PTEROSOR/QuantumPackage
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Force opam installation with OCaml 4.7.1

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Anthony Scemama 2019-07-24 13:05:12 +02:00 committed by GitHub
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4 changed files with 38 additions and 18 deletions
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21
GITHUB.md
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@ -2,20 +2,23 @@ GitHub Branches
=============== ===============
master: master:
The current up-to-date working branch, that users download It should The current up-to-date working branch, that users download. It should
only contain the latest release and bug fixes. only contain the latest stable release and bug fixes.
develop-lcpq: dev:
Toulouse development branch
develop-lct:
Paris development branch
develop:
It is a fork of the *master* branch with new developments that will be It is a fork of the *master* branch with new developments that will be
merged in the *master* branch for the next release. Other development merged in the *master* branch for the next release. Other development
branches should be merged on this one. branches should be merged on this one.
bugfix:
A fork of the *master* on which the bug fixes are made.
dev-lcpq:
Toulouse development branch
dev-lct:
Paris development branch
gh-pages: gh-pages:
This is an independent branch, containing only the web site of QP2. This is an independent branch, containing only the web site of QP2.

11
INSTALL.rst
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@ -328,7 +328,7 @@ OCaml
echo ${QP_ROOT}/bin echo ${QP_ROOT}/bin
${QP_ROOT}/external/opam_installer.sh --no-backup --fresh ${QP_ROOT}/external/opam_installer.sh --no-backup --fresh
You the :command:`opam` command can be installed in the :file:`${QP_ROOT}/bin` The :command:`opam` command can be installed in the :file:`${QP_ROOT}/bin`
directory. To do this, take the output of ``echo ${QP_ROOT}/bin`` and directory. To do this, take the output of ``echo ${QP_ROOT}/bin`` and
use it as an answer to where :command:`opam` should be installed. use it as an answer to where :command:`opam` should be installed.
@ -337,7 +337,14 @@ OCaml
.. code:: bash .. code:: bash
opam init --disable-sandboxing --comp=4.07.0 opam init --comp=4.07.1
eval `${QP_ROOT}/bin/opam env`
If the installation fails because of bwrap, you can initialize opam using:
.. code:: bash
opam init --disable-sandboxing --comp=4.07.1
eval `${QP_ROOT}/bin/opam env` eval `${QP_ROOT}/bin/opam env`
* Install the required external OCaml libraries * Install the required external OCaml libraries

2
README.md
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@ -5,7 +5,7 @@
[*Quantum package 2.0: an open-source determinant-driven suite of programs*](https://pubs.acs.org/doi/10.1021/acs.jctc.9b00176)\ [*Quantum package 2.0: an open-source determinant-driven suite of programs*](https://pubs.acs.org/doi/10.1021/acs.jctc.9b00176)\
Y. Garniron, K. Gasperich, T. Applencourt, A. Benali, A. Ferté, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J. P. Malrieu, M. Véril, M. Caffarel, P. F. Loos, E. Giner and A. Scemama\ Y. Garniron, K. Gasperich, T. Applencourt, A. Benali, A. Ferté, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J. P. Malrieu, M. Véril, M. Caffarel, P. F. Loos, E. Giner and A. Scemama\
J. Chem. Theory Comput., 15:6, 3591--3609, (2019)\ [J. Chem. Theory Comput. 2019, 15, 6, 3591-3609](https://doi.org/10.1021/acs.jctc.9b00176)\
https://arxiv.org/abs/1902.08154 https://arxiv.org/abs/1902.08154
``` ```

22
configure vendored
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@ -297,27 +297,37 @@ EOF
${QP_ROOT}/bin ${QP_ROOT}/bin
EOF EOF
rm ${QP_ROOT}/external/opam_installer.sh rm ${QP_ROOT}/external/opam_installer.sh
source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
${QP_ROOT}/bin/opam init --verbose --yes opam switch create ocaml-base-compiler.4.07.1
opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing
eval $(${QP_ROOT}/bin/opam env) eval $(opam env)
opam install -y ${OCAML_PACKAGES} || exit 1 opam install -y ${OCAML_PACKAGES} || exit 1
else else
# Conventional commands # Conventional commands
execute << EOF execute << EOF
chmod +x "\${QP_ROOT}"/external/opam_installer.sh chmod +x "\${QP_ROOT}"/external/opam_installer.sh
"\${QP_ROOT}"/external/opam_installer.sh --no-backup
EOF
execute << EOF
rm --force \${QP_ROOT}/bin/opam rm --force \${QP_ROOT}/bin/opam
export OPAMROOT=\${OPAMROOT:-\${QP_ROOT}/external/opam} export OPAMROOT=\${OPAMROOT:-\${QP_ROOT}/external/opam}
echo \${QP_ROOT}/bin \ echo \${QP_ROOT}/bin \
| sh \${QP_ROOT}/external/opam_installer.sh | sh \${QP_ROOT}/external/opam_installer.sh
rm \${QP_ROOT}/external/opam_installer.sh EOF
source \${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true rm \${QP_ROOT}/external/opam_installer.sh
\${QP_ROOT}/bin/opam init --verbose --yes source \${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
eval \$(\${QP_ROOT}/bin/opam env) opam switch create ocaml-base-compiler.4.07.1 || exit 1
opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing
eval $(opam env)
EOF
execute << EOF
opam install -y \${OCAML_PACKAGES} || exit 1 opam install -y \${OCAML_PACKAGES} || exit 1
EOF EOF
fi fi