Skip to content

Commit

Permalink
Equivalent to #969
Browse files Browse the repository at this point in the history
@Iximiel I removed unrelated changes
  • Loading branch information
GiovanniBussi committed Aug 3, 2023
1 parent b126589 commit 9b9ac44
Show file tree
Hide file tree
Showing 4 changed files with 4 additions and 4 deletions.
2 changes: 1 addition & 1 deletion .github/workflows/linuxWF.yml
Original file line number Diff line number Diff line change
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
Expand Down
2 changes: 1 addition & 1 deletion docker/centos7
Original file line number Diff line number Diff line change
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

Expand Down
2 changes: 1 addition & 1 deletion docker/fedora38
Original file line number Diff line number Diff line change
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
Expand Down
2 changes: 1 addition & 1 deletion docker/rocky8
Original file line number Diff line number Diff line change
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
Expand Down

1 comment on commit 9b9ac44

@PlumedBot
Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Found broken examples in automatic/a-masterclass-22-09.txt
Found broken examples in automatic/a-masterclass-22-11.txt
Found broken examples in automatic/a-masterclass-22-12.txt
Found broken examples in automatic/performance-optimization.txt
Found broken examples in automatic/a-trieste-6.txt
Found broken examples in automatic/munster.txt
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/ENVIRONMENTSIMILARITY.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/GHBFIX.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/MAZE_MEMETIC_SAMPLING.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_RANDOM_WALK.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in MiscelaneousPP.md

Please sign in to comment.