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Fix release action #227

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Oct 6, 2023
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1 change: 1 addition & 0 deletions .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -41,6 +41,7 @@ jobs:
python3 -m pip install --upgrade pip
python3 -m pip install --upgrade wheel numpy mpi4py "cython<3"
CC="mpicc" HDF5_MPI="ON" python3 -m pip install --no-binary=h5py h5py
python3 -m pip install "pmesh @ git+https://github.com/rainwoodman/pmesh"
python3 -m pip install -r requirements.txt
- name: Install PLUMED
run: |
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1 change: 1 addition & 0 deletions .github/workflows/docs_pages.yml
Original file line number Diff line number Diff line change
Expand Up @@ -32,6 +32,7 @@ jobs:
run: |
python3 -m pip install --upgrade pip
python3 -m pip install --upgrade wheel numpy mpi4py "cython<3"
python3 -m pip install "pmesh @ git+https://github.com/rainwoodman/pmesh"
python3 -m pip install -r requirements.txt
- name: Install package
run: |
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1 change: 1 addition & 0 deletions .github/workflows/release.yml
Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,7 @@ jobs:
run: |
python3 -m pip install --upgrade pip
python3 -m pip install --upgrade wheel numpy mpi4py "cython<3" twine setuptools
python3 -m pip install "pmesh @ git+https://github.com/rainwoodman/pmesh"
python3 -m pip install -r requirements.txt
- name: Build and publish
env:
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2 changes: 2 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -46,8 +46,10 @@ CC="mpicc" HDF5_MPI="ON" python3 -m pip install --no-binary=h5py h5py
Install HyMD with `pip` by
```bash
python3 -m pip install --upgrade numpy mpi4py cython
python3 -m pip install "pmesh @ git+https://github.com/rainwoodman/pmesh"
python3 -m pip install hymd
```
`pmesh` is installed from the GitHub repository because fixes to be compatible with modern NumPy versions were not pushed to PyPI.
See [HyMD docs](https://cascella-group-uio.github.io/HyMD/doc_pages/installation.html) for more information, including install steps for macOS and non-Debian linux distributions.

#### Run in docker
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3 changes: 3 additions & 0 deletions docs/doc_pages/installation.rst
Original file line number Diff line number Diff line change
Expand Up @@ -77,6 +77,7 @@ Dependencies
python3 -m pip install --upgrade pip
CC="mpicc" HDF5_MPI="ON" python3 -m pip install --no-binary=h5py h5py
python3 -m pip install mpi4py numpy cython
python3 -m pip install "pmesh @ git+https://github.com/rainwoodman/pmesh"


.. group-tab:: Fedora (dnf)
Expand All @@ -88,6 +89,7 @@ Dependencies
python3.9 -m pip install mpi4py numpy cython
export HDF5_DIR="/usr/lib64/openmpi/"
CC="mpicc" HDF5_MPI="ON" python3.9 -m pip install --no-binary=h5py h5py
python3.9 -m pip install "pmesh @ git+https://github.com/rainwoodman/pmesh"

.. group-tab:: Mac OSX (brew)

Expand All @@ -112,6 +114,7 @@ Dependencies
export HDF5_DIR="/usr/local/Cellar/hdf5-mpi/1.13.0/"
CC="mpicc" HDF5_MPI="ON" python3 -m pip install --no-binary=h5py h5py
python3 -m pip install mpi4py numpy cython
python3 -m pip install "pmesh @ git+https://github.com/rainwoodman/pmesh"


.. warning::
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2 changes: 1 addition & 1 deletion requirements.txt
Original file line number Diff line number Diff line change
Expand Up @@ -7,4 +7,4 @@ tomli
cython<3
mpsort
pfft-python
pmesh @ git+https://github.com/rainwoodman/pmesh
pmesh
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