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Equivalent to plumed#969
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@Iximiel I removed unrelated changes
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GiovanniBussi committed Aug 3, 2023
1 parent b126589 commit 9b9ac44
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Showing 4 changed files with 4 additions and 4 deletions.
2 changes: 1 addition & 1 deletion .github/workflows/linuxWF.yml
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Expand Up @@ -35,7 +35,7 @@ jobs:
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: 3.7
python-version: 3.9
- name: Set paths
run: |
echo "$HOME/opt/bin" >> $GITHUB_PATH
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2 changes: 1 addition & 1 deletion docker/centos7
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Expand Up @@ -10,7 +10,7 @@ RUN yum -y update \
python3 python3-devel python3-pip \
&& pip3 install pillow==8.3.2 \
&& pip3 install numpy==1.19 \
&& pip3 install cython numpy pandas mdtraj \
&& pip3 install "cython<3" numpy pandas mdtraj \
&& pip3 install "gsd<3" \
&& pip3 install MDAnalysis==1.0.0

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2 changes: 1 addition & 1 deletion docker/fedora38
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Expand Up @@ -12,7 +12,7 @@ RUN yum -y update \
&& pip3 install numpy \
&& pip3 install cython numpy pandas \
&& pip3 install MDAnalysis \
&& pip3 install git+https://github.com/mdtraj/[email protected]
&& pip3 install mdtraj

RUN useradd -ms /bin/bash plumed
USER plumed
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2 changes: 1 addition & 1 deletion docker/rocky8
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Expand Up @@ -11,7 +11,7 @@ RUN yum -y update \
python3 python3-devel python3-pip \
&& pip3 install pillow==8.3.2 \
&& pip3 install numpy==1.19 \
&& pip3 install cython numpy pandas mdtraj \
&& pip3 install "cython<3" numpy pandas mdtraj \
&& pip3 install MDAnalysis==1.0.0

RUN useradd -ms /bin/bash plumed
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