Minor changes

1. Modification to remove imdreader reference from `*.md`, `*.toml` et. al. files

Author: amruthesht

.github/workflows/gh-ci.yaml

@@ -96,10 +96,6 @@ jobs:
     - name: Run IMDClient tests
       run: |
         pytest -n auto -v --cov=imdclient --cov-report=xml --color=yes imdclient/tests/test_imdclient.py
-  
-    - name: Run IMDReader tests
-      run: |
-        pytest -n auto -v --cov=imdclient --cov-report=xml --color=yes imdclient/tests/test_imdreader.py
 
     - name: codecov
       if: github.event_name != 'schedule'

AUTHORS.md

@@ -4,7 +4,7 @@ IMDClient was created by Lawson in 2024.
 
 
 <!-- All contributing authors are listed in this file below.
-The repository history at https://github.com/becksteinlab/imdreader
+The repository history at https://github.com/becksteinlab/imdclient
 and the CHANGELOG show individual code contributions. -->
 
 ## Chronological list of authors

README.md

@@ -23,7 +23,7 @@ IMDClient
 
 Receiver for [IMDv3 protocol](https://imdclient.readthedocs.io/en/latest/protocol_v3.html) from simulation engines like Gromacs, LAMMPS, and NAMD.
 
-IMDClient is bound by a [Code of Conduct](https://github.com/becksteinlab/imdreader/blob/main/CODE_OF_CONDUCT.md).
+IMDClient is bound by a [Code of Conduct](https://github.com/becksteinlab/imdclient/blob/main/CODE_OF_CONDUCT.md).
 
 ### Installation
 
@@ -53,8 +53,8 @@ conda activate imdclient
 <!-- Install the development and documentation dependencies:
 
 ```
-conda env update --name imdreader --file devtools/conda-envs/test_env.yaml
-conda env update --name imdreader --file docs/requirements.yaml
+conda env update --name imdclient --file devtools/conda-envs/test_env.yaml
+conda env update --name imdclient --file docs/requirements.yaml
 ``` -->
 
 Build this package from source:

docs/requirements.yaml

@@ -1,4 +1,4 @@
-name: imdreader-docs
+name: imdclient-docs
 channels:
 
   - conda-forge

examples/gromacs/slurm/README.md

@@ -1,24 +1,24 @@
 Full walkthrough
 ================
 
-Create IMDReader mamba env
+Create IMDClient mamba env
 --------------------------
 
 Assuming you're in a login node to start, get a compute node:
 ```bash
 salloc -p general
 ```
 
-From the compute node, create env with name "imdreader-test":
+From the compute node, create env with name "imdclient-test":
 ```bash
 mkdir -p workspace
 cd workspace
-git clone https://github.com/Becksteinlab/imdreader.git
+git clone https://github.com/Becksteinlab/imdclient.git
 cd imdreader
 git checkout develop
 module load mamba/latest
 mamba env create --file devtools/conda-envs/test_env.yaml
-source activate imdreader-test
+source activate imdclient-test
 pip install -e .
 ```
 

examples/gromacs/slurm/imd.sh

@@ -17,7 +17,7 @@ env | grep ^SLURM | sort
 env | grep CUDA
 
 module load mamba/latest
-source activate imdreader-test
+source activate imdclient-test
 
 output_dir="output_${SLURM_JOB_ID}"
 mkdir -p $output_dir
@@ -36,7 +36,7 @@ while ! await_gmx_imd; do
     sleep 5
 done
 
-echo "GROMACS is ready. Running IMDReader"
+echo "GROMACS is ready. Running IMD-reader"
 
 python client.py
 

pyproject.toml

@@ -41,20 +41,20 @@ doc = [
 ]
 
 # [project.urls]
-# source = "https://github.com/becksteinlab/imdreader"
-# documentation = "https://imdreader.readthedocs.io"
+# source = "https://github.com/becksteinlab/imdclient"
+# documentation = "https://imdclient.readthedocs.io"
 
 [tool.setuptools]
 packages = ["imdclient"]
 
 # Installs tests datafiles
 [tool.setuptools.package-data]
-"imdreader" = ["data/*"]
+"imdclient" = ["data/*"]
 
 [tool.pytest.ini_options]
 minversion = "6.0"
 testpaths = [
-    "imdreader/tests",
+    "imdclient/tests",
 ]
 
 [tool.black]