite, you also need `virtualenv` and `tox`. Get a copy of this repository, if you haven't already. For a released version, you can just download a source package. - (myenv)$ wget https://github.com/kassonlab/gmxapi/archive/dev_0_0_4.zip - (myenv)$ unzip dev_0_0_4.zip - (myenv)$ cd gmxapi-dev_0_0_4 + (myenv)$ wget https://github.com/kassonlab/gmxapi/archive/v0.0.4.zip + (myenv)$ unzip v0_0_4.zip + (myenv)$ cd gmxapi-v0_0_4 For a development branch, you should probably clone the repository. You may not already have `git` installed on your system or you may need to load a module for it on an HPC system, which you will need to do before trying the following. (myenv)$ git clone https://github.com/kassonlab/gmxapi.git (myenv)$ cd gmxapi - (myenv)$ git checkout dev_0_0_4 For simplicity, let this package build and install a local GROMACS for you by setting the BUILDGROMACS environment variable. To be on the safe side, make sure to give hints to use the compilers you intend. For instance, if we loaded a gcc module, help make sure pip doesn't default to the system `/bin/cc` or some such. From 1a561ac03b5a2c835edb39c00fcef5c383210284 Mon Sep 17 00:00:00 2001 From: "M. Eric Irrgang" <mei2n@virginia.edu> Date: Sun, 25 Mar 2018 19:00:59 -0500 Subject: [PATCH 2/2] Update setup.py Update download link --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index b1b5461752..c0c6ce28fd 100644 --- a/setup.py +++ b/setup.py @@ -208,7 +208,7 @@ def build_extension(self, ext): # Linking is a pain because the package is relocated to the site-packages directory. We should really do this # in two stages. if build_gromacs: - gromacs_url = "https://github.com/kassonlab/gromacs-gmxapi/archive/dev_0_0_4.zip" + gromacs_url = "https://github.com/kassonlab/gromacs-gmxapi/archive/v0_0_4.zip" gmxapi_DIR = os.path.join(extdir, 'data/gromacs') extra_cmake_args = ['-DCMAKE_INSTALL_PREFIX=' + gmxapi_DIR, '-DGMX_FFT_LIBRARY=fftpack',